A0A077ZBG3_TRITR Loading...

ABC tran domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZBG3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 664 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M83.2Confident93.8Very high84 Ų8444.6 Ų44.641%0.41421%0.212SC..  0140.60-71.8167-71.700108S26 T27 N61 K151 N180 V182M1-S26 CarbonylContact O-C 3.51Å; M1-T27 WeakPolarHBondContact CB-OG1 3.5Å; M1-T27 HydrophobicContact CE-CG2 4.05Å; M1-T27 PolarHBondContact N-OG1 3.1Å; M1-T27 PolarHBondContact O-N 2.8Å; M1-T27 VanDerWaalsContact O-N 3.16Å; M1-T27 PolarHBondContact O-OG1 3.12Å; M1-N61 WeakPolarHBondContact CA-OD1 3.39Å; M1-N61 WeakPolarHBondContact CB-OD1 3.39Å; M1-N61 WeakPolarHBondContact CG-OD1 3.49Å; M1-K151 HydrophobicContact SD-CB 3.65Å; M1-K151 HydrophobicContact SD-CD 3.89Å; M1-K151 HydrophobicContact SD-CG 3.82Å; M1-N180 WeakPolarHBondContact CE-O 3.37Å; M1-V182 HydrophobicContact CB-CG2 3.9Å
2Q91.6Very high92.9Very high84 Ų8449.6 Ų49.639%0.39323%0.228SC..  trans-148.7154.4-176.673.3-158.622.100114.5E4 I25 N61Q2-E4 HydrophobicContact CG-CG 4.27Å; Q2-E4 PolarHBondContact NE2-OE1 3.12Å; Q2-I25 CarbonylContact C-O 3.57Å; Q2-I25 WeakPolarHBondContact CA-O 3.46Å; Q2-I25 WeakPolarHBondContact CB-O 3.41Å; Q2-N61 PolarHBondContact N-OD1 3.44Å; Q2-N61 PolarHBondContact O-N 3.14Å
3I96.4Very high92.1Very high0 Ų051.8 Ų51.80%027%0.272CS..EExtended strand (participates in β ladder)trans-112.9125.8167.3-52.6173.6000107.2I5 S24 I25 L47 R59 M60 I152 V182I3-I5 HydrophobicContact CG2-CD1 4.3Å; I3-I5 HydrophobicContact CG2-CG1 4.12Å; I3-S24 CarbonylContact O-C 3.58Å; I3-S24 WeakPolarHBondContact O-CA 3.49Å; I3-I25 HydrophobicContact CB-CB 4.16Å; I3-I25 HydrophobicContact CB-CD1 4.45Å; I3-I25 HydrophobicContact CD1-CD1 4.38Å; I3-I25 PolarHBondContact N-O 3.34Å; I3-I25 PolarHBondContact O-N 2.67Å; I3-L47 HydrophobicContact CG2-CD2 4.21Å; I3-R59 CarbonylContact C-O 3.42Å; I3-R59 WeakPolarHBondContact CA-O 3.46Å; I3-M60 HydrophobicContact CG1-CG 4.36Å; I3-M60 HydrophobicContact CG2-CE 4.28Å; I3-M60 HydrophobicContact CG2-CG 4.23Å; I3-I152 HydrophobicContact CD1-CD1 4.23Å; I3-I152 HydrophobicContact CD1-CG2 3.68Å; I3-I152 HydrophobicContact CG1-CD1 3.83Å; I3-I152 HydrophobicContact CG1-CG1 4.46Å; I3-I152 HydrophobicContact CG1-CG2 4.44Å; I3-V182 HydrophobicContact CD1-CG1 4.05Å; I3-V182 HydrophobicContact CG1-CG1 4.36Å
4E97.2Very high91.4Very high56 Ų5663.4 Ų63.426%0.26232%0.319SS..EExtended strand (participates in β ladder)trans-115.9129.4175.4-66.3172.4172.800108.8Q2 I58 R59Q2-E4 HydrophobicContact CG-CG 4.27Å; Q2-E4 PolarHBondContact NE2-OE1 3.12Å; E4-I58 CarbonylContact O-C 3.59Å; E4-I58 VanDerWaalsContact O-CA 3.3Å; E4-I58 WeakPolarHBondContact O-CA 3.45Å; E4-R59 HydrophobicContact CB-CB 4.47Å; E4-R59 PolarHBondContact N-O 2.84Å; E4-R59 PolarHBondContact O-N 3.26Å
5I97.6Very high91.1Very high0 Ų069.6 Ų69.60%034%0.344CS..EExtended strand (participates in β ladder)trans-127.5118.4178.3-57.8162.1000106.3I3 L8 I21 N22 L23 L43 L47 I58I3-I5 HydrophobicContact CG2-CD1 4.3Å; I3-I5 HydrophobicContact CG2-CG1 4.12Å; I5-L8 HydrophobicContact CG2-CB 3.5Å; I5-L8 HydrophobicContact CG2-CD2 3.79Å; I5-L8 HydrophobicContact CG2-CG 4.29Å; I5-I21 HydrophobicContact CG2-CB 4.45Å; I5-I21 HydrophobicContact CG2-CG2 4.07Å; I5-N22 VanDerWaalsContact O-CA 3.3Å; I5-N22 WeakPolarHBondContact O-CA 3.24Å; I5-L23 HydrophobicContact CB-CB 4.32Å; I5-L23 HydrophobicContact CD1-CB 4.06Å; I5-L23 HydrophobicContact CD1-CD1 4.36Å; I5-L23 PolarHBondContact N-O 2.83Å; I5-L23 PolarHBondContact O-N 3.1Å; I5-L43 HydrophobicContact CD1-CD1 4.3Å; I5-L47 HydrophobicContact CD1-CD1 4.1Å; I5-L47 HydrophobicContact CD1-CD2 3.64Å; I5-L47 HydrophobicContact CD1-CG 4.4Å; I5-L47 HydrophobicContact CG1-CD2 3.91Å; I5-I58 HydrophobicContact CG1-CG1 4.4Å; I5-I58 HydrophobicContact CG1-CG2 4.29Å; I5-I58 HydrophobicContact CG2-CG1 4.26Å
6N96.3Very high91.1Very high67 Ų6767.7 Ų67.736%0.35833%0.334SS..EExtended strand (participates in β ladder)trans-123.8121.7-177.2-59.5-37.8000109.6L8 G56 E57N6-L8 PolarHBondContact O-N 2.76Å; N6-G56 CarbonylContact O-C 3.59Å; N6-G56 WeakPolarHBondContact O-CA 3.34Å; N6-E57 HydrophobicContact CB-CB 4.45Å; N6-E57 PolarHBondContact N-O 3.04Å; N6-E57 PolarHBondContact O-N 2.95Å
7H95.2Very high91.3Very high111 Ų11165.4 Ų65.451%0.51432%0.324SS..EExtended strand (participates in β ladder)trans51.836.4175.7-56.1-67.2000115.3N9 D20 I21 N22 G56H7-N9 PolarHBondContact O-N 3Å; H7-N9 PolarHBondContact O-ND2 3.28Å; H7-D20 VanDerWaalsContact CA-OD1 3.26Å; H7-D20 WeakPolarHBondContact CA-OD1 3.45Å; H7-D20 IonicContact CE1-OD1 3.53Å; H7-D20 IonicContact CG-OD1 3.95Å; H7-D20 IonicContact ND1-OD1 3.28Å; H7-D20 PolarHBondContact ND1-OD1 2.99Å; H7-I21 PolarHBondContact N-O 3.28Å; H7-N22 PolarHBondContact N-OD1 2.98Å; H7-G56 WeakPolarHBondContact O-CA 3.46Å
8L95.9Very high91.5Very high0 Ų061.7 Ų61.70%031%0.306CS..EExtended strand (participates in β ladder)trans-71.1120.2-176.616969.8000111I5 N6 L18 D20 I21 L43 T46 T53 E55 I58I5-L8 HydrophobicContact CG2-CB 3.5Å; I5-L8 HydrophobicContact CG2-CD2 3.79Å; I5-L8 HydrophobicContact CG2-CG 4.29Å; N6-L8 PolarHBondContact O-N 2.76Å; L8-L18 HydrophobicContact CD2-CD1 4.2Å; L8-D20 PolarHBondContact O-N 2.96Å; L8-I21 HydrophobicContact CB-CB 4.09Å; L8-I21 HydrophobicContact CD2-CB 4.48Å; L8-I21 PolarHBondContact N-O 3.01Å; L8-I21 PolarHBondContact O-N 3.27Å; L8-L43 HydrophobicContact CD2-CD1 3.52Å; L8-T46 HydrophobicContact CD1-CG2 4.32Å; L8-T53 HydrophobicContact CD1-CG2 3.72Å; L8-E55 WeakPolarHBondContact CA-O 3.25Å; L8-E55 WeakPolarHBondContact CD1-O 3.43Å; L8-I58 HydrophobicContact CD1-CD1 3.98Å; L8-I58 HydrophobicContact CD1-CG1 4.49Å; L8-I58 HydrophobicContact CD2-CD1 3.91Å; L8-I58 HydrophobicContact CG-CD1 4.49Å
9N94.2Very high91.6Very high26 Ų2662.3 Ų62.314%0.13931%0.305CS..EExtended strand (participates in β ladder)trans-118.5133.3170.1-61.9-91.5000109.3H7 Y11 Q16 L18 Y19 D20 E55H7-N9 PolarHBondContact O-N 3Å; H7-N9 PolarHBondContact O-ND2 3.28Å; N9-Y11 HydrophobicContact CB-CE2 3.93Å; N9-Q16 PolarHBondContact OD1-NE2 3.37Å; N9-L18 WeakPolarHBondContact CA-O 3.29Å; N9-Y19 WeakPolarHBondContact OD1-CA 3.35Å; N9-D20 PolarHBondContact OD1-N 3.35Å; N9-E55 HydrophobicContact CB-CB 4.12Å; N9-E55 PolarHBondContact N-O 3.47Å; N9-E55 PolarHBondContact O-N 2.86Å
10Q93.2Very high91.7Very high4 Ų463.3 Ų63.32%0.01931%0.312CS..EExtended strand (participates in β ladder)trans-130.2136.4-174.9-167.267.84.900111.7V17 L18 T42 T46 P52 N54Q10-V17 PolarHBondContact O-N 3.27Å; Q10-L18 HydrophobicContact CB-CB 3.78Å; Q10-L18 HydrophobicContact CB-CD1 3.77Å; Q10-L18 HydrophobicContact CB-CG 3.88Å; Q10-L18 HydrophobicContact CG-CD1 4.47Å; Q10-L18 PolarHBondContact N-O 2.92Å; Q10-L18 VanDerWaalsContact N-O 3.13Å; Q10-L18 PolarHBondContact O-N 3.03Å; Q10-T42 HydrophobicContact CB-CG2 4.32Å; Q10-T42 HydrophobicContact CG-CG2 3.7Å; Q10-T46 PolarHBondContact NE2-OG1 2.94Å; Q10-P52 PolarHBondContact NE2-O 3.34Å; Q10-P52 PolarHBondContact OE1-O 3.27Å; Q10-N54 PolarHBondContact NE2-OD1 2.62Å; Q10-N54 PolarHBondContact OE1-OD1 3.27Å; Q10-N54 VanDerWaalsContact OE1-OD1 3.11Å
11Y91Very high91.9Very high59 Ų5960.3 Ų60.323%0.23130%0.297CS..EExtended strand (participates in β ladder)trans-124.8141-173.5-59.3-95.1000111.4N9 K15 Q16 N54 E55N9-Y11 HydrophobicContact CB-CE2 3.93Å; Y11-K15 CarbonylContact C-O 3.39Å; Y11-K15 WeakPolarHBondContact CA-O 3.01Å; Y11-Q16 HydrophobicContact CD1-CB 3.68Å; Y11-Q16 HydrophobicContact CD1-CG 4.02Å; Y11-Q16 HydrophobicContact CE1-CB 3.5Å; Y11-Q16 HydrophobicContact CE1-CG 3.62Å; Y11-Q16 PolarHBondContact OH-OE1 3.17Å; Y11-N54 HydrophobicContact CD2-CB 3.81Å; Y11-N54 HydrophobicContact CE2-CB 4.46Å; Y11-N54 PolarHBondContact N-OD1 3.26Å; Y11-N54 PolarHBondContact O-OD1 3.14Å; Y11-E55 HydrophobicContact CE2-CG 4.39Å
12Y82.9Confident92.5Very high104 Ų10459.1 Ų59.141%0.40829%0.292SS..EExtended strand (participates in β ladder)trans-109.2102.3161.9-81-84.3000108.5K14 K15 V17 T42 L51Y12-K14 PolarHBondContact O-N 2.98Å; Y12-K14 VanDerWaalsContact O-N 3.13Å; Y12-K15 PolarHBondContact N-O 2.98Å; Y12-K15 PolarHBondContact O-N 3.32Å; Y12-V17 HydrophobicContact CD2-CB 4.27Å; Y12-V17 HydrophobicContact CD2-CG2 3.65Å; Y12-V17 HydrophobicContact CE2-CG2 4.36Å; Y12-T42 HydrophobicContact CD2-CG2 4.49Å; Y12-T42 HydrophobicContact CE2-CG2 3.64Å; Y12-L51 HydrophobicContact CE1-CD2 4.22Å; Y12-L51 HydrophobicContact CE2-CD1 4.47Å; Y12-L51 WeakPolarHBondContact OH-CD1 3.45Å
13G82.4Confident92.7Very high78 Ų7855.6 Ų55.680%0.80428%0.276SS*.THydrogen-bonded Turntrans58.9-116.2-169.600000110.2
14K82.9Confident92.7Very high214 Ų21459.2 Ų59.293%0.9330%0.302SS*.THydrogen-bonded Turntrans-91.1-10.5178.3-63.1-177.6-179.9179.20114.1Y12Y12-K14 PolarHBondContact O-N 2.98Å; Y12-K14 VanDerWaalsContact O-N 3.13Å
15K86.5Confident92.6Very high157 Ų15756.6 Ų56.668%0.68329%0.289SS*.EExtended strand (participates in β ladder)trans-92.3119.6-175.4-176.8179.5179.5-178.80109.9Y11 Y12Y11-K15 CarbonylContact C-O 3.39Å; Y11-K15 WeakPolarHBondContact CA-O 3.01Å; Y12-K15 PolarHBondContact N-O 2.98Å; Y12-K15 PolarHBondContact O-N 3.32Å
16Q91.2Very high92.5Very high39 Ų3959.5 Ų59.518%0.18231%0.309CS..EExtended strand (participates in β ladder)trans-73.5134.2169.6-167165.9-300110.3N9 Y11 L18 Y19N9-Q16 PolarHBondContact OD1-NE2 3.37Å; Y11-Q16 HydrophobicContact CD1-CB 3.68Å; Y11-Q16 HydrophobicContact CD1-CG 4.02Å; Y11-Q16 HydrophobicContact CE1-CB 3.5Å; Y11-Q16 HydrophobicContact CE1-CG 3.62Å; Y11-Q16 PolarHBondContact OH-OE1 3.17Å; Q16-L18 WeakPolarHBondContact CG-O 3.37Å; Q16-L18 PolarHBondContact NE2-O 3.5Å; Q16-Y19 HydrophobicContact CB-CD1 4.38Å; Q16-Y19 HydrophobicContact CB-CE1 3.67Å; Q16-Y19 HydrophobicContact CG-CD1 3.72Å; Q16-Y19 HydrophobicContact CG-CD2 4.45Å; Q16-Y19 HydrophobicContact CG-CE1 3.51Å; Q16-Y19 HydrophobicContact CG-CE2 4.27Å; Q16-Y19 HydrophobicContact CG-CG 4.18Å; Q16-Y19 VanDerWaalsContact NE2-CD1 3.27Å; Q16-Y19 PolarHBondContact O-OH 2.63Å; Q16-Y19 VanDerWaalsContact O-OH 3.07Å
17V93.8Very high92.4Very high28 Ų2858.7 Ų58.717%0.1731%0.307CS..EExtended strand (participates in β ladder)trans-115.9-31.4179.21760000111.7Q10 Y12 T42 G206Q10-V17 PolarHBondContact O-N 3.27Å; Y12-V17 HydrophobicContact CD2-CB 4.27Å; Y12-V17 HydrophobicContact CD2-CG2 3.65Å; Y12-V17 HydrophobicContact CE2-CG2 4.36Å; V17-T42 HydrophobicContact CB-CG2 4.4Å; V17-T42 HydrophobicContact CG1-CG2 4.02Å; V17-G206 WeakPolarHBondContact O-CA 3.33Å
18L95.9Very high92.3Very high0 Ų054.2 Ų54.20%029%0.291CS..EExtended strand (participates in β ladder)trans-120.6136.3173-58.3178.7000109.6L8 N9 Q10 Q16 I21 T42 L43 L203 G206L8-L18 HydrophobicContact CD2-CD1 4.2Å; N9-L18 WeakPolarHBondContact CA-O 3.29Å; Q10-L18 HydrophobicContact CB-CB 3.78Å; Q10-L18 HydrophobicContact CB-CD1 3.77Å; Q10-L18 HydrophobicContact CB-CG 3.88Å; Q10-L18 HydrophobicContact CG-CD1 4.47Å; Q10-L18 PolarHBondContact N-O 2.92Å; Q10-L18 VanDerWaalsContact N-O 3.13Å; Q10-L18 PolarHBondContact O-N 3.03Å; Q16-L18 WeakPolarHBondContact CG-O 3.37Å; Q16-L18 PolarHBondContact NE2-O 3.5Å; L18-I21 HydrophobicContact CB-CD1 4.48Å; L18-I21 HydrophobicContact CB-CG1 3.84Å; L18-I21 HydrophobicContact CD1-CG1 4.44Å; L18-I21 HydrophobicContact CD2-CD1 4.4Å; L18-I21 HydrophobicContact CD2-CG1 4.35Å; L18-I21 HydrophobicContact CG-CG1 4.44Å; L18-T42 HydrophobicContact CD1-CG2 4.15Å; L18-T42 HydrophobicContact CG-CG2 4.22Å; L18-L43 HydrophobicContact CD1-CB 3.83Å; L18-L43 HydrophobicContact CD1-CD1 4.05Å; L18-L43 HydrophobicContact CD2-CB 4.38Å; L18-L203 HydrophobicContact CD2-CD1 4.47Å; L18-L203 HydrophobicContact CD2-CD2 4.33Å; L18-G206 CarbonylContact C-O 3.59Å; L18-G206 WeakPolarHBondContact CA-O 3.42Å
19Y94.2Very high92.2Very high72 Ų7254.7 Ų54.728%0.28229%0.293SS..EExtended strand (participates in β ladder)trans-125.3112.1-175.3-56.1-97.2000109.1N9 Q16 I21 G206 R207N9-Y19 WeakPolarHBondContact OD1-CA 3.35Å; Q16-Y19 HydrophobicContact CB-CD1 4.38Å; Q16-Y19 HydrophobicContact CB-CE1 3.67Å; Q16-Y19 HydrophobicContact CG-CD1 3.72Å; Q16-Y19 HydrophobicContact CG-CD2 4.45Å; Q16-Y19 HydrophobicContact CG-CE1 3.51Å; Q16-Y19 HydrophobicContact CG-CE2 4.27Å; Q16-Y19 HydrophobicContact CG-CG 4.18Å; Q16-Y19 VanDerWaalsContact NE2-CD1 3.27Å; Q16-Y19 PolarHBondContact O-OH 2.63Å; Q16-Y19 VanDerWaalsContact O-OH 3.07Å; Y19-I21 VanDerWaalsContact C-N 3.32Å; Y19-I21 PolarHBondContact O-N 3.24Å; Y19-G206 PolarHBondContact N-O 3.18Å; Y19-R207 HydrophobicContact CD2-CG 4.31Å; Y19-R207 HydrophobicContact CG-CG 4.31Å
20D93.7Very high92.3Very high83 Ų8353.9 Ų53.944%0.44429%0.289SS..EExtended strand (participates in β ladder)trans45.253.1172.6-168.934.5000113.5H7 L8 N9 N22H7-D20 VanDerWaalsContact CA-OD1 3.26Å; H7-D20 WeakPolarHBondContact CA-OD1 3.45Å; H7-D20 IonicContact CE1-OD1 3.53Å; H7-D20 IonicContact CG-OD1 3.95Å; H7-D20 IonicContact ND1-OD1 3.28Å; H7-D20 PolarHBondContact ND1-OD1 2.99Å; L8-D20 PolarHBondContact O-N 2.96Å; N9-D20 PolarHBondContact OD1-N 3.35Å; D20-N22 PolarHBondContact O-N 3.27Å; D20-N22 PolarHBondContact O-ND2 3.35Å; D20-N22 PolarHBondContact OD1-ND2 3.49Å; D20-N22 VanDerWaalsContact OD1-ND2 3.12Å
21I95.6Very high92.4Very high0 Ų053.7 Ų53.70%029%0.288CS..EExtended strand (participates in β ladder)trans-73.1123.3180-56.5-65.2000108.5I5 H7 L8 L18 Y19 L23 L43 L203 G206 I208I5-I21 HydrophobicContact CG2-CB 4.45Å; I5-I21 HydrophobicContact CG2-CG2 4.07Å; H7-I21 PolarHBondContact N-O 3.28Å; L8-I21 HydrophobicContact CB-CB 4.09Å; L8-I21 HydrophobicContact CD2-CB 4.48Å; L8-I21 PolarHBondContact N-O 3.01Å; L8-I21 PolarHBondContact O-N 3.27Å; L18-I21 HydrophobicContact CB-CD1 4.48Å; L18-I21 HydrophobicContact CB-CG1 3.84Å; L18-I21 HydrophobicContact CD1-CG1 4.44Å; L18-I21 HydrophobicContact CD2-CD1 4.4Å; L18-I21 HydrophobicContact CD2-CG1 4.35Å; L18-I21 HydrophobicContact CG-CG1 4.44Å; Y19-I21 VanDerWaalsContact C-N 3.32Å; Y19-I21 PolarHBondContact O-N 3.24Å; I21-L23 HydrophobicContact CG2-CD1 4.02Å; I21-L23 HydrophobicContact CG2-CG 4.13Å; I21-L43 HydrophobicContact CG2-CD1 4.31Å; I21-L43 HydrophobicContact CG2-CD2 4.4Å; I21-L203 HydrophobicContact CD1-CD1 3.58Å; I21-G206 VanDerWaalsContact CD1-O 3.26Å; I21-G206 WeakPolarHBondContact CD1-O 3.49Å; I21-I208 HydrophobicContact CD1-CD1 4.18Å; I21-I208 HydrophobicContact CD1-CG1 3.85Å; I21-I208 HydrophobicContact CG2-CD1 4.33Å; I21-I208 HydrophobicContact CG2-CG1 3.97Å
22N95.2Very high92.6Very high59 Ų5950.9 Ų50.932%0.31628%0.277SS..EExtended strand (participates in β ladder)trans-125.5118.5175.2-68.1-79.7000108.5I5 H7 D20I5-N22 VanDerWaalsContact O-CA 3.3Å; I5-N22 WeakPolarHBondContact O-CA 3.24Å; H7-N22 PolarHBondContact N-OD1 2.98Å; D20-N22 PolarHBondContact O-N 3.27Å; D20-N22 PolarHBondContact O-ND2 3.35Å; D20-N22 PolarHBondContact OD1-ND2 3.49Å; D20-N22 VanDerWaalsContact OD1-ND2 3.12Å
23L96.3Very high93.1Very high10 Ų1046 Ų465%0.05226%0.258CS..EExtended strand (participates in β ladder)trans-151.7140.7-176.3-73.3177.7000110.7I5 I21 F30 L43 A201 I208 S211I5-L23 HydrophobicContact CB-CB 4.32Å; I5-L23 HydrophobicContact CD1-CB 4.06Å; I5-L23 HydrophobicContact CD1-CD1 4.36Å; I5-L23 PolarHBondContact N-O 2.83Å; I5-L23 PolarHBondContact O-N 3.1Å; I21-L23 HydrophobicContact CG2-CD1 4.02Å; I21-L23 HydrophobicContact CG2-CG 4.13Å; L23-F30 HydrophobicContact CD2-CZ 4.43Å; L23-L43 HydrophobicContact CD1-CD2 4.18Å; L23-A201 HydrophobicContact CD1-CB 4.4Å; L23-A201 HydrophobicContact CD2-CB 3.62Å; L23-I208 HydrophobicContact CD1-CD1 3.85Å; L23-I208 HydrophobicContact CD1-CG1 4.29Å; L23-I208 HydrophobicContact CD2-CD1 4.12Å; L23-I208 HydrophobicContact CD2-CG1 4.07Å; L23-I208 HydrophobicContact CD2-CG2 4.13Å; L23-I208 HydrophobicContact CG-CD1 4.15Å; L23-I208 HydrophobicContact CG-CG1 4.07Å; L23-S211 VanDerWaalsContact CD2-OG 3.29Å; L23-S211 WeakPolarHBondContact CD2-OG 3.44Å
24S95.5Very high93.5Very high77 Ų7742.2 Ų42.254%0.53822%0.219SC..EExtended strand (participates in β ladder)trans-125.2123.6169.1-174.80000108.8I3I3-S24 CarbonylContact O-C 3.58Å; I3-S24 WeakPolarHBondContact O-CA 3.49Å
25I96.2Very high93.7Very high1 Ų139 Ų391%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-122.7116.4-174.2-55166.1000108Q2 I3 F30 V182 L184Q2-I25 CarbonylContact C-O 3.57Å; Q2-I25 WeakPolarHBondContact CA-O 3.46Å; Q2-I25 WeakPolarHBondContact CB-O 3.41Å; I3-I25 HydrophobicContact CB-CB 4.16Å; I3-I25 HydrophobicContact CB-CD1 4.45Å; I3-I25 HydrophobicContact CD1-CD1 4.38Å; I3-I25 PolarHBondContact N-O 3.34Å; I3-I25 PolarHBondContact O-N 2.67Å; I25-F30 HydrophobicContact CB-CD2 4.28Å; I25-F30 HydrophobicContact CB-CG 4.42Å; I25-F30 HydrophobicContact CD1-CD1 4.19Å; I25-F30 HydrophobicContact CD1-CE1 4.29Å; I25-F30 HydrophobicContact CD1-CG 4.47Å; I25-F30 HydrophobicContact CG1-CD1 4.13Å; I25-F30 HydrophobicContact CG1-CD2 3.98Å; I25-F30 HydrophobicContact CG1-CE1 4.15Å; I25-F30 HydrophobicContact CG1-CE2 4Å; I25-F30 HydrophobicContact CG1-CG 4.04Å; I25-F30 HydrophobicContact CG1-CZ 4.08Å; I25-F30 HydrophobicContact CG2-CB 3.55Å; I25-F30 HydrophobicContact CG2-CD1 4.41Å; I25-F30 HydrophobicContact CG2-CD2 3.82Å; I25-F30 HydrophobicContact CG2-CG 3.68Å; I25-V182 HydrophobicContact CG2-CG1 3.66Å; I25-L184 HydrophobicContact CD1-CD1 4.05Å; I25-L184 HydrophobicContact CD1-CD2 4.1Å
26S93.9Very high93.7Very high60 Ų6037.9 Ų37.942%0.4220%0.203SC..  trans-93.5-176.8178.857.30000112.2M1M1-S26 CarbonylContact O-C 3.51Å
27T94.2Very high93.5Very high50 Ų5039.8 Ų39.831%0.30723%0.233SC..SBendtrans-66.2144.6176.6-52.60000110.3M1M1-T27 WeakPolarHBondContact CB-OG1 3.5Å; M1-T27 HydrophobicContact CE-CG2 4.05Å; M1-T27 PolarHBondContact N-OG1 3.1Å; M1-T27 PolarHBondContact O-N 2.8Å; M1-T27 VanDerWaalsContact O-N 3.16Å; M1-T27 PolarHBondContact O-OG1 3.12Å
28G93.8Very high93.3Very high18 Ų1838.6 Ų38.619%0.18623%0.226CC..EExtended strand (participates in β ladder)trans112.5-174.4-167.200000111.6S178 K181 V183G28-S178 WeakPolarHBondContact CA-O 3.41Å; G28-S178 PolarHBondContact N-O 2.96Å; G28-K181 PolarHBondContact N-O 3.4Å; G28-V183 PolarHBondContact O-N 3.4Å
29M93.6Very high93.2Very high9 Ų938.9 Ų38.94%0.04423%0.229CC..EExtended strand (participates in β ladder)trans-93.1129.9176.9-176.3157.552.100111.5L174 V183 L185 A196 A197 E198M29-L174 HydrophobicContact SD-CB 4.22Å; M29-V183 WeakPolarHBondContact CA-O 3.48Å; M29-V183 HydrophobicContact CB-CB 4.45Å; M29-V183 HydrophobicContact CG-CB 4.45Å; M29-V183 HydrophobicContact CG-CG1 4.38Å; M29-V183 HydrophobicContact SD-CG1 4.43Å; M29-L185 HydrophobicContact SD-CD2 4.06Å; M29-A196 HydrophobicContact CE-CB 3.02Å; M29-A196 VanDerWaalsContact CE-O 3.31Å; M29-A196 WeakPolarHBondContact CE-O 3.36Å; M29-A197 HydrophobicContact CB-CB 4.39Å; M29-A197 HydrophobicContact CG-CB 4.04Å; M29-A197 WeakPolarHBondContact O-CA 3.5Å; M29-A197 WeakPolarHBondContact O-CB 3.32Å; M29-E198 PolarHBondContact O-N 2.96Å
30F95.6Very high93.2Very high9 Ų936 Ų364%0.03922%0.218CC..EExtended strand (participates in β ladder)trans-119.2124.9177.9-171.2-81.1000110.2L23 I25 V183 L184 L185 N199 A201L23-F30 HydrophobicContact CD2-CZ 4.43Å; I25-F30 HydrophobicContact CB-CD2 4.28Å; I25-F30 HydrophobicContact CB-CG 4.42Å; I25-F30 HydrophobicContact CD1-CD1 4.19Å; I25-F30 HydrophobicContact CD1-CE1 4.29Å; I25-F30 HydrophobicContact CD1-CG 4.47Å; I25-F30 HydrophobicContact CG1-CD1 4.13Å; I25-F30 HydrophobicContact CG1-CD2 3.98Å; I25-F30 HydrophobicContact CG1-CE1 4.15Å; I25-F30 HydrophobicContact CG1-CE2 4Å; I25-F30 HydrophobicContact CG1-CG 4.04Å; I25-F30 HydrophobicContact CG1-CZ 4.08Å; I25-F30 HydrophobicContact CG2-CB 3.55Å; I25-F30 HydrophobicContact CG2-CD1 4.41Å; I25-F30 HydrophobicContact CG2-CD2 3.82Å; I25-F30 HydrophobicContact CG2-CG 3.68Å; F30-V183 PolarHBondContact N-O 2.8Å; F30-L184 HydrophobicContact CB-CD1 4.48Å; F30-L184 HydrophobicContact CD1-CD1 3.57Å; F30-L184 HydrophobicContact CE1-CD1 4.3Å; F30-L184 HydrophobicContact CG-CD1 4.43Å; F30-L185 PolarHBondContact O-N 2.92Å; F30-N199 WeakPolarHBondContact CA-O 3.47Å; F30-N199 HydrophobicContact CD2-CB 3.66Å; F30-N199 HydrophobicContact CE2-CB 3.82Å; F30-A201 HydrophobicContact CE1-CB 3.72Å; F30-A201 HydrophobicContact CZ-CB 3.67Å
31G95.4Very high93.2Very high0 Ų034.1 Ų34.10%021%0.209CC..EExtended strand (participates in β ladder)trans-88.9129.517700000112.3L185 N199 V200 A201G31-L185 CarbonylContact C-O 3.58Å; G31-N199 PolarHBondContact N-O 3.49Å; G31-V200 CarbonylContact O-C 3.58Å; G31-V200 VanDerWaalsContact O-CA 3.25Å; G31-V200 WeakPolarHBondContact O-CA 3.38Å; G31-V200 WeakPolarHBondContact O-CG2 3.28Å; G31-A201 PolarHBondContact O-N 3.22Å
32L95.7Very high93.1Very high1 Ų134.8 Ų34.81%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-108.198.6165.8-178.668.2000109K40 L43 L44 L184 L185 S186 T187 A201 L203L32-K40 HydrophobicContact CD2-CB 4.09Å; L32-K40 HydrophobicContact CD2-CG 4.36Å; L32-K40 HydrophobicContact CG-CD 4.44Å; L32-K40 HydrophobicContact CG-CG 4.45Å; L32-L43 HydrophobicContact CD1-CD2 4.4Å; L32-L43 HydrophobicContact CD2-CD2 3.93Å; L32-L44 HydrophobicContact CD2-CD2 4.14Å; L32-L184 HydrophobicContact CB-CD1 4.1Å; L32-L185 PolarHBondContact N-O 3.44Å; L32-S186 WeakPolarHBondContact O-CA 2.95Å; L32-T187 PolarHBondContact O-N 3.48Å; L32-T187 VanDerWaalsContact O-N 3.11Å; L32-A201 CarbonylContact C-O 3.55Å; L32-A201 WeakPolarHBondContact CA-O 3.46Å; L32-A201 HydrophobicContact CD1-CB 4.1Å; L32-L203 HydrophobicContact CD1-CB 4.15Å
33L93.3Very high93.2Very high0 Ų032 Ų320%020%0.199CC..EExtended strand (participates in β ladder)trans-88154.6175.8-68.4-174.4000111.7T187 I193 V200 A201 I202 L203 Y283L33-T187 WeakPolarHBondContact CA-O 3.45Å; L33-T187 HydrophobicContact CD2-CG2 3.58Å; L33-T187 WeakPolarHBondContact CD2-O 3.12Å; L33-I193 HydrophobicContact CD1-CD1 3.76Å; L33-I193 HydrophobicContact CD2-CD1 3.67Å; L33-I193 HydrophobicContact CD2-CG1 4.22Å; L33-I193 HydrophobicContact CG-CD1 3.57Å; L33-V200 HydrophobicContact CB-CG2 4.35Å; L33-V200 HydrophobicContact CD1-CG2 3.9Å; L33-V200 HydrophobicContact CG-CG2 3.77Å; L33-A201 PolarHBondContact N-O 3.48Å; L33-I202 HydrophobicContact CB-CG1 4.04Å; L33-I202 HydrophobicContact CD1-CG1 4.44Å; L33-I202 WeakPolarHBondContact O-CA 3.36Å; L33-L203 PolarHBondContact O-N 3.03Å; L33-Y283 HydrophobicContact CD1-CD2 4.38Å; L33-Y283 HydrophobicContact CD1-CG 4.34Å
34G91.5Very high93.2Very high0 Ų031.6 Ų31.60%020%0.197CC..  trans163.7157.8174.500000112.1K40 L203G34-K40 PolarHBondContact O-NZ 3.44Å; G34-L203 WeakPolarHBondContact CA-O 3.5Å
35R87.6Confident93.2Very high146 Ų14631.5 Ų31.555%0.55119%0.187SC*.  trans-69.5166.2178.9-62173.472.8-171.55111.4G37 A38 E204 Y283 L287R35-G37 PolarHBondContact O-N 3.17Å; R35-A38 WeakPolarHBondContact O-CB 3.21Å; R35-A38 PolarHBondContact O-N 3.3Å; R35-A38 VanDerWaalsContact O-N 3.09Å; R35-E204 WeakPolarHBondContact CD-OE1 2.99Å; R35-E204 WeakPolarHBondContact CD-OE2 3.29Å; R35-E204 WeakPolarHBondContact CG-OE2 3.33Å; R35-E204 IonicContact NH1-OE1 3.66Å; R35-Y283 WeakPolarHBondContact CG-OH 3.36Å; R35-Y283 PolarHBondContact N-OH 2.99Å; R35-L287 HydrophobicContact CG-CD1 4.35Å
36N85.8Confident93.2Very high133 Ų13331.5 Ų31.571%0.71119%0.186SC*.THydrogen-bonded Turntrans-59.8129.8169.8-69.6-16000109.7
37G85.7Confident93.3Very high80 Ų8028.6 Ų28.683%0.82517%0.166SC*.THydrogen-bonded Turntrans82.92.5-176.300000115.5R35 G39R35-G37 PolarHBondContact O-N 3.17Å; G37-G39 PolarHBondContact O-N 3.27Å
38A90.4Very high93.3Very high3 Ų326.7 Ų26.73%0.02515%0.154CC..SBendtrans-67.6-13.9176.500000114.3R35 L203 G206R35-A38 WeakPolarHBondContact O-CB 3.21Å; R35-A38 PolarHBondContact O-N 3.3Å; R35-A38 VanDerWaalsContact O-N 3.09Å; A38-L203 HydrophobicContact CB-CD2 4.42Å; A38-L203 HydrophobicContact CB-CG 4.35Å; A38-L203 VanDerWaalsContact CB-O 3.26Å; A38-L203 WeakPolarHBondContact CB-O 3.31Å; A38-L203 VanDerWaalsContact O-CD2 3.22Å; A38-L203 WeakPolarHBondContact O-CD2 3.43Å; A38-L203 WeakPolarHBondContact O-CG 3.4Å; A38-G206 VanDerWaalsContact O-CA 3.29Å; A38-G206 WeakPolarHBondContact O-CA 3.39Å; A38-G206 PolarHBondContact O-N 2.7Å
39G93.1Very high93.4Very high6 Ų626.1 Ų26.16%0.06215%0.148CC..SBendtrans109.13.3-18000000115.3G37 T41 T42 L43G37-G39 PolarHBondContact O-N 3.27Å; G39-T41 PolarHBondContact O-N 3.48Å; G39-T42 WeakPolarHBondContact O-CB 3.49Å; G39-T42 PolarHBondContact O-N 3.49Å; G39-T42 VanDerWaalsContact O-N 3.07Å; G39-L43 PolarHBondContact O-N 2.98Å
40K94.4Very high93.4Very high10 Ų1030.7 Ų30.74%0.04317%0.171CC..Hα-helixtrans-53.4-56.7-175.6-52.9-165.7-53.7-92.10112.6L32 G34 T42 L43 L44 E157 S186 L203L32-K40 HydrophobicContact CD2-CB 4.09Å; L32-K40 HydrophobicContact CD2-CG 4.36Å; L32-K40 HydrophobicContact CG-CD 4.44Å; L32-K40 HydrophobicContact CG-CG 4.45Å; G34-K40 PolarHBondContact O-NZ 3.44Å; K40-T42 PolarHBondContact O-N 2.8Å; K40-L43 WeakPolarHBondContact O-CB 3.41Å; K40-L43 PolarHBondContact O-N 3.06Å; K40-L43 VanDerWaalsContact O-N 3.1Å; K40-L44 WeakPolarHBondContact O-CG 3.49Å; K40-L44 PolarHBondContact O-N 2.99Å; K40-E157 WeakPolarHBondContact CE-OE1 3.4Å; K40-E157 IonicContact NZ-OE1 3.39Å; K40-E157 PolarHBondContact NZ-OE1 2.89Å; K40-S186 WeakPolarHBondContact CE-OG 3.47Å; K40-L203 HydrophobicContact CB-CD2 4.46Å; K40-L203 HydrophobicContact CG-CD2 4Å; K40-L203 VanDerWaalsContact N-CD2 3.29Å
41T93.5Very high93.3Very high44 Ų4431.8 Ų31.827%0.2718%0.178SC..Hα-helixtrans-59.7-33.8178.3-550000112.7G39 K45 D156G39-T41 PolarHBondContact O-N 3.48Å; T41-K45 HydrophobicContact CG2-CD 3.99Å; T41-K45 HydrophobicContact CG2-CG 4.33Å; T41-K45 VanDerWaalsContact O-CB 3.29Å; T41-K45 WeakPolarHBondContact O-CB 3.45Å; T41-K45 VanDerWaalsContact O-CG 3.23Å; T41-K45 WeakPolarHBondContact O-CG 3.34Å; T41-K45 PolarHBondContact O-N 3.17Å; T41-D156 WeakPolarHBondContact CB-OD2 3.48Å; T41-D156 WeakPolarHBondContact CG2-OD2 3.41Å; T41-D156 PolarHBondContact OG1-OD2 2.82Å
42T94.7Very high93.1Very high15 Ų1536 Ų369%0.09221%0.205CC..Hα-helixtrans-65.2-48.5174.8-58.50000110.6Q10 Y12 V17 L18 G39 K40 L44 K45 T46 L51Q10-T42 HydrophobicContact CB-CG2 4.32Å; Q10-T42 HydrophobicContact CG-CG2 3.7Å; Y12-T42 HydrophobicContact CD2-CG2 4.49Å; Y12-T42 HydrophobicContact CE2-CG2 3.64Å; V17-T42 HydrophobicContact CB-CG2 4.4Å; V17-T42 HydrophobicContact CG1-CG2 4.02Å; L18-T42 HydrophobicContact CD1-CG2 4.15Å; L18-T42 HydrophobicContact CG-CG2 4.22Å; G39-T42 WeakPolarHBondContact O-CB 3.49Å; G39-T42 PolarHBondContact O-N 3.49Å; G39-T42 VanDerWaalsContact O-N 3.07Å; K40-T42 PolarHBondContact O-N 2.8Å; T42-L44 PolarHBondContact O-N 2.89Å; T42-K45 PolarHBondContact O-N 3.5Å; T42-T46 PolarHBondContact O-N 3.44Å; T42-T46 PolarHBondContact O-OG1 3.37Å; T42-T46 VanDerWaalsContact O-OG1 3.11Å; T42-L51 HydrophobicContact CG2-CD1 4.18Å
43L96.5Very high92.9Very high1 Ų136.9 Ų36.91%0.00521%0.211CC..Hα-helixtrans-57.9-50.5176.8177.559.2000110.8I5 L8 L18 I21 L23 L32 G39 K40 K45 T46 L47I5-L43 HydrophobicContact CD1-CD1 4.3Å; L8-L43 HydrophobicContact CD2-CD1 3.52Å; L18-L43 HydrophobicContact CD1-CB 3.83Å; L18-L43 HydrophobicContact CD1-CD1 4.05Å; L18-L43 HydrophobicContact CD2-CB 4.38Å; I21-L43 HydrophobicContact CG2-CD1 4.31Å; I21-L43 HydrophobicContact CG2-CD2 4.4Å; L23-L43 HydrophobicContact CD1-CD2 4.18Å; L32-L43 HydrophobicContact CD1-CD2 4.4Å; L32-L43 HydrophobicContact CD2-CD2 3.93Å; G39-L43 PolarHBondContact O-N 2.98Å; K40-L43 WeakPolarHBondContact O-CB 3.41Å; K40-L43 PolarHBondContact O-N 3.06Å; K40-L43 VanDerWaalsContact O-N 3.1Å; L43-K45 PolarHBondContact O-N 2.96Å; L43-T46 PolarHBondContact O-N 3Å; L43-L47 HydrophobicContact CD1-CD1 4.37Å; L43-L47 HydrophobicContact CD1-CG 4.35Å; L43-L47 HydrophobicContact CG-CD1 4.26Å; L43-L47 WeakPolarHBondContact O-CG 3.45Å; L43-L47 PolarHBondContact O-N 3.39Å
44L96.6Very high92.7Very high0 Ų040.6 Ų40.60%023%0.23CC..Hα-helixtrans-59.7-45.4179.4-63.7-166.4000112.3L32 K40 T42 T46 L47 V48 V154 D156 L184 S186L32-L44 HydrophobicContact CD2-CD2 4.14Å; K40-L44 WeakPolarHBondContact O-CG 3.49Å; K40-L44 PolarHBondContact O-N 2.99Å; T42-L44 PolarHBondContact O-N 2.89Å; L44-T46 VanDerWaalsContact C-N 3.3Å; L44-T46 PolarHBondContact O-N 3.49Å; L44-L47 HydrophobicContact CD2-CD1 4.46Å; L44-L47 WeakPolarHBondContact O-CB 3.38Å; L44-L47 PolarHBondContact O-N 3.45Å; L44-L47 VanDerWaalsContact O-N 3.16Å; L44-V48 WeakPolarHBondContact O-CG2 3.45Å; L44-V48 PolarHBondContact O-N 3.38Å; L44-V154 HydrophobicContact CB-CG1 4.06Å; L44-V154 HydrophobicContact CD1-CG1 3.89Å; L44-V154 HydrophobicContact CD2-CG1 3.72Å; L44-V154 HydrophobicContact CG-CG1 4.08Å; L44-D156 HydrophobicContact CD1-CB 3.66Å; L44-L184 HydrophobicContact CD2-CD2 3.46Å; L44-L184 VanDerWaalsContact CD2-CD2 3.46Å; L44-L184 HydrophobicContact CD2-CG 3.88Å; L44-S186 VanDerWaalsContact CD1-CB 3.47Å
45K95.4Very high92.8Very high76 Ų7644.5 Ų44.533%0.3325%0.249SC..Hα-helixtrans-63.4-34.5178.2-76178.2178.3178.70112.7T41 T42 L43 T49 L50 L51T41-K45 HydrophobicContact CG2-CD 3.99Å; T41-K45 HydrophobicContact CG2-CG 4.33Å; T41-K45 VanDerWaalsContact O-CB 3.29Å; T41-K45 WeakPolarHBondContact O-CB 3.45Å; T41-K45 VanDerWaalsContact O-CG 3.23Å; T41-K45 WeakPolarHBondContact O-CG 3.34Å; T41-K45 PolarHBondContact O-N 3.17Å; T42-K45 PolarHBondContact O-N 3.5Å; L43-K45 PolarHBondContact O-N 2.96Å; K45-T49 PolarHBondContact O-N 3.3Å; K45-L50 HydrophobicContact CB-CB 4.2Å; K45-L50 HydrophobicContact CG-CB 4.43Å; K45-L50 HydrophobicContact CG-CD1 4.4Å; K45-L50 WeakPolarHBondContact O-CA 3.38Å; K45-L50 PolarHBondContact O-N 3.32Å; K45-L51 HydrophobicContact CB-CD1 3.58Å; K45-L51 HydrophobicContact CB-CG 3.81Å; K45-L51 HydrophobicContact CD-CD1 4.31Å; K45-L51 PolarHBondContact O-N 2.94Å; K45-L51 VanDerWaalsContact O-N 3.09Å
46T95.8Very high93Very high0 Ų039.2 Ų39.20%024%0.239CC..Hα-helixtrans-66.1-45.5171.9-59.30000110.9L8 Q10 T42 L43 L44 V48 T49 I58L8-T46 HydrophobicContact CD1-CG2 4.32Å; Q10-T46 PolarHBondContact NE2-OG1 2.94Å; T42-T46 PolarHBondContact O-N 3.44Å; T42-T46 PolarHBondContact O-OG1 3.37Å; T42-T46 VanDerWaalsContact O-OG1 3.11Å; L43-T46 PolarHBondContact O-N 3Å; L44-T46 VanDerWaalsContact C-N 3.3Å; L44-T46 PolarHBondContact O-N 3.49Å; T46-V48 VanDerWaalsContact C-N 3.35Å; T46-V48 PolarHBondContact O-N 3.43Å; T46-T49 PolarHBondContact O-N 2.89Å; T46-I58 HydrophobicContact CG2-CD1 3.82Å
47L95.9Very high93.4Very high0 Ų037.2 Ų37.20%023%0.226CC..Hα-helixtrans-61.1-39.9177.3-66.2176.3000112.9I3 I5 L43 L44 T49 I58 M60 I65 L184I3-L47 HydrophobicContact CG2-CD2 4.21Å; I5-L47 HydrophobicContact CD1-CD1 4.1Å; I5-L47 HydrophobicContact CD1-CD2 3.64Å; I5-L47 HydrophobicContact CD1-CG 4.4Å; I5-L47 HydrophobicContact CG1-CD2 3.91Å; L43-L47 HydrophobicContact CD1-CD1 4.37Å; L43-L47 HydrophobicContact CD1-CG 4.35Å; L43-L47 HydrophobicContact CG-CD1 4.26Å; L43-L47 WeakPolarHBondContact O-CG 3.45Å; L43-L47 PolarHBondContact O-N 3.39Å; L44-L47 HydrophobicContact CD2-CD1 4.46Å; L44-L47 WeakPolarHBondContact O-CB 3.38Å; L44-L47 PolarHBondContact O-N 3.45Å; L44-L47 VanDerWaalsContact O-N 3.16Å; L47-T49 PolarHBondContact O-N 2.93Å; L47-I58 HydrophobicContact CD2-CD1 4.09Å; L47-I58 HydrophobicContact CD2-CG2 3.75Å; L47-M60 HydrophobicContact CB-CE 3.74Å; L47-M60 HydrophobicContact CD2-CE 3.87Å; L47-M60 HydrophobicContact CG-CE 4.38Å; L47-M60 WeakPolarHBondContact O-CE 3.43Å; L47-I65 WeakPolarHBondContact O-CD1 3.39Å; L47-L184 HydrophobicContact CD1-CD2 3.56Å
48V95.6Very high94Very high9 Ų933.4 Ų33.46%0.05519%0.187CC..THydrogen-bonded Turntrans-84.411.4177.8-56.90000113.4L44 T46 L50 I75 F77 V154L44-V48 WeakPolarHBondContact O-CG2 3.45Å; L44-V48 PolarHBondContact O-N 3.38Å; T46-V48 VanDerWaalsContact C-N 3.35Å; T46-V48 PolarHBondContact O-N 3.43Å; V48-L50 HydrophobicContact CG2-CB 4.15Å; V48-L50 HydrophobicContact CG2-CD1 3.71Å; V48-L50 HydrophobicContact CG2-CG 3.7Å; V48-L50 PolarHBondContact O-N 2.86Å; V48-I75 HydrophobicContact CB-CD1 4.46Å; V48-I75 HydrophobicContact CG1-CD1 3.77Å; V48-I75 HydrophobicContact CG1-CG1 4.27Å; V48-F77 HydrophobicContact CB-CB 4.33Å; V48-F77 HydrophobicContact CB-CG 4.25Å; V48-F77 HydrophobicContact CG1-CB 3.88Å; V48-F77 HydrophobicContact CG1-CD2 3.75Å; V48-F77 HydrophobicContact CG1-CE2 4.46Å; V48-F77 HydrophobicContact CG1-CG 3.85Å; V48-F77 HydrophobicContact CG2-CD1 4.01Å; V48-F77 HydrophobicContact CG2-CD2 4.24Å; V48-F77 HydrophobicContact CG2-CE1 4.18Å; V48-F77 HydrophobicContact CG2-CE2 4.41Å; V48-F77 HydrophobicContact CG2-CG 4.03Å; V48-F77 HydrophobicContact CG2-CZ 4.38Å; V48-V154 HydrophobicContact CG1-CB 3.9Å; V48-V154 HydrophobicContact CG1-CG1 4.13Å; V48-V154 HydrophobicContact CG1-CG2 3.95Å
49T95.1Very high94.2Very high7 Ų738.1 Ų38.14%0.04320%0.204CC..THydrogen-bonded Turntrans60.822.8178.272.20000114.9K45 T46 L47 I65 Q68 I71 R72K45-T49 PolarHBondContact O-N 3.3Å; T46-T49 PolarHBondContact O-N 2.89Å; L47-T49 PolarHBondContact O-N 2.93Å; T49-I65 HydrophobicContact CG2-CD1 3.72Å; T49-I65 HydrophobicContact CG2-CG1 4.21Å; T49-Q68 HydrophobicContact CG2-CB 4.38Å; T49-Q68 HydrophobicContact CG2-CG 4.09Å; T49-I71 HydrophobicContact CG2-CB 4.22Å; T49-I71 HydrophobicContact CG2-CG2 3.74Å; T49-R72 PolarHBondContact O-NH2 2.97Å; T49-R72 VanDerWaalsContact O-NH2 3.1Å; T49-R72 PolarHBondContact OG1-NE 3.21Å; T49-R72 PolarHBondContact OG1-NH2 3.21Å
50L93.2Very high94.4Very high104 Ų10437.9 Ų37.955%0.54520%0.201SC..SBendtrans-82.3-22171-69.9179.5000112K45 V48 F77K45-L50 HydrophobicContact CB-CB 4.2Å; K45-L50 HydrophobicContact CG-CB 4.43Å; K45-L50 HydrophobicContact CG-CD1 4.4Å; K45-L50 WeakPolarHBondContact O-CA 3.38Å; K45-L50 PolarHBondContact O-N 3.32Å; V48-L50 HydrophobicContact CG2-CB 4.15Å; V48-L50 HydrophobicContact CG2-CD1 3.71Å; V48-L50 HydrophobicContact CG2-CG 3.7Å; V48-L50 PolarHBondContact O-N 2.86Å; L50-F77 HydrophobicContact CD1-CD1 3.96Å; L50-F77 HydrophobicContact CD1-CE1 3.59Å; L50-F77 HydrophobicContact CD1-CZ 4.5Å
51L93.4Very high94.2Very high33 Ų3339.7 Ų39.717%0.17321%0.211CC..SBendtrans-119.6140.8167.5-64169.6000109Y12 T42 K45Y12-L51 HydrophobicContact CE1-CD2 4.22Å; Y12-L51 HydrophobicContact CE2-CD1 4.47Å; Y12-L51 WeakPolarHBondContact OH-CD1 3.45Å; T42-L51 HydrophobicContact CG2-CD1 4.18Å; K45-L51 HydrophobicContact CB-CD1 3.58Å; K45-L51 HydrophobicContact CB-CG 3.81Å; K45-L51 HydrophobicContact CD-CD1 4.31Å; K45-L51 PolarHBondContact O-N 2.94Å; K45-L51 VanDerWaalsContact O-N 3.09Å
52P91.2Very high94.2Very high87 Ų8740.5 Ų40.557%0.56523%0.228SC*.  trans-69.9140.517330.1-33.6000110.2Q10Q10-P52 PolarHBondContact NE2-O 3.34Å; Q10-P52 PolarHBondContact OE1-O 3.27Å
53T92.1Very high94.2Very high21 Ų2140.6 Ų40.613%0.12923%0.228CC..  trans-65.9130.9169.7-520000109.9L8 I58L8-T53 HydrophobicContact CD1-CG2 3.72Å; T53-I58 HydrophobicContact CG2-CD1 4.33Å
54N89.3Confident94.2Very high78 Ų7843.4 Ų43.442%0.41724%0.243SC..  trans-89.9-55.6177.4-63.5122.9000112.8Q10 Y11Q10-N54 PolarHBondContact NE2-OD1 2.62Å; Q10-N54 PolarHBondContact OE1-OD1 3.27Å; Q10-N54 VanDerWaalsContact OE1-OD1 3.11Å; Y11-N54 HydrophobicContact CD2-CB 3.81Å; Y11-N54 HydrophobicContact CE2-CB 4.46Å; Y11-N54 PolarHBondContact N-OD1 3.26Å; Y11-N54 PolarHBondContact O-OD1 3.14Å
55E92.7Very high94.1Very high82 Ų8243.7 Ų43.738%0.38324%0.244SC..EExtended strand (participates in β ladder)trans-140.1154.1177.7-55.1178171.300109.7L8 N9 Y11L8-E55 WeakPolarHBondContact CA-O 3.25Å; L8-E55 WeakPolarHBondContact CD1-O 3.43Å; N9-E55 HydrophobicContact CB-CB 4.12Å; N9-E55 PolarHBondContact N-O 3.47Å; N9-E55 PolarHBondContact O-N 2.86Å; Y11-E55 HydrophobicContact CE2-CG 4.39Å
56G92.5Very high94Very high34 Ų3446.1 Ų46.135%0.35126%0.257SS..EExtended strand (participates in β ladder)trans93.8176-176.300000113.5N6 H7N6-G56 CarbonylContact O-C 3.59Å; N6-G56 WeakPolarHBondContact O-CA 3.34Å; H7-G56 WeakPolarHBondContact O-CA 3.46Å
57E94.6Very high94Very high92 Ų9249.7 Ų49.743%0.4328%0.276SS..EExtended strand (participates in β ladder)trans-115.4138.5-178.9-64.7-172-16400110.8N6 R59N6-E57 HydrophobicContact CB-CB 4.45Å; N6-E57 PolarHBondContact N-O 3.04Å; N6-E57 PolarHBondContact O-N 2.95Å; E57-R59 IonicContact OE2-CZ 3.63Å; E57-R59 IonicContact OE2-NE 3.68Å; E57-R59 IonicContact OE2-NH2 3.89Å; E57-R59 PolarHBondContact OE2-NH2 3.34Å
58I97Very high93.8Very high0 Ų053.2 Ų53.20%029%0.292CS..EExtended strand (participates in β ladder)trans-130.7126.5172-56.3172.4000108.3E4 I5 L8 T46 L47 T53 M60 I65E4-I58 CarbonylContact O-C 3.59Å; E4-I58 VanDerWaalsContact O-CA 3.3Å; E4-I58 WeakPolarHBondContact O-CA 3.45Å; I5-I58 HydrophobicContact CG1-CG1 4.4Å; I5-I58 HydrophobicContact CG1-CG2 4.29Å; I5-I58 HydrophobicContact CG2-CG1 4.26Å; L8-I58 HydrophobicContact CD1-CD1 3.98Å; L8-I58 HydrophobicContact CD1-CG1 4.49Å; L8-I58 HydrophobicContact CD2-CD1 3.91Å; L8-I58 HydrophobicContact CG-CD1 4.49Å; T46-I58 HydrophobicContact CG2-CD1 3.82Å; L47-I58 HydrophobicContact CD2-CD1 4.09Å; L47-I58 HydrophobicContact CD2-CG2 3.75Å; T53-I58 HydrophobicContact CG2-CD1 4.33Å; I58-M60 HydrophobicContact CG2-CE 4.44Å; I58-I65 HydrophobicContact CB-CB 3.81Å; I58-I65 HydrophobicContact CB-CG1 4.25Å; I58-I65 HydrophobicContact CB-CG2 3.94Å; I58-I65 HydrophobicContact CD1-CG1 4.44Å; I58-I65 HydrophobicContact CG2-CB 4.14Å; I58-I65 HydrophobicContact CG2-CD1 4.1Å; I58-I65 HydrophobicContact CG2-CG1 4.3Å; I58-I65 WeakPolarHBondContact O-CB 3.17Å; I58-I65 PolarHBondContact O-N 3.12Å
59R96.6Very high93.7Very high102 Ų10261.5 Ų61.539%0.38533%0.328SS..EExtended strand (participates in β ladder)trans-125.7136.1176.1-61.1-177.6-172.2-178.37.8110.8I3 E4 E57 I63I3-R59 CarbonylContact C-O 3.42Å; I3-R59 WeakPolarHBondContact CA-O 3.46Å; E4-R59 HydrophobicContact CB-CB 4.47Å; E4-R59 PolarHBondContact N-O 2.84Å; E4-R59 PolarHBondContact O-N 3.26Å; E57-R59 IonicContact OE2-CZ 3.63Å; E57-R59 IonicContact OE2-NE 3.68Å; E57-R59 IonicContact OE2-NH2 3.89Å; E57-R59 PolarHBondContact OE2-NH2 3.34Å; R59-I63 CarbonylContact C-O 3.58Å; R59-I63 VanDerWaalsContact CA-O 3.27Å; R59-I63 WeakPolarHBondContact CA-O 3.26Å
60M95.5Very high93.6Very high0 Ų068 Ų680%035%0.351CS..EExtended strand (participates in β ladder)trans-122.4112.9176-61.3-171.917600109.7I3 L47 I58 G62 I63 I65 I71 I74 I75 I152I3-M60 HydrophobicContact CG1-CG 4.36Å; I3-M60 HydrophobicContact CG2-CE 4.28Å; I3-M60 HydrophobicContact CG2-CG 4.23Å; L47-M60 HydrophobicContact CB-CE 3.74Å; L47-M60 HydrophobicContact CD2-CE 3.87Å; L47-M60 HydrophobicContact CG-CE 4.38Å; L47-M60 WeakPolarHBondContact O-CE 3.43Å; I58-M60 HydrophobicContact CG2-CE 4.44Å; M60-G62 PolarHBondContact O-N 3.11Å; M60-I63 PolarHBondContact N-O 3.36Å; M60-I63 VanDerWaalsContact O-CB 3.3Å; M60-I63 WeakPolarHBondContact O-CB 3.49Å; M60-I63 PolarHBondContact O-N 3.17Å; M60-I65 HydrophobicContact CE-CD1 4.08Å; M60-I71 HydrophobicContact CB-CD1 3.69Å; M60-I71 HydrophobicContact CG-CD1 3.97Å; M60-I71 HydrophobicContact SD-CD1 4.03Å; M60-I71 HydrophobicContact SD-CG2 3.83Å; M60-I74 HydrophobicContact CB-CD1 4.19Å; M60-I75 HydrophobicContact CE-CD1 3.94Å; M60-I75 HydrophobicContact SD-CD1 3.89Å; M60-I152 HydrophobicContact CB-CD1 3.81Å; M60-I152 HydrophobicContact CG-CD1 4.11Å; M60-I152 HydrophobicContact SD-CD1 3.89Å
61N91.1Very high93.6Very high49 Ų4963 Ų6326%0.26233%0.325SS..THydrogen-bonded Turntrans50.240.9-170.6-65.9-38.4000112.3M1 Q2 I63M1-N61 WeakPolarHBondContact CA-OD1 3.39Å; M1-N61 WeakPolarHBondContact CB-OD1 3.39Å; M1-N61 WeakPolarHBondContact CG-OD1 3.49Å; Q2-N61 PolarHBondContact N-OD1 3.44Å; Q2-N61 PolarHBondContact O-N 3.14Å; N61-I63 PolarHBondContact O-N 2.93Å
62G92.5Very high93.6Very high61 Ų6167.5 Ų67.563%0.62934%0.34SS*.THydrogen-bonded Turntrans75.5-1-177.200000115.5M60M60-G62 PolarHBondContact O-N 3.11Å
63I95.5Very high93.6Very high17 Ų1766.6 Ų66.69%0.08734%0.335CS..EExtended strand (participates in β ladder)trans-87.5126.7175.7-58154.4000108.5R59 M60 N61 D67 R70 I71 I74R59-I63 CarbonylContact C-O 3.58Å; R59-I63 VanDerWaalsContact CA-O 3.27Å; R59-I63 WeakPolarHBondContact CA-O 3.26Å; M60-I63 PolarHBondContact N-O 3.36Å; M60-I63 VanDerWaalsContact O-CB 3.3Å; M60-I63 WeakPolarHBondContact O-CB 3.49Å; M60-I63 PolarHBondContact O-N 3.17Å; N61-I63 PolarHBondContact O-N 2.93Å; I63-D67 HydrophobicContact CG2-CB 4.06Å; I63-R70 HydrophobicContact CD1-CG 3.77Å; I63-R70 HydrophobicContact CG1-CG 4.33Å; I63-R70 HydrophobicContact CG2-CB 4.06Å; I63-R70 HydrophobicContact CG2-CG 4.15Å; I63-I71 HydrophobicContact CB-CD1 3.98Å; I63-I71 HydrophobicContact CG2-CD1 3.72Å; I63-I71 HydrophobicContact CG2-CG1 4.08Å; I63-I74 HydrophobicContact CD1-CD1 3.84Å
64D95.9Very high93.7Very high60 Ų6066.4 Ų66.432%0.32133%0.334SS..EExtended strand (participates in β ladder)trans-66.6140.4175.4-172.1-77.7000111.8H66 D67D64-H66 PolarHBondContact O-N 3.49Å; D64-H66 VanDerWaalsContact O-N 3.12Å; D64-H66 VanDerWaalsContact OD1-CB 3.23Å; D64-H66 WeakPolarHBondContact OD1-CB 3.36Å; D64-H66 IonicContact OD1-CD2 2.67Å; D64-H66 PolarHBondContact OD1-CD2 2.92Å; D64-H66 IonicContact OD1-CG 3.27Å; D64-H66 PolarHBondContact OD1-N 3.26Å; D64-D67 PolarHBondContact O-N 3.25Å
65I95.3Very high94Very high5 Ų563.8 Ų63.83%0.02632%0.319CS..THydrogen-bonded Turntrans-58.3-25.1-178.2-164.167.3000114L47 T49 I58 M60 D67 I71L47-I65 WeakPolarHBondContact O-CD1 3.39Å; T49-I65 HydrophobicContact CG2-CD1 3.72Å; T49-I65 HydrophobicContact CG2-CG1 4.21Å; I58-I65 HydrophobicContact CB-CB 3.81Å; I58-I65 HydrophobicContact CB-CG1 4.25Å; I58-I65 HydrophobicContact CB-CG2 3.94Å; I58-I65 HydrophobicContact CD1-CG1 4.44Å; I58-I65 HydrophobicContact CG2-CB 4.14Å; I58-I65 HydrophobicContact CG2-CD1 4.1Å; I58-I65 HydrophobicContact CG2-CG1 4.3Å; I58-I65 WeakPolarHBondContact O-CB 3.17Å; I58-I65 PolarHBondContact O-N 3.12Å; M60-I65 HydrophobicContact CE-CD1 4.08Å; I65-D67 VanDerWaalsContact C-N 3.28Å; I65-D67 PolarHBondContact O-N 3Å; I65-I71 HydrophobicContact CD1-CG1 4.47Å; I65-I71 HydrophobicContact CD1-CG2 4.2Å
66H94Very high94.1Very high128 Ų12860 Ų6059%0.59330%0.303SS*.THydrogen-bonded Turntrans-71.9-20177.4-62.8-66.1000112.7D64 Q68D64-H66 PolarHBondContact O-N 3.49Å; D64-H66 VanDerWaalsContact O-N 3.12Å; D64-H66 VanDerWaalsContact OD1-CB 3.23Å; D64-H66 WeakPolarHBondContact OD1-CB 3.36Å; D64-H66 IonicContact OD1-CD2 2.67Å; D64-H66 PolarHBondContact OD1-CD2 2.92Å; D64-H66 IonicContact OD1-CG 3.27Å; D64-H66 PolarHBondContact OD1-N 3.26Å; H66-Q68 PolarHBondContact O-N 2.86Å
67D94.4Very high94.2Very high74 Ų7460.1 Ų60.140%0.39629%0.293SS..  trans-79.464166.4-171.2-4.1000110.6I63 D64 I65 K69 R70 I71I63-D67 HydrophobicContact CG2-CB 4.06Å; D64-D67 PolarHBondContact O-N 3.25Å; I65-D67 VanDerWaalsContact C-N 3.28Å; I65-D67 PolarHBondContact O-N 3Å; D67-K69 PolarHBondContact O-N 3.06Å; D67-K69 VanDerWaalsContact O-N 3.11Å; D67-R70 HydrophobicContact CB-CB 4.39Å; D67-R70 VanDerWaalsContact CG-CB 3.46Å; D67-R70 PolarHBondContact O-N 3.36Å; D67-R70 VanDerWaalsContact O-N 3.07Å; D67-R70 WeakPolarHBondContact OD1-CB 3.45Å; D67-R70 PolarHBondContact OD1-N 3.48Å; D67-R70 VanDerWaalsContact OD2-CB 3.3Å; D67-R70 WeakPolarHBondContact OD2-CB 3.44Å; D67-I71 WeakPolarHBondContact O-CG1 3.44Å; D67-I71 PolarHBondContact O-N 3.49Å
68Q92.9Very high94.2Very high75 Ų7555.7 Ų55.735%0.3527%0.273SS..Hα-helixtrans-56.1-34-173.3-63-175.31.400112.8T49 H66 R72T49-Q68 HydrophobicContact CG2-CB 4.38Å; T49-Q68 HydrophobicContact CG2-CG 4.09Å; H66-Q68 PolarHBondContact O-N 2.86Å; Q68-R72 VanDerWaalsContact O-CB 3.24Å; Q68-R72 WeakPolarHBondContact O-CB 3.14Å; Q68-R72 WeakPolarHBondContact O-CG 3.44Å; Q68-R72 PolarHBondContact O-N 3.01Å; Q68-R72 VanDerWaalsContact OE1-NH2 3.08Å
69K92.1Very high93.9Very high183 Ų18357.6 Ų57.680%0.79629%0.285SS*.Hα-helixtrans-63.4-47.2179.6-174.3179.5-179.8-179.60110.3D67 S73D67-K69 PolarHBondContact O-N 3.06Å; D67-K69 VanDerWaalsContact O-N 3.11Å; K69-S73 PolarHBondContact O-N 3.38Å
70R93.1Very high93.4Very high143 Ų14357.6 Ų57.654%0.5429%0.29SS..Hα-helixtrans-71.4-39.3179.9-162.8177.3177.4177.2-2.9111.6I63 D67 S73I63-R70 HydrophobicContact CD1-CG 3.77Å; I63-R70 HydrophobicContact CG1-CG 4.33Å; I63-R70 HydrophobicContact CG2-CB 4.06Å; I63-R70 HydrophobicContact CG2-CG 4.15Å; D67-R70 HydrophobicContact CB-CB 4.39Å; D67-R70 VanDerWaalsContact CG-CB 3.46Å; D67-R70 PolarHBondContact O-N 3.36Å; D67-R70 VanDerWaalsContact O-N 3.07Å; D67-R70 WeakPolarHBondContact OD1-CB 3.45Å; D67-R70 PolarHBondContact OD1-N 3.48Å; D67-R70 VanDerWaalsContact OD2-CB 3.3Å; D67-R70 WeakPolarHBondContact OD2-CB 3.44Å; R70-S73 PolarHBondContact O-N 3.13Å; R70-S73 PolarHBondContact O-OG 2.74Å
71I94.5Very high92.7Very high0 Ų066 Ų660%033%0.329CS..Hα-helixtrans-59.1-50.6173.7-63.8-68.5000111.3T49 M60 I63 I65 D67 S73 I74 I75T49-I71 HydrophobicContact CG2-CB 4.22Å; T49-I71 HydrophobicContact CG2-CG2 3.74Å; M60-I71 HydrophobicContact CB-CD1 3.69Å; M60-I71 HydrophobicContact CG-CD1 3.97Å; M60-I71 HydrophobicContact SD-CD1 4.03Å; M60-I71 HydrophobicContact SD-CG2 3.83Å; I63-I71 HydrophobicContact CB-CD1 3.98Å; I63-I71 HydrophobicContact CG2-CD1 3.72Å; I63-I71 HydrophobicContact CG2-CG1 4.08Å; I65-I71 HydrophobicContact CD1-CG1 4.47Å; I65-I71 HydrophobicContact CD1-CG2 4.2Å; D67-I71 WeakPolarHBondContact O-CG1 3.44Å; D67-I71 PolarHBondContact O-N 3.49Å; I71-S73 PolarHBondContact O-N 3.33Å; I71-S73 VanDerWaalsContact O-N 3.16Å; I71-I74 WeakPolarHBondContact O-CG1 3.23Å; I71-I74 PolarHBondContact O-N 3.27Å; I71-I75 HydrophobicContact CG2-CG2 4.33Å; I71-I75 VanDerWaalsContact O-CG2 3.28Å; I71-I75 WeakPolarHBondContact O-CG2 3.45Å; I71-I75 PolarHBondContact O-N 2.94Å
72R92.8Very high92.3Very high127 Ų12765.4 Ų65.448%0.47932%0.324SS..Hα-helixtrans-60.7-25.5179.2-73173-173.9172.76113.4T49 Q68 I74T49-R72 PolarHBondContact O-NH2 2.97Å; T49-R72 VanDerWaalsContact O-NH2 3.1Å; T49-R72 PolarHBondContact OG1-NE 3.21Å; T49-R72 PolarHBondContact OG1-NH2 3.21Å; Q68-R72 VanDerWaalsContact O-CB 3.24Å; Q68-R72 WeakPolarHBondContact O-CB 3.14Å; Q68-R72 WeakPolarHBondContact O-CG 3.44Å; Q68-R72 PolarHBondContact O-N 3.01Å; Q68-R72 VanDerWaalsContact OE1-NH2 3.08Å; R72-I74 VanDerWaalsContact C-N 3.33Å
73S91.7Very high91.6Very high67 Ų6767.8 Ų67.847%0.46933%0.331SS..Hα-helixtrans-75.1-19.8175.876.30000114.1K69 R70 I71K69-S73 PolarHBondContact O-N 3.38Å; R70-S73 PolarHBondContact O-N 3.13Å; R70-S73 PolarHBondContact O-OG 2.74Å; I71-S73 PolarHBondContact O-N 3.33Å; I71-S73 VanDerWaalsContact O-N 3.16Å
74I93.9Very high91Very high18 Ų1868.4 Ų68.49%0.09233%0.334CS..Hα-helixtrans-112.2-1.6-176.764.8163.5000113.7M60 I63 I71 R72 P150 K151 I152M60-I74 HydrophobicContact CB-CD1 4.19Å; I63-I74 HydrophobicContact CD1-CD1 3.84Å; I71-I74 WeakPolarHBondContact O-CG1 3.23Å; I71-I74 PolarHBondContact O-N 3.27Å; R72-I74 VanDerWaalsContact C-N 3.33Å; I74-P150 CarbonylContact O-C 3.58Å; I74-P150 WeakPolarHBondContact O-CB 3.49Å; I74-K151 HydrophobicContact CB-CB 4.38Å; I74-K151 HydrophobicContact CG2-CD 4.45Å; I74-K151 PolarHBondContact O-N 3.26Å; I74-I152 HydrophobicContact CD1-CD1 4.32Å; I74-I152 PolarHBondContact O-N 3.41Å
75I95.3Very high90.6Very high22 Ų2270.6 Ų70.611%0.11334%0.338CS..EExtended strand (participates in β ladder)trans-119.3132-175.3-160.3162.1000111.7V48 M60 I71 I152 V154V48-I75 HydrophobicContact CB-CD1 4.46Å; V48-I75 HydrophobicContact CG1-CD1 3.77Å; V48-I75 HydrophobicContact CG1-CG1 4.27Å; M60-I75 HydrophobicContact CE-CD1 3.94Å; M60-I75 HydrophobicContact SD-CD1 3.89Å; I71-I75 HydrophobicContact CG2-CG2 4.33Å; I71-I75 VanDerWaalsContact O-CG2 3.28Å; I71-I75 WeakPolarHBondContact O-CG2 3.45Å; I71-I75 PolarHBondContact O-N 2.94Å; I75-I152 CarbonylContact C-O 3.6Å; I75-I152 VanDerWaalsContact CA-O 3.29Å; I75-I152 WeakPolarHBondContact CA-O 3.27Å; I75-I152 HydrophobicContact CD1-CG2 4.16Å; I75-I152 HydrophobicContact CG1-CB 4.16Å; I75-I152 HydrophobicContact CG1-CG2 4.05Å; I75-V154 HydrophobicContact CD1-CG2 3.82Å; I75-V154 HydrophobicContact CG1-CG2 4.11Å
76G95.3Very high90.4Very high4 Ų471.5 Ų71.54%0.04135%0.349CS..EExtended strand (participates in β ladder)trans-102.7142.3166.800000109.5A145 P150 I152 V154G76-A145 VanDerWaalsContact CA-O 3.31Å; G76-A145 WeakPolarHBondContact CA-O 3.48Å; G76-P150 VanDerWaalsContact N-CB 3.29Å; G76-I152 PolarHBondContact N-O 3.47Å; G76-V154 PolarHBondContact O-N 3.33Å
77F95.3Very high90.4Very high35 Ų3570.8 Ų70.815%0.15435%0.35CS..EExtended strand (participates in β ladder)trans-132.6128.3179.6178.7-128.2000111.4V48 L50 P79 V154 D156V48-F77 HydrophobicContact CB-CB 4.33Å; V48-F77 HydrophobicContact CB-CG 4.25Å; V48-F77 HydrophobicContact CG1-CB 3.88Å; V48-F77 HydrophobicContact CG1-CD2 3.75Å; V48-F77 HydrophobicContact CG1-CE2 4.46Å; V48-F77 HydrophobicContact CG1-CG 3.85Å; V48-F77 HydrophobicContact CG2-CD1 4.01Å; V48-F77 HydrophobicContact CG2-CD2 4.24Å; V48-F77 HydrophobicContact CG2-CE1 4.18Å; V48-F77 HydrophobicContact CG2-CE2 4.41Å; V48-F77 HydrophobicContact CG2-CG 4.03Å; V48-F77 HydrophobicContact CG2-CZ 4.38Å; L50-F77 HydrophobicContact CD1-CD1 3.96Å; L50-F77 HydrophobicContact CD1-CE1 3.59Å; L50-F77 HydrophobicContact CD1-CZ 4.5Å; F77-P79 HydrophobicContact CD1-CB 4.46Å; F77-P79 HydrophobicContact CE1-CB 3.66Å; F77-P79 HydrophobicContact CE1-CG 4.27Å; F77-P79 HydrophobicContact CZ-CB 3.8Å; F77-V154 WeakPolarHBondContact CA-O 3.38Å; F77-V154 HydrophobicContact CD2-CB 4.04Å; F77-V154 HydrophobicContact CD2-CG1 3.93Å; F77-V154 HydrophobicContact CE2-CG1 4.19Å; F77-D156 HydrophobicContact CE2-CB 4.47Å
78L93.9Very high90.5Very high0 Ų069.9 Ų69.90%034%0.344CS..EExtended strand (participates in β ladder)trans-113.9102.6169.2-179.757.6000109.6F82 R138 I142 V154 V155 D156 F170L78-F82 HydrophobicContact CD1-CB 3.85Å; L78-F82 HydrophobicContact CD1-CD2 3.66Å; L78-F82 HydrophobicContact CD1-CE2 4.39Å; L78-F82 HydrophobicContact CD1-CG 3.83Å; L78-R138 HydrophobicContact CD2-CG 4.29Å; L78-R138 VanDerWaalsContact CD2-NE 3.34Å; L78-I142 HydrophobicContact CB-CD1 4.48Å; L78-I142 HydrophobicContact CD2-CD1 3.44Å; L78-I142 VanDerWaalsContact CD2-CD1 3.44Å; L78-I142 HydrophobicContact CD2-CG1 3.7Å; L78-V154 PolarHBondContact N-O 2.96Å; L78-V155 HydrophobicContact CB-CG1 4.2Å; L78-V155 HydrophobicContact CD2-CG1 4.08Å; L78-V155 HydrophobicContact CG-CG1 4.39Å; L78-D156 PolarHBondContact O-N 3.26Å; L78-F170 HydrophobicContact CD2-CZ 4.2Å
79P91.4Very high90.7Very high40 Ų4067.1 Ų67.126%0.2633%0.332SS..  trans-68.3160.4179.627.6-35.2000112.3F77 E81 R138F77-P79 HydrophobicContact CD1-CB 4.46Å; F77-P79 HydrophobicContact CE1-CB 3.66Å; F77-P79 HydrophobicContact CE1-CG 4.27Å; F77-P79 HydrophobicContact CZ-CB 3.8Å; P79-E81 WeakPolarHBondContact CG-O 3.4Å; P79-E81 PolarHBondContact O-N 3.07Å; P79-R138 PolarHBondContact O-NH1 2.82Å; P79-R138 PolarHBondContact O-NH2 3.39Å
80Q85.5Confident90.9Very high102 Ų10258.4 Ų58.448%0.47729%0.294SS..SBendtrans-54-52.3175.6-177177.19.400111.7R138 D156 E157Q80-R138 PolarHBondContact O-NH1 2.79Å; Q80-D156 WeakPolarHBondContact CA-O 3.5Å; Q80-D156 HydrophobicContact CB-CB 4.43Å; Q80-E157 HydrophobicContact CG-CB 4.12Å
81E81.5Confident91Very high176 Ų17653.9 Ų53.982%0.82228%0.278SS*.SBendtrans-92.3103.5171-67.3-174176.800110P79P79-E81 WeakPolarHBondContact CG-O 3.4Å; P79-E81 PolarHBondContact O-N 3.07Å
82F81Confident91.2Very high36 Ų3658.7 Ų58.716%0.15830%0.3CS..  trans-99.8126.9175.9173.2-100.9000110.6L78 M84 K137 G141L78-F82 HydrophobicContact CD1-CB 3.85Å; L78-F82 HydrophobicContact CD1-CD2 3.66Å; L78-F82 HydrophobicContact CD1-CE2 4.39Å; L78-F82 HydrophobicContact CD1-CG 3.83Å; F82-M84 HydrophobicContact CE1-CB 4.46Å; F82-M84 HydrophobicContact CE1-CG 4.17Å; F82-M84 HydrophobicContact CE1-SD 4.38Å; F82-M84 HydrophobicContact CE2-CE 4.01Å; F82-M84 HydrophobicContact CE2-CG 4.04Å; F82-M84 HydrophobicContact CZ-CB 4.22Å; F82-M84 HydrophobicContact CZ-CE 3.49Å; F82-M84 VanDerWaalsContact CZ-CE 3.49Å; F82-M84 HydrophobicContact CZ-CG 3.47Å; F82-M84 VanDerWaalsContact CZ-CG 3.47Å; F82-M84 HydrophobicContact CZ-SD 3.67Å; F82-K137 HydrophobicContact CD1-CB 4.48Å; F82-K137 VanDerWaalsContact CD1-O 3.31Å; F82-K137 WeakPolarHBondContact CD1-O 3.29Å; F82-K137 WeakPolarHBondContact CE1-O 3.47Å; F82-G141 VanDerWaalsContact CE2-CA 3.48Å
83S79.1Confident91.3Very high112 Ų11252.7 Ų52.778%0.78328%0.277SS*.  trans-136.5148.7171.167.40000110.5
84M82Confident91.5Very high29 Ų2949.5 Ų49.514%0.14326%0.255CS..  trans-135.1170.8178.2-101.2-169.9-171.300109.3F82 G86 A93 L94 L97 V129 L140 Q144F82-M84 HydrophobicContact CE1-CB 4.46Å; F82-M84 HydrophobicContact CE1-CG 4.17Å; F82-M84 HydrophobicContact CE1-SD 4.38Å; F82-M84 HydrophobicContact CE2-CE 4.01Å; F82-M84 HydrophobicContact CE2-CG 4.04Å; F82-M84 HydrophobicContact CZ-CB 4.22Å; F82-M84 HydrophobicContact CZ-CE 3.49Å; F82-M84 VanDerWaalsContact CZ-CE 3.49Å; F82-M84 HydrophobicContact CZ-CG 3.47Å; F82-M84 VanDerWaalsContact CZ-CG 3.47Å; F82-M84 HydrophobicContact CZ-SD 3.67Å; M84-G86 PolarHBondContact O-N 3.24Å; M84-A93 HydrophobicContact SD-CB 3.76Å; M84-L94 HydrophobicContact CE-CD2 4.23Å; M84-L97 HydrophobicContact CE-CD1 3.69Å; M84-V129 HydrophobicContact CB-CG1 3.86Å; M84-V129 HydrophobicContact CB-CG2 4.38Å; M84-L140 HydrophobicContact CE-CG 4.17Å; M84-L140 HydrophobicContact SD-CD1 4.49Å; M84-L140 HydrophobicContact SD-CD2 3.59Å; M84-L140 VanDerWaalsContact SD-CD2 3.59Å; M84-L140 HydrophobicContact SD-CG 3.78Å; M84-Q144 HydrophobicContact CE-CB 3.27Å; M84-Q144 HydrophobicContact CE-CG 3.54Å
85Y88.8Confident91.6Very high106 Ų10650.6 Ų50.642%0.41626%0.261SS..  trans-57.394.3178.6-54.6-74.7000111.7N87 M88 Y96 L97Y85-N87 PolarHBondContact O-N 3.01Å; Y85-M88 HydrophobicContact CD2-CE 4.47Å; Y85-M88 HydrophobicContact CD2-SD 3.88Å; Y85-M88 HydrophobicContact CG-CE 4.24Å; Y85-M88 HydrophobicContact CG-SD 3.89Å; Y85-M88 WeakPolarHBondContact O-CB 3.36Å; Y85-M88 PolarHBondContact O-N 3.02Å; Y85-Y96 HydrophobicContact CD2-CD1 4.2Å; Y85-Y96 AromaticContact CE2-CD1 3.56Å; Y85-Y96 HydrophobicContact CE2-CD1 3.56Å; Y85-Y96 AromaticContact CE2-CE1 3.65Å; Y85-Y96 HydrophobicContact CE2-CE1 3.65Å; Y85-Y96 AromaticContact CZ-CE1 3.66Å; Y85-Y96 WeakPolarHBondContact OH-CE1 3.49Å; Y85-L97 HydrophobicContact CE2-CD2 4.45Å
86G90.2Very high91.6Very high25 Ų2554.1 Ų54.126%0.25827%0.274SS..THydrogen-bonded Turntrans-57.2-25.8-169.400000115.4M84 K130M84-G86 PolarHBondContact O-N 3.24Å; G86-K130 VanDerWaalsContact O-CB 3.27Å; G86-K130 WeakPolarHBondContact O-CB 3.42Å; G86-K130 WeakPolarHBondContact O-CD 3.46Å; G86-K130 WeakPolarHBondContact O-CG 3.23Å; G86-K130 PolarHBondContact O-N 3.44Å
87N94.4Very high91.5Very high113 Ų11355.5 Ų55.560%0.60428%0.28SS*.THydrogen-bonded Turntrans-87.8-13.2-179.9-70.8-35.7000114.2Y85 K130Y85-N87 PolarHBondContact O-N 3.01Å; N87-K130 PolarHBondContact OD1-NZ 3.31Å
88M95.8Very high91.4Very high54 Ų5453.9 Ų53.927%0.26627%0.273SS..SBendtrans-83.2153174.3-65.8-177.4178.800110.4Y85 Q92 A93 Y96 K128 V129Y85-M88 HydrophobicContact CD2-CE 4.47Å; Y85-M88 HydrophobicContact CD2-SD 3.88Å; Y85-M88 HydrophobicContact CG-CE 4.24Å; Y85-M88 HydrophobicContact CG-SD 3.89Å; Y85-M88 WeakPolarHBondContact O-CB 3.36Å; Y85-M88 PolarHBondContact O-N 3.02Å; M88-Q92 HydrophobicContact CB-CB 3.97Å; M88-Q92 HydrophobicContact CG-CB 4.46Å; M88-A93 HydrophobicContact CB-CB 4.26Å; M88-Y96 HydrophobicContact CE-CD2 4.4Å; M88-Y96 HydrophobicContact CE-CG 4.34Å; M88-K128 CarbonylContact O-C 3.44Å; M88-K128 VanDerWaalsContact O-CA 3.3Å; M88-K128 WeakPolarHBondContact O-CA 3.44Å; M88-V129 PolarHBondContact O-N 3.45Å
89T96.8Very high91.4Very high17 Ų1757.3 Ų57.310%0.10429%0.294CS..BIsolated β-bridgetrans-71.116116670.60000111Y91 Q92 A93 K125 N126 V127T89-Y91 PolarHBondContact O-N 3.44Å; T89-Q92 PolarHBondContact O-N 3.02Å; T89-Q92 VanDerWaalsContact O-N 3.13Å; T89-Q92 WeakPolarHBondContact OG1-CB 3.41Å; T89-Q92 VanDerWaalsContact OG1-CG 3.28Å; T89-Q92 WeakPolarHBondContact OG1-CG 3.23Å; T89-Q92 PolarHBondContact OG1-N 2.99Å; T89-Q92 VanDerWaalsContact OG1-N 3.16Å; T89-A93 WeakPolarHBondContact O-CB 3.44Å; T89-A93 PolarHBondContact O-N 3.48Å; T89-K125 WeakPolarHBondContact CB-O 3.24Å; T89-K125 PolarHBondContact OG1-O 3.03Å; T89-N126 VanDerWaalsContact CG2-O 3.24Å; T89-N126 WeakPolarHBondContact CG2-O 3.36Å; T89-V127 CarbonylContact C-O 3.47Å; T89-V127 VanDerWaalsContact CA-O 3.27Å; T89-V127 WeakPolarHBondContact CA-O 3.3Å
90A95.7Very high91.4Very high0 Ų060.5 Ų60.50%031%0.308CS..Hα-helixtrans-52.5-43.8174.700000112L94 L116 K125 V127 M132 L140A90-L94 WeakPolarHBondContact O-CG 3.49Å; A90-L94 PolarHBondContact O-N 3.23Å; A90-L116 HydrophobicContact CB-CD2 4.4Å; A90-K125 PolarHBondContact N-O 3.2Å; A90-V127 PolarHBondContact N-O 3.13Å; A90-M132 HydrophobicContact CB-CE 3.94Å; A90-M132 HydrophobicContact CB-SD 4.25Å; A90-L140 HydrophobicContact CB-CD1 3.98Å; A90-L140 HydrophobicContact CB-CD2 4.14Å
91Y97.2Very high91.5Very high49 Ų4957.7 Ų57.719%0.19230%0.3CS..Hα-helixtrans-62.7-48.5175.2-171.2-84.9000112.2T89 A93 L94 D95 I112 L116 K125T89-Y91 PolarHBondContact O-N 3.44Å; Y91-A93 VanDerWaalsContact C-N 3.33Å; Y91-A93 PolarHBondContact O-N 2.91Å; Y91-L94 PolarHBondContact O-N 3.29Å; Y91-D95 HydrophobicContact CD1-CB 4.43Å; Y91-D95 HydrophobicContact CE1-CB 4.32Å; Y91-D95 VanDerWaalsContact O-CB 3.31Å; Y91-D95 WeakPolarHBondContact O-CB 3.47Å; Y91-D95 PolarHBondContact O-N 2.79Å; Y91-I112 HydrophobicContact CD2-CG2 3.49Å; Y91-I112 VanDerWaalsContact CD2-CG2 3.49Å; Y91-I112 HydrophobicContact CE2-CB 4.22Å; Y91-I112 HydrophobicContact CE2-CG2 3.54Å; Y91-I112 HydrophobicContact CG-CG2 4.24Å; Y91-L116 HydrophobicContact CD2-CD1 3.97Å; Y91-K125 WeakPolarHBondContact CB-O 3.37Å; Y91-K125 PolarHBondContact N-O 2.78Å
92Q96.8Very high91.8Very high101 Ų10158 Ų5847%0.47230%0.301SS..Hα-helixtrans-62.3-38.9-179.6-75.2171.7-20.200112.5M88 T89 D95 Y96M88-Q92 HydrophobicContact CB-CB 3.97Å; M88-Q92 HydrophobicContact CG-CB 4.46Å; T89-Q92 PolarHBondContact O-N 3.02Å; T89-Q92 VanDerWaalsContact O-N 3.13Å; T89-Q92 WeakPolarHBondContact OG1-CB 3.41Å; T89-Q92 VanDerWaalsContact OG1-CG 3.28Å; T89-Q92 WeakPolarHBondContact OG1-CG 3.23Å; T89-Q92 PolarHBondContact OG1-N 2.99Å; T89-Q92 VanDerWaalsContact OG1-N 3.16Å; Q92-D95 PolarHBondContact O-N 3.28Å; Q92-Y96 VanDerWaalsContact O-CB 3.29Å; Q92-Y96 WeakPolarHBondContact O-CB 3.49Å; Q92-Y96 PolarHBondContact O-N 3.12Å
93A95.7Very high92.3Very high0 Ų057.8 Ų57.80%030%0.302CS..Hα-helixtrans-65.2-43.9178.200000111.6M84 M88 T89 Y91 L97 V129M84-A93 HydrophobicContact SD-CB 3.76Å; M88-A93 HydrophobicContact CB-CB 4.26Å; T89-A93 WeakPolarHBondContact O-CB 3.44Å; T89-A93 PolarHBondContact O-N 3.48Å; Y91-A93 VanDerWaalsContact C-N 3.33Å; Y91-A93 PolarHBondContact O-N 2.91Å; A93-L97 WeakPolarHBondContact O-CG 3.42Å; A93-L97 PolarHBondContact O-N 3.3Å; A93-L97 VanDerWaalsContact O-N 3.13Å; A93-V129 HydrophobicContact CB-CG2 4.26Å
94L96Very high93Very high0 Ų056.6 Ų56.60%029%0.286CS..Hα-helixtrans-67.5-40.1174.4-67.5174.4000111.9M84 A90 Y91 Y96 L97 A98 I112 L116 L140 A143 Q144 L147M84-L94 HydrophobicContact CE-CD2 4.23Å; A90-L94 WeakPolarHBondContact O-CG 3.49Å; A90-L94 PolarHBondContact O-N 3.23Å; Y91-L94 PolarHBondContact O-N 3.29Å; L94-Y96 VanDerWaalsContact C-N 3.35Å; L94-Y96 PolarHBondContact O-N 3.41Å; L94-L97 PolarHBondContact O-N 3.48Å; L94-A98 VanDerWaalsContact O-CB 3.32Å; L94-A98 WeakPolarHBondContact O-CB 3.48Å; L94-A98 PolarHBondContact O-N 3.27Å; L94-I112 HydrophobicContact CB-CD1 4.07Å; L94-I112 HydrophobicContact CB-CG1 4.01Å; L94-I112 HydrophobicContact CB-CG2 4.09Å; L94-I112 HydrophobicContact CD1-CG2 4.07Å; L94-L116 HydrophobicContact CD1-CD2 3.78Å; L94-L116 HydrophobicContact CD1-CG 3.96Å; L94-L140 HydrophobicContact CD1-CD1 3.85Å; L94-L140 HydrophobicContact CD2-CD1 4.14Å; L94-L140 HydrophobicContact CG-CD1 3.87Å; L94-A143 HydrophobicContact CD1-CB 4.11Å; L94-A143 HydrophobicContact CD2-CB 4.26Å; L94-Q144 HydrophobicContact CD2-CB 3.97Å; L94-L147 WeakPolarHBondContact O-CD2 3.26Å
95D95.9Very high93.6Very high42 Ų4261.9 Ų61.923%0.22531%0.308CS..Hα-helixtrans-61-45.5177.5-16775.2000111Y91 Q92 L97 A98 V99 R108 I112Y91-D95 HydrophobicContact CD1-CB 4.43Å; Y91-D95 HydrophobicContact CE1-CB 4.32Å; Y91-D95 VanDerWaalsContact O-CB 3.31Å; Y91-D95 WeakPolarHBondContact O-CB 3.47Å; Y91-D95 PolarHBondContact O-N 2.79Å; Q92-D95 PolarHBondContact O-N 3.28Å; D95-L97 PolarHBondContact O-N 3.28Å; D95-A98 PolarHBondContact O-N 2.84Å; D95-V99 WeakPolarHBondContact O-CG2 3.44Å; D95-V99 PolarHBondContact O-N 2.68Å; D95-R108 WeakPolarHBondContact O-CD 3.3Å; D95-R108 WeakPolarHBondContact OD1-CD 3.18Å; D95-R108 IonicContact OD1-CZ 2.71Å; D95-R108 IonicContact OD1-NE 2.67Å; D95-R108 PolarHBondContact OD1-NE 3.36Å; D95-R108 IonicContact OD1-NH2 3.11Å; D95-R108 IonicContact OD2-NE 3.53Å; D95-R108 IonicContact OD2-NH2 3.42Å; D95-I112 VanDerWaalsContact CA-CD1 3.41Å; D95-I112 HydrophobicContact CB-CD1 3.89Å
96Y94.8Very high93.9Very high95 Ų9566.5 Ų66.537%0.37333%0.325SS..Hα-helixtrans-59.3-47.9175.6-179.4-99.8000112.3Y85 M88 Q92 L94 A98 V99 L100Y85-Y96 HydrophobicContact CD2-CD1 4.2Å; Y85-Y96 AromaticContact CE2-CD1 3.56Å; Y85-Y96 HydrophobicContact CE2-CD1 3.56Å; Y85-Y96 AromaticContact CE2-CE1 3.65Å; Y85-Y96 HydrophobicContact CE2-CE1 3.65Å; Y85-Y96 AromaticContact CZ-CE1 3.66Å; Y85-Y96 WeakPolarHBondContact OH-CE1 3.49Å; M88-Y96 HydrophobicContact CE-CD2 4.4Å; M88-Y96 HydrophobicContact CE-CG 4.34Å; Q92-Y96 VanDerWaalsContact O-CB 3.29Å; Q92-Y96 WeakPolarHBondContact O-CB 3.49Å; Q92-Y96 PolarHBondContact O-N 3.12Å; L94-Y96 VanDerWaalsContact C-N 3.35Å; L94-Y96 PolarHBondContact O-N 3.41Å; Y96-A98 PolarHBondContact O-N 2.8Å; Y96-V99 PolarHBondContact O-N 2.83Å; Y96-L100 HydrophobicContact CD1-CD1 4.14Å; Y96-L100 HydrophobicContact CE1-CD1 3.57Å; Y96-L100 HydrophobicContact CE1-CG 4.3Å; Y96-L100 PolarHBondContact O-N 3.42Å
97L92.9Very high94.1Very high34 Ų3467.6 Ų67.618%0.17833%0.327CS..Hα-helixtrans-66.8-36.1178.6-68.5175.2000112.5M84 Y85 A93 L94 D95 V99 L100 S101 Q144 L147M84-L97 HydrophobicContact CE-CD1 3.69Å; Y85-L97 HydrophobicContact CE2-CD2 4.45Å; A93-L97 WeakPolarHBondContact O-CG 3.42Å; A93-L97 PolarHBondContact O-N 3.3Å; A93-L97 VanDerWaalsContact O-N 3.13Å; L94-L97 PolarHBondContact O-N 3.48Å; D95-L97 PolarHBondContact O-N 3.28Å; L97-V99 VanDerWaalsContact C-N 3.31Å; L97-V99 PolarHBondContact O-N 3.49Å; L97-L100 HydrophobicContact CD2-CD1 4.39Å; L97-L100 PolarHBondContact O-N 2.98Å; L97-S101 PolarHBondContact O-N 2.93Å; L97-S101 PolarHBondContact O-OG 3.44Å; L97-Q144 HydrophobicContact CD1-CB 4.33Å; L97-Q144 HydrophobicContact CD1-CG 3.39Å; L97-L147 HydrophobicContact CB-CD2 3.74Å
98A93.6Very high94.1Very high0 Ų063.8 Ų63.80%030%0.304CS..Hα-helixtrans-67.3-32.8176.800000112.3L94 D95 Y96 S101 E102 L103 R108 I112 L147L94-A98 VanDerWaalsContact O-CB 3.32Å; L94-A98 WeakPolarHBondContact O-CB 3.48Å; L94-A98 PolarHBondContact O-N 3.27Å; D95-A98 PolarHBondContact O-N 2.84Å; Y96-A98 PolarHBondContact O-N 2.8Å; A98-S101 CarbonylContact O-C 3.59Å; A98-S101 PolarHBondContact O-N 3.04Å; A98-E102 PolarHBondContact O-N 3.39Å; A98-L103 HydrophobicContact CB-CB 4.37Å; A98-L103 HydrophobicContact CB-CD1 3.89Å; A98-L103 WeakPolarHBondContact O-CB 3.41Å; A98-L103 PolarHBondContact O-N 2.66Å; A98-R108 HydrophobicContact CB-CB 4.31Å; A98-R108 HydrophobicContact CB-CG 3.45Å; A98-R108 VanDerWaalsContact CB-CG 3.45Å; A98-I112 HydrophobicContact CB-CD1 4.44Å; A98-L147 HydrophobicContact CB-CD1 4.15Å; A98-L147 HydrophobicContact CB-CD2 3.84Å; A98-L147 HydrophobicContact CB-CG 4.12Å
99V94.3Very high94Very high73 Ų7365.3 Ų65.344%0.44231%0.311SS..Hα-helixtrans-63.9-43.8170.4171.80000110.8D95 Y96 L97 S101 E102D95-V99 WeakPolarHBondContact O-CG2 3.44Å; D95-V99 PolarHBondContact O-N 2.68Å; Y96-V99 PolarHBondContact O-N 2.83Å; L97-V99 VanDerWaalsContact C-N 3.31Å; L97-V99 PolarHBondContact O-N 3.49Å; V99-S101 PolarHBondContact O-N 3.3Å; V99-E102 PolarHBondContact O-N 2.86Å
100L91.4Very high94Very high106 Ų10669 Ų6956%0.55533%0.333SS*.Hα-helixtrans-65.3-26.8176.4-64.6-178.8000113Y96 L97 E102Y96-L100 HydrophobicContact CD1-CD1 4.14Å; Y96-L100 HydrophobicContact CE1-CD1 3.57Å; Y96-L100 HydrophobicContact CE1-CG 4.3Å; Y96-L100 PolarHBondContact O-N 3.42Å; L97-L100 HydrophobicContact CD2-CD1 4.39Å; L97-L100 PolarHBondContact O-N 2.98Å; L100-E102 PolarHBondContact O-N 3.39Å
101S86.9Confident94Very high43 Ų4372.4 Ų72.430%0.30135%0.346SS..THydrogen-bonded Turntrans-83.59.1172.1-61.90000114.1L97 A98 V99 L103 N148L97-S101 PolarHBondContact O-N 2.93Å; L97-S101 PolarHBondContact O-OG 3.44Å; A98-S101 CarbonylContact O-C 3.59Å; A98-S101 PolarHBondContact O-N 3.04Å; V99-S101 PolarHBondContact O-N 3.3Å; S101-L103 VanDerWaalsContact C-N 3.26Å; S101-L103 PolarHBondContact O-N 3.31Å; S101-N148 WeakPolarHBondContact CB-ND2 3.26Å; S101-N148 WeakPolarHBondContact CB-OD1 3.3Å; S101-N148 PolarHBondContact OG-ND2 3.12Å; S101-N148 PolarHBondContact OG-OD1 2.95Å
102E89.4Confident94Very high182 Ų18270 Ų7085%0.8534%0.337SS*.THydrogen-bonded Turntrans61.726.8178.2-55.6178177.400114.4A98 V99 L100A98-E102 PolarHBondContact O-N 3.39Å; V99-E102 PolarHBondContact O-N 2.86Å; L100-E102 PolarHBondContact O-N 3.39Å
103L91.1Very high94Very high33 Ų3368.5 Ų68.517%0.17333%0.332CS..  trans-77130.1174.6-61.5-179.6000111.1A98 S101 R108A98-L103 HydrophobicContact CB-CB 4.37Å; A98-L103 HydrophobicContact CB-CD1 3.89Å; A98-L103 WeakPolarHBondContact O-CB 3.41Å; A98-L103 PolarHBondContact O-N 2.66Å; S101-L103 VanDerWaalsContact C-N 3.26Å; S101-L103 PolarHBondContact O-N 3.31Å; L103-R108 HydrophobicContact CB-CB 4.37Å; L103-R108 PolarHBondContact O-NH1 2.91Å
104D93.6Very high94Very high86 Ų8671 Ų7146%0.4635%0.353SS..  trans-61.6156.4175.176.984.4000111.5R106 T107 R108D104-R106 VanDerWaalsContact C-N 3.29Å; D104-R106 PolarHBondContact O-N 3.46Å; D104-R106 WeakPolarHBondContact OD1-CA 3.41Å; D104-R106 WeakPolarHBondContact OD1-CB 3.44Å; D104-R106 PolarHBondContact OD1-N 3.36Å; D104-T107 PolarHBondContact O-N 3.12Å; D104-T107 PolarHBondContact OD1-N 2.95Å; D104-T107 PolarHBondContact OD1-OG1 2.91Å; D104-T107 WeakPolarHBondContact OD2-CB 3.27Å; D104-T107 PolarHBondContact OD2-OG1 3.05Å; D104-R108 WeakPolarHBondContact O-CB 3.45Å; D104-R108 PolarHBondContact O-N 3.02Å
105K94.5Very high94Very high140 Ų14071.6 Ų71.661%0.60936%0.355SS*.Hα-helixtrans-57.8-38.6-173.2-174.7178178.9-178.70113Q109K105-Q109 WeakPolarHBondContact O-CG 3.39Å; K105-Q109 PolarHBondContact O-N 3.45Å
106R94.7Very high94Very high203 Ų20369.7 Ų69.777%0.76635%0.345SS*.Hα-helixtrans-72.9-49.4-176.7-174.7-179.4179.3178.3-0.5110.1D104 R108 Q109 T110D104-R106 VanDerWaalsContact C-N 3.29Å; D104-R106 PolarHBondContact O-N 3.46Å; D104-R106 WeakPolarHBondContact OD1-CA 3.41Å; D104-R106 WeakPolarHBondContact OD1-CB 3.44Å; D104-R106 PolarHBondContact OD1-N 3.36Å; R106-R108 VanDerWaalsContact C-N 3.29Å; R106-R108 PolarHBondContact O-N 3.46Å; R106-Q109 PolarHBondContact O-N 3.36Å; R106-T110 PolarHBondContact O-N 3Å; R106-T110 VanDerWaalsContact O-N 3.17Å; R106-T110 PolarHBondContact O-OG1 3.06Å
107T94.3Very high94Very high48 Ų4871.5 Ų71.529%0.29436%0.357SS..Hα-helixtrans-58.5-43.2176.7-610000111.3D104 T110 R111D104-T107 PolarHBondContact O-N 3.12Å; D104-T107 PolarHBondContact OD1-N 2.95Å; D104-T107 PolarHBondContact OD1-OG1 2.91Å; D104-T107 WeakPolarHBondContact OD2-CB 3.27Å; D104-T107 PolarHBondContact OD2-OG1 3.05Å; T107-T110 PolarHBondContact O-N 3.43Å; T107-R111 WeakPolarHBondContact O-CB 3.42Å; T107-R111 PolarHBondContact O-N 3.29Å
108R94.4Very high94.1Very high34 Ų3472.7 Ų72.713%0.12836%0.362CS..Hα-helixtrans-59.4-50.5178.3-178.917073.2-125.514.2112.6D95 A98 L103 D104 R106 T110 R111 I112D95-R108 WeakPolarHBondContact O-CD 3.3Å; D95-R108 WeakPolarHBondContact OD1-CD 3.18Å; D95-R108 IonicContact OD1-CZ 2.71Å; D95-R108 IonicContact OD1-NE 2.67Å; D95-R108 PolarHBondContact OD1-NE 3.36Å; D95-R108 IonicContact OD1-NH2 3.11Å; D95-R108 IonicContact OD2-NE 3.53Å; D95-R108 IonicContact OD2-NH2 3.42Å; A98-R108 HydrophobicContact CB-CB 4.31Å; A98-R108 HydrophobicContact CB-CG 3.45Å; A98-R108 VanDerWaalsContact CB-CG 3.45Å; L103-R108 HydrophobicContact CB-CB 4.37Å; L103-R108 PolarHBondContact O-NH1 2.91Å; D104-R108 WeakPolarHBondContact O-CB 3.45Å; D104-R108 PolarHBondContact O-N 3.02Å; R106-R108 VanDerWaalsContact C-N 3.29Å; R106-R108 PolarHBondContact O-N 3.46Å; R108-T110 PolarHBondContact O-N 3.37Å; R108-R111 PolarHBondContact O-N 3.02Å; R108-I112 HydrophobicContact CG-CD1 3.44Å; R108-I112 VanDerWaalsContact CG-CD1 3.44Å; R108-I112 HydrophobicContact CG-CG1 4.26Å; R108-I112 WeakPolarHBondContact O-CB 3.38Å; R108-I112 WeakPolarHBondContact O-CG1 3.49Å; R108-I112 PolarHBondContact O-N 3Å
109Q94.9Very high94Very high86 Ų8672.8 Ų72.840%0.40236%0.362SS..Hα-helixtrans-61.2-46.8-179.2-73.6-178.9-14.800112.1K105 R106 N113K105-Q109 WeakPolarHBondContact O-CG 3.39Å; K105-Q109 PolarHBondContact O-N 3.45Å; R106-Q109 PolarHBondContact O-N 3.36Å; Q109-N113 PolarHBondContact O-N 3.01Å; Q109-N113 PolarHBondContact O-ND2 3.29Å
110T96.1Very high93.9Very high94 Ų9474.2 Ų74.258%0.57737%0.367SS*.Hα-helixtrans-62.4-48178.1-60.80000111R106 T107 R108 N113 A114R106-T110 PolarHBondContact O-N 3Å; R106-T110 VanDerWaalsContact O-N 3.17Å; R106-T110 PolarHBondContact O-OG1 3.06Å; T107-T110 PolarHBondContact O-N 3.43Å; R108-T110 PolarHBondContact O-N 3.37Å; T110-N113 PolarHBondContact O-N 3.04Å; T110-A114 PolarHBondContact O-N 3.14Å; T110-A114 VanDerWaalsContact O-N 3.08Å
111R95.3Very high94.1Very high71 Ų7169.1 Ų69.127%0.26834%0.341SS..Hα-helixtrans-68.2-41.7-175.8-170.9171.1-68.6168.6-4.6112.7T107 R108 N113 A114 L115 L147T107-R111 WeakPolarHBondContact O-CB 3.42Å; T107-R111 PolarHBondContact O-N 3.29Å; R108-R111 PolarHBondContact O-N 3.02Å; R111-N113 VanDerWaalsContact C-N 3.34Å; R111-N113 PolarHBondContact O-N 3.36Å; R111-A114 PolarHBondContact O-N 3.19Å; R111-L115 HydrophobicContact CG-CD1 3.8Å; R111-L115 HydrophobicContact CG-CG 4.28Å; R111-L115 WeakPolarHBondContact O-CB 3.25Å; R111-L115 VanDerWaalsContact O-CG 3.25Å; R111-L115 WeakPolarHBondContact O-CG 3.3Å; R111-L115 PolarHBondContact O-N 3.38Å; R111-L147 WeakPolarHBondContact CD-O 3.48Å; R111-L147 PolarHBondContact NH1-O 3.05Å
112I96.9Very high94.5Very high0 Ų070.1 Ų70.10%035%0.345CS..Hα-helixtrans-62.5-43.4177.9-69.6170.7000110.9Y91 L94 D95 A98 R108 L115 L116 L147Y91-I112 HydrophobicContact CD2-CG2 3.49Å; Y91-I112 VanDerWaalsContact CD2-CG2 3.49Å; Y91-I112 HydrophobicContact CE2-CB 4.22Å; Y91-I112 HydrophobicContact CE2-CG2 3.54Å; Y91-I112 HydrophobicContact CG-CG2 4.24Å; L94-I112 HydrophobicContact CB-CD1 4.07Å; L94-I112 HydrophobicContact CB-CG1 4.01Å; L94-I112 HydrophobicContact CB-CG2 4.09Å; L94-I112 HydrophobicContact CD1-CG2 4.07Å; D95-I112 VanDerWaalsContact CA-CD1 3.41Å; D95-I112 HydrophobicContact CB-CD1 3.89Å; A98-I112 HydrophobicContact CB-CD1 4.44Å; R108-I112 HydrophobicContact CG-CD1 3.44Å; R108-I112 VanDerWaalsContact CG-CD1 3.44Å; R108-I112 HydrophobicContact CG-CG1 4.26Å; R108-I112 WeakPolarHBondContact O-CB 3.38Å; R108-I112 WeakPolarHBondContact O-CG1 3.49Å; R108-I112 PolarHBondContact O-N 3Å; I112-L115 PolarHBondContact O-N 3.07Å; I112-L116 HydrophobicContact CG2-CD1 3.77Å; I112-L116 HydrophobicContact CG2-CG 4.27Å; I112-L116 WeakPolarHBondContact O-CB 3.35Å; I112-L116 VanDerWaalsContact O-CG 3.28Å; I112-L116 WeakPolarHBondContact O-CG 3.13Å; I112-L116 PolarHBondContact O-N 3.07Å; I112-L147 HydrophobicContact CG1-CD1 3.99Å
113N96.7Very high94.9Very high69 Ų6968.5 Ų68.537%0.36934%0.341SS..Hα-helixtrans-63.7-45.1178.4-72.4-34000111.4Q109 T110 R111 L115 L116 E117Q109-N113 PolarHBondContact O-N 3.01Å; Q109-N113 PolarHBondContact O-ND2 3.29Å; T110-N113 PolarHBondContact O-N 3.04Å; R111-N113 VanDerWaalsContact C-N 3.34Å; R111-N113 PolarHBondContact O-N 3.36Å; N113-L115 PolarHBondContact O-N 3.43Å; N113-L116 PolarHBondContact O-N 3.1Å; N113-E117 WeakPolarHBondContact O-CB 3.39Å; N113-E117 PolarHBondContact O-N 3.41Å
114A96Very high95.1Very high53 Ų5369.7 Ų69.744%0.43835%0.346SS..Hα-helixtrans-61.4-42.6176.300000112.3T110 R111 E117 Q118T110-A114 PolarHBondContact O-N 3.14Å; T110-A114 VanDerWaalsContact O-N 3.08Å; R111-A114 PolarHBondContact O-N 3.19Å; A114-E117 PolarHBondContact O-N 2.74Å; A114-Q118 WeakPolarHBondContact O-CB 3.17Å; A114-Q118 PolarHBondContact O-N 2.81Å
115L95.9Very high95.2Very high11 Ų1169.1 Ų69.16%0.05834%0.339CS..Hα-helixtrans-66.4-42.3177.7-73.2168.3000112.2R111 I112 N113 E117 Q118 V119 A143 L146 L147R111-L115 HydrophobicContact CG-CD1 3.8Å; R111-L115 HydrophobicContact CG-CG 4.28Å; R111-L115 WeakPolarHBondContact O-CB 3.25Å; R111-L115 VanDerWaalsContact O-CG 3.25Å; R111-L115 WeakPolarHBondContact O-CG 3.3Å; R111-L115 PolarHBondContact O-N 3.38Å; I112-L115 PolarHBondContact O-N 3.07Å; N113-L115 PolarHBondContact O-N 3.43Å; L115-E117 VanDerWaalsContact C-N 3.25Å; L115-E117 PolarHBondContact O-N 3.04Å; L115-Q118 PolarHBondContact O-N 3.38Å; L115-V119 WeakPolarHBondContact O-CG1 3.39Å; L115-V119 WeakPolarHBondContact O-CG2 3.29Å; L115-V119 PolarHBondContact O-N 2.84Å; L115-A143 HydrophobicContact CB-CB 4.15Å; L115-L146 HydrophobicContact CD2-CB 3.6Å; L115-L146 HydrophobicContact CD2-CD1 4.31Å; L115-L147 HydrophobicContact CD1-CB 4.42Å; L115-L147 HydrophobicContact CD1-CD1 3.78Å
116L96.5Very high95.3Very high2 Ų268.1 Ų68.11%0.0134%0.34CS..Hα-helixtrans-64.2-32.6176.4-74.1172.6000112A90 Y91 L94 I112 N113 N120 L121 T122 K125A90-L116 HydrophobicContact CB-CD2 4.4Å; Y91-L116 HydrophobicContact CD2-CD1 3.97Å; L94-L116 HydrophobicContact CD1-CD2 3.78Å; L94-L116 HydrophobicContact CD1-CG 3.96Å; I112-L116 HydrophobicContact CG2-CD1 3.77Å; I112-L116 HydrophobicContact CG2-CG 4.27Å; I112-L116 WeakPolarHBondContact O-CB 3.35Å; I112-L116 VanDerWaalsContact O-CG 3.28Å; I112-L116 WeakPolarHBondContact O-CG 3.13Å; I112-L116 PolarHBondContact O-N 3.07Å; N113-L116 PolarHBondContact O-N 3.1Å; L116-N120 PolarHBondContact O-N 3.44Å; L116-L121 HydrophobicContact CD2-CB 3.92Å; L116-L121 CarbonylContact O-C 3.55Å; L116-L121 WeakPolarHBondContact O-CA 3.43Å; L116-L121 PolarHBondContact O-N 3.39Å; L116-T122 PolarHBondContact O-N 3.19Å; L116-T122 PolarHBondContact O-OG1 3.33Å; L116-K125 HydrophobicContact CD1-CB 3.75Å
117E95.7Very high95.3Very high134 Ų13460.6 Ų60.663%0.62632%0.317SS*.Hα-helixtrans-68.6-51.4171.8-175171.1-165.100111.3N113 A114 L115 V119 N120 T122N113-E117 WeakPolarHBondContact O-CB 3.39Å; N113-E117 PolarHBondContact O-N 3.41Å; A114-E117 PolarHBondContact O-N 2.74Å; L115-E117 VanDerWaalsContact C-N 3.25Å; L115-E117 PolarHBondContact O-N 3.04Å; E117-V119 VanDerWaalsContact C-N 3.27Å; E117-V119 PolarHBondContact O-N 2.78Å; E117-N120 WeakPolarHBondContact O-CA 3.21Å; E117-N120 PolarHBondContact O-N 3.08Å; E117-T122 WeakPolarHBondContact CA-OG1 3.43Å; E117-T122 PolarHBondContact N-OG1 3.08Å
118Q93.3Very high95.5Very high59 Ų5963.2 Ų63.228%0.27632%0.324SS..Hα-helixtrans-54.8-41.4178.5-168.7-178.87.400112.2A114 L115 N120 L173A114-Q118 WeakPolarHBondContact O-CB 3.17Å; A114-Q118 PolarHBondContact O-N 2.81Å; L115-Q118 PolarHBondContact O-N 3.38Å; Q118-N120 VanDerWaalsContact C-N 3.3Å; Q118-N120 PolarHBondContact O-N 3.23Å; Q118-L173 HydrophobicContact CG-CD1 3.92Å
119V92.5Very high95.4Very high1 Ų161.8 Ų61.81%0.00632%0.319CS..THydrogen-bonded Turntrans-88.510.7178.6-49.70000113.9L115 E117 L121 R139 I142 A143 L173L115-V119 WeakPolarHBondContact O-CG1 3.39Å; L115-V119 WeakPolarHBondContact O-CG2 3.29Å; L115-V119 PolarHBondContact O-N 2.84Å; E117-V119 VanDerWaalsContact C-N 3.27Å; E117-V119 PolarHBondContact O-N 2.78Å; V119-L121 HydrophobicContact CG2-CB 3.99Å; V119-L121 HydrophobicContact CG2-CD1 3.69Å; V119-L121 HydrophobicContact CG2-CG 3.82Å; V119-L121 PolarHBondContact O-N 3.3Å; V119-R139 HydrophobicContact CB-CB 4.17Å; V119-R139 HydrophobicContact CG2-CB 4.48Å; V119-R139 WeakPolarHBondContact O-CD 3.49Å; V119-R139 PolarHBondContact O-NH1 3Å; V119-I142 HydrophobicContact CG1-CB 4.45Å; V119-I142 HydrophobicContact CG1-CG2 4.2Å; V119-A143 HydrophobicContact CG1-CB 4Å; V119-A143 HydrophobicContact CG2-CB 4.02Å; V119-L173 HydrophobicContact CB-CD2 4.23Å; V119-L173 HydrophobicContact CG1-CD1 4.31Å; V119-L173 HydrophobicContact CG1-CD2 3.9Å
120N92.8Very high95.4Very high103 Ų10363.6 Ų63.655%0.55133%0.325SS*.THydrogen-bonded Turntrans55.243.2179.6-68.8-51.9000114L116 E117 Q118 R139L116-N120 PolarHBondContact O-N 3.44Å; E117-N120 WeakPolarHBondContact O-CA 3.21Å; E117-N120 PolarHBondContact O-N 3.08Å; Q118-N120 VanDerWaalsContact C-N 3.3Å; Q118-N120 PolarHBondContact O-N 3.23Å; N120-R139 PolarHBondContact O-NH1 2.67Å
121L94.9Very high95.3Very high0 Ų062.6 Ų62.60%033%0.327CS..  trans-118.67.8177.8-69.6179000113.7L116 V119 I123 H124 K125 M132 M136 R139 L140L116-L121 HydrophobicContact CD2-CB 3.92Å; L116-L121 CarbonylContact O-C 3.55Å; L116-L121 WeakPolarHBondContact O-CA 3.43Å; L116-L121 PolarHBondContact O-N 3.39Å; V119-L121 HydrophobicContact CG2-CB 3.99Å; V119-L121 HydrophobicContact CG2-CD1 3.69Å; V119-L121 HydrophobicContact CG2-CG 3.82Å; V119-L121 PolarHBondContact O-N 3.3Å; L121-I123 VanDerWaalsContact C-N 3.33Å; L121-I123 PolarHBondContact O-N 3.21Å; L121-H124 HydrophobicContact CD2-CB 4.3Å; L121-H124 CarbonylContact O-C 3.49Å; L121-H124 WeakPolarHBondContact O-CA 3.33Å; L121-H124 PolarHBondContact O-N 3.03Å; L121-K125 PolarHBondContact O-N 2.72Å; L121-M132 HydrophobicContact CD1-CE 3.95Å; L121-M132 HydrophobicContact CD2-CE 3.82Å; L121-M132 HydrophobicContact CG-CE 4.43Å; L121-M136 HydrophobicContact CD2-CB 4.13Å; L121-M136 HydrophobicContact CD2-CE 4.17Å; L121-M136 HydrophobicContact CD2-CG 4.05Å; L121-R139 HydrophobicContact CD1-CB 4.12Å; L121-R139 HydrophobicContact CG-CB 4.46Å; L121-L140 HydrophobicContact CD1-CB 3.87Å
122T96.2Very high95.2Very high64 Ų6459.5 Ų59.539%0.39332%0.316SS..G310 helixtrans-51.7-46.9179.8-55.90000113.2L116 E117 H124 K125L116-T122 PolarHBondContact O-N 3.19Å; L116-T122 PolarHBondContact O-OG1 3.33Å; E117-T122 WeakPolarHBondContact CA-OG1 3.43Å; E117-T122 PolarHBondContact N-OG1 3.08Å; T122-H124 PolarHBondContact O-N 3.42Å; T122-K125 WeakPolarHBondContact O-CB 3.06Å; T122-K125 VanDerWaalsContact O-CG 3.31Å; T122-K125 WeakPolarHBondContact O-CG 3.39Å; T122-K125 PolarHBondContact O-N 2.87Å
123I96.3Very high94.8Very high147 Ų14762.4 Ų62.475%0.75434%0.336SS*.G310 helixtrans-68.3-22.5178.161.1165.8000112.8L121L121-I123 VanDerWaalsContact C-N 3.33Å; L121-I123 PolarHBondContact O-N 3.21Å
124H95Very high94.2Very high59 Ų5961.7 Ų61.727%0.27335%0.345SS..G310 helixtrans-102.18.8-178.5-60.8-59.2000113.2L121 T122 N126 V127 M132 M136L121-H124 HydrophobicContact CD2-CB 4.3Å; L121-H124 CarbonylContact O-C 3.49Å; L121-H124 WeakPolarHBondContact O-CA 3.33Å; L121-H124 PolarHBondContact O-N 3.03Å; T122-H124 PolarHBondContact O-N 3.42Å; H124-N126 PolarHBondContact O-N 2.86Å; H124-N126 VanDerWaalsContact O-N 3.07Å; H124-V127 HydrophobicContact CB-CB 4.37Å; H124-V127 HydrophobicContact CB-CG2 4Å; H124-V127 WeakPolarHBondContact O-CB 3.47Å; H124-V127 PolarHBondContact O-N 2.84Å; H124-M132 HydrophobicContact CB-CE 4.26Å; H124-M136 HydrophobicContact CB-CE 3.65Å; H124-M136 VanDerWaalsContact CD2-CE 3.48Å; H124-M136 WeakPolarHBondContact CD2-CE 3.4Å
125K95.7Very high93.8Very high74 Ų7459.5 Ų59.532%0.32233%0.327SS..THydrogen-bonded Turntrans-56.1-30.5-176.771.8-177.3-178.8-179.80114.1T89 A90 Y91 L116 L121 T122T89-K125 WeakPolarHBondContact CB-O 3.24Å; T89-K125 PolarHBondContact OG1-O 3.03Å; A90-K125 PolarHBondContact N-O 3.2Å; Y91-K125 WeakPolarHBondContact CB-O 3.37Å; Y91-K125 PolarHBondContact N-O 2.78Å; L116-K125 HydrophobicContact CD1-CB 3.75Å; L121-K125 PolarHBondContact O-N 2.72Å; T122-K125 WeakPolarHBondContact O-CB 3.06Å; T122-K125 VanDerWaalsContact O-CG 3.31Å; T122-K125 WeakPolarHBondContact O-CG 3.39Å; T122-K125 PolarHBondContact O-N 2.87Å
126N96.6Very high93.5Very high118 Ų11860.1 Ų60.163%0.63133%0.33SS*.THydrogen-bonded Turntrans-95.91.7179.9-66.3-28.7000113.5T89 H124T89-N126 VanDerWaalsContact CG2-O 3.24Å; T89-N126 WeakPolarHBondContact CG2-O 3.36Å; H124-N126 PolarHBondContact O-N 2.86Å; H124-N126 VanDerWaalsContact O-N 3.07Å
127V96.2Very high93.3Very high45 Ų4563.3 Ų63.327%0.27334%0.344SS..SBendtrans-79.2135.3175.4179.60000108.9T89 A90 H124 A131 M132T89-V127 CarbonylContact C-O 3.47Å; T89-V127 VanDerWaalsContact CA-O 3.27Å; T89-V127 WeakPolarHBondContact CA-O 3.3Å; A90-V127 PolarHBondContact N-O 3.13Å; H124-V127 HydrophobicContact CB-CB 4.37Å; H124-V127 HydrophobicContact CB-CG2 4Å; H124-V127 WeakPolarHBondContact O-CB 3.47Å; H124-V127 PolarHBondContact O-N 2.84Å; V127-A131 HydrophobicContact CG1-CB 4.06Å; V127-M132 HydrophobicContact CG1-CG 3.99Å
128K96.6Very high92.9Very high104 Ų10457.7 Ų57.745%0.45232%0.317SS..BIsolated β-bridgetrans-65.4138.4175.1-71.8-178.6177.4174.50110.5M88 K130 A131 M132M88-K128 CarbonylContact O-C 3.44Å; M88-K128 VanDerWaalsContact O-CA 3.3Å; M88-K128 WeakPolarHBondContact O-CA 3.44Å; K128-K130 HydrophobicContact CB-CG 4.28Å; K128-K130 PolarHBondContact O-N 2.85Å; K128-K130 VanDerWaalsContact O-N 3.12Å; K128-A131 WeakPolarHBondContact O-CA 3.43Å; K128-A131 WeakPolarHBondContact O-CB 3.47Å; K128-A131 PolarHBondContact O-N 2.78Å; K128-M132 PolarHBondContact O-N 2.96Å
129V94.2Very high92.8Very high4 Ų456 Ų562%0.02431%0.308CS..G310 helixtrans-55-37.4-177.8175.40000112M84 M88 A93 A131 M132 K137 L140M84-V129 HydrophobicContact CB-CG1 3.86Å; M84-V129 HydrophobicContact CB-CG2 4.38Å; M88-V129 PolarHBondContact O-N 3.45Å; A93-V129 HydrophobicContact CB-CG2 4.26Å; V129-A131 PolarHBondContact O-N 2.73Å; V129-M132 PolarHBondContact O-N 2.93Å; V129-K137 WeakPolarHBondContact O-CE 3.45Å; V129-L140 HydrophobicContact CG1-CD2 4.41Å; V129-L140 HydrophobicContact CG2-CD2 3.69Å
130K94.2Very high92.8Very high123 Ų12356 Ų5654%0.53531%0.308SS..G310 helixtrans-62.8-25.417771.6-172-178.7-178.50114.4G86 N87 K128G86-K130 VanDerWaalsContact O-CB 3.27Å; G86-K130 WeakPolarHBondContact O-CB 3.42Å; G86-K130 WeakPolarHBondContact O-CD 3.46Å; G86-K130 WeakPolarHBondContact O-CG 3.23Å; G86-K130 PolarHBondContact O-N 3.44Å; N87-K130 PolarHBondContact OD1-NZ 3.31Å; K128-K130 HydrophobicContact CB-CG 4.28Å; K128-K130 PolarHBondContact O-N 2.85Å; K128-K130 VanDerWaalsContact O-N 3.12Å
131A94.8Very high92.9Very high73 Ų7351 Ų5160%0.60328%0.282SS*.G310 helixtrans-92.6-2.9-179.300000113.4V127 K128 V129V127-A131 HydrophobicContact CG1-CB 4.06Å; K128-A131 WeakPolarHBondContact O-CA 3.43Å; K128-A131 WeakPolarHBondContact O-CB 3.47Å; K128-A131 PolarHBondContact O-N 2.78Å; V129-A131 PolarHBondContact O-N 2.73Å
132M91.7Very high92.7Very high7 Ų751 Ų513%0.03428%0.282CS..SBendtrans-80.3148177.3-61.3-178105.700111.4A90 L121 H124 V127 K128 V129 M136 K137 L140A90-M132 HydrophobicContact CB-CE 3.94Å; A90-M132 HydrophobicContact CB-SD 4.25Å; L121-M132 HydrophobicContact CD1-CE 3.95Å; L121-M132 HydrophobicContact CD2-CE 3.82Å; L121-M132 HydrophobicContact CG-CE 4.43Å; H124-M132 HydrophobicContact CB-CE 4.26Å; V127-M132 HydrophobicContact CG1-CG 3.99Å; K128-M132 PolarHBondContact O-N 2.96Å; V129-M132 PolarHBondContact O-N 2.93Å; M132-M136 HydrophobicContact CB-CB 3.84Å; M132-M136 HydrophobicContact CB-CE 4.2Å; M132-M136 HydrophobicContact CB-SD 4.43Å; M132-M136 HydrophobicContact CE-CB 4.2Å; M132-M136 HydrophobicContact CE-CE 3.74Å; M132-M136 HydrophobicContact CG-CB 4.5Å; M132-M136 HydrophobicContact CG-CE 4.01Å; M132-K137 HydrophobicContact CB-CG 3.95Å; M132-K137 VanDerWaalsContact O-CE 3.27Å; M132-K137 WeakPolarHBondContact O-CE 3.5Å; M132-L140 HydrophobicContact SD-CD2 3.93Å
133S88.4Confident92.7Very high61 Ų6148 Ų4843%0.42726%0.263SS..  trans-65.2166.5171.575.80000111.8G135 M136 K137S133-G135 PolarHBondContact O-N 3.4Å; S133-M136 PolarHBondContact O-N 3Å; S133-M136 VanDerWaalsContact OG-CG 3.24Å; S133-M136 WeakPolarHBondContact OG-CG 3.3Å; S133-M136 PolarHBondContact OG-N 3.46Å; S133-K137 WeakPolarHBondContact O-CG 3.46Å; S133-K137 PolarHBondContact O-N 3Å
134G85.8Confident92.6Very high54 Ų5443.6 Ų43.656%0.55724%0.239SC*.Hα-helixtrans-56.2-46.4175.900000112.9K137 R138G134-K137 PolarHBondContact O-N 2.95Å; G134-R138 PolarHBondContact O-N 3.32Å
135G86.5Confident92.5Very high7 Ų741 Ų417%0.07223%0.228CC..Hα-helixtrans-62-44176.100000113.1S133 K137 R138 R139 L162S133-G135 PolarHBondContact O-N 3.4Å; G135-K137 VanDerWaalsContact C-N 3.35Å; G135-K137 PolarHBondContact O-N 3.06Å; G135-R138 PolarHBondContact O-N 2.79Å; G135-R138 VanDerWaalsContact O-N 3.14Å; G135-R139 WeakPolarHBondContact O-CG 3.2Å; G135-R139 PolarHBondContact O-N 3.48Å; G135-L162 VanDerWaalsContact CA-CD2 3.48Å
136M90.2Very high92.5Very high23 Ų2337.9 Ų37.911%0.11322%0.215CC..Hα-helixtrans-61.2-41.3175.1-71.2170.973.800112.4L121 H124 M132 S133 R138 R139 L140L121-M136 HydrophobicContact CD2-CB 4.13Å; L121-M136 HydrophobicContact CD2-CE 4.17Å; L121-M136 HydrophobicContact CD2-CG 4.05Å; H124-M136 HydrophobicContact CB-CE 3.65Å; H124-M136 VanDerWaalsContact CD2-CE 3.48Å; H124-M136 WeakPolarHBondContact CD2-CE 3.4Å; M132-M136 HydrophobicContact CB-CB 3.84Å; M132-M136 HydrophobicContact CB-CE 4.2Å; M132-M136 HydrophobicContact CB-SD 4.43Å; M132-M136 HydrophobicContact CE-CB 4.2Å; M132-M136 HydrophobicContact CE-CE 3.74Å; M132-M136 HydrophobicContact CG-CB 4.5Å; M132-M136 HydrophobicContact CG-CE 4.01Å; S133-M136 PolarHBondContact O-N 3Å; S133-M136 VanDerWaalsContact OG-CG 3.24Å; S133-M136 WeakPolarHBondContact OG-CG 3.3Å; S133-M136 PolarHBondContact OG-N 3.46Å; M136-R138 VanDerWaalsContact C-N 3.34Å; M136-R139 PolarHBondContact O-N 2.71Å; M136-L140 WeakPolarHBondContact O-CB 3.15Å; M136-L140 PolarHBondContact O-N 2.61Å
137K91Very high92.4Very high70 Ų7032.4 Ų32.430%0.30419%0.185SC..Hα-helixtrans-63.4-40.6174.6-71.8174.9-177.4168.10111.3F82 V129 M132 S133 G134 G135 L140 G141F82-K137 HydrophobicContact CD1-CB 4.48Å; F82-K137 VanDerWaalsContact CD1-O 3.31Å; F82-K137 WeakPolarHBondContact CD1-O 3.29Å; F82-K137 WeakPolarHBondContact CE1-O 3.47Å; V129-K137 WeakPolarHBondContact O-CE 3.45Å; M132-K137 HydrophobicContact CB-CG 3.95Å; M132-K137 VanDerWaalsContact O-CE 3.27Å; M132-K137 WeakPolarHBondContact O-CE 3.5Å; S133-K137 WeakPolarHBondContact O-CG 3.46Å; S133-K137 PolarHBondContact O-N 3Å; G134-K137 PolarHBondContact O-N 2.95Å; G135-K137 VanDerWaalsContact C-N 3.35Å; G135-K137 PolarHBondContact O-N 3.06Å; K137-L140 WeakPolarHBondContact O-CB 3.24Å; K137-L140 PolarHBondContact O-N 3.47Å; K137-G141 PolarHBondContact O-N 3.29Å
138R88.8Confident92.1Very high16 Ų1633.4 Ų33.46%0.0619%0.189CC..Hα-helixtrans-64.8-43.5177.4-163.275-174.1174.32112L78 P79 Q80 G134 G135 M136 L140 G141 I142 D156 P158 F170L78-R138 HydrophobicContact CD2-CG 4.29Å; L78-R138 VanDerWaalsContact CD2-NE 3.34Å; P79-R138 PolarHBondContact O-NH1 2.82Å; P79-R138 PolarHBondContact O-NH2 3.39Å; Q80-R138 PolarHBondContact O-NH1 2.79Å; G134-R138 PolarHBondContact O-N 3.32Å; G135-R138 PolarHBondContact O-N 2.79Å; G135-R138 VanDerWaalsContact O-N 3.14Å; M136-R138 VanDerWaalsContact C-N 3.34Å; R138-L140 VanDerWaalsContact C-N 3.35Å; R138-L140 PolarHBondContact O-N 3.47Å; R138-G141 WeakPolarHBondContact O-CA 3.36Å; R138-G141 PolarHBondContact O-N 2.89Å; R138-I142 PolarHBondContact O-N 3.34Å; R138-D156 PolarHBondContact NH2-O 2.82Å; R138-P158 VanDerWaalsContact CZ-CA 3.46Å; R138-P158 VanDerWaalsContact NE-CA 3.28Å; R138-P158 PolarHBondContact NE-O 2.81Å; R138-F170 HydrophobicContact CB-CE2 4.39Å; R138-F170 HydrophobicContact CG-CD2 4.09Å; R138-F170 HydrophobicContact CG-CE2 3.52Å; R138-F170 HydrophobicContact CG-CZ 4.1Å
139R90.5Very high91.9Very high23 Ų2332.9 Ų32.99%0.08719%0.191CC..Hα-helixtrans-61.5-40.7173.8-72.8-167-78.4135.2-12.7112V119 N120 L121 G135 M136 G141 I142 A143 E166 F170V119-R139 HydrophobicContact CB-CB 4.17Å; V119-R139 HydrophobicContact CG2-CB 4.48Å; V119-R139 WeakPolarHBondContact O-CD 3.49Å; V119-R139 PolarHBondContact O-NH1 3Å; N120-R139 PolarHBondContact O-NH1 2.67Å; L121-R139 HydrophobicContact CD1-CB 4.12Å; L121-R139 HydrophobicContact CG-CB 4.46Å; G135-R139 WeakPolarHBondContact O-CG 3.2Å; G135-R139 PolarHBondContact O-N 3.48Å; M136-R139 PolarHBondContact O-N 2.71Å; R139-G141 VanDerWaalsContact C-N 3.29Å; R139-G141 PolarHBondContact O-N 2.98Å; R139-I142 PolarHBondContact O-N 3.17Å; R139-A143 PolarHBondContact O-N 3.36Å; R139-A143 VanDerWaalsContact O-N 3.11Å; R139-E166 IonicContact CZ-OE1 2.73Å; R139-E166 IonicContact CZ-OE2 2.69Å; R139-E166 IonicContact NE-OE1 3.84Å; R139-E166 IonicContact NE-OE2 3.01Å; R139-E166 PolarHBondContact NE-OE2 3.13Å; R139-E166 IonicContact NH2-OE1 3.47Å; R139-E166 PolarHBondContact NH2-OE1 3.28Å; R139-E166 IonicContact NH2-OE2 3.28Å; R139-F170 HydrophobicContact CG-CD2 4.47Å
140L93.5Very high91.9Very high0 Ų032.8 Ų32.80%019%0.191CC..Hα-helixtrans-62.5-36171.2-17861.1000112.3M84 A90 L94 L121 V129 M132 M136 K137 R138 A143 Q144M84-L140 HydrophobicContact CE-CG 4.17Å; M84-L140 HydrophobicContact SD-CD1 4.49Å; M84-L140 HydrophobicContact SD-CD2 3.59Å; M84-L140 VanDerWaalsContact SD-CD2 3.59Å; M84-L140 HydrophobicContact SD-CG 3.78Å; A90-L140 HydrophobicContact CB-CD1 3.98Å; A90-L140 HydrophobicContact CB-CD2 4.14Å; L94-L140 HydrophobicContact CD1-CD1 3.85Å; L94-L140 HydrophobicContact CD2-CD1 4.14Å; L94-L140 HydrophobicContact CG-CD1 3.87Å; L121-L140 HydrophobicContact CD1-CB 3.87Å; V129-L140 HydrophobicContact CG1-CD2 4.41Å; V129-L140 HydrophobicContact CG2-CD2 3.69Å; M132-L140 HydrophobicContact SD-CD2 3.93Å; M136-L140 WeakPolarHBondContact O-CB 3.15Å; M136-L140 PolarHBondContact O-N 2.61Å; K137-L140 WeakPolarHBondContact O-CB 3.24Å; K137-L140 PolarHBondContact O-N 3.47Å; R138-L140 VanDerWaalsContact C-N 3.35Å; R138-L140 PolarHBondContact O-N 3.47Å; L140-A143 WeakPolarHBondContact O-CB 3.32Å; L140-A143 PolarHBondContact O-N 3.07Å; L140-Q144 PolarHBondContact O-N 3.06Å
141G93.3Very high91.9Very high0 Ų031.7 Ų31.70%019%0.186CC..Hα-helixtrans-62.9-38.4173.700000113.5F82 K137 R138 R139 Q144 A145F82-G141 VanDerWaalsContact CE2-CA 3.48Å; K137-G141 PolarHBondContact O-N 3.29Å; R138-G141 WeakPolarHBondContact O-CA 3.36Å; R138-G141 PolarHBondContact O-N 2.89Å; R139-G141 VanDerWaalsContact C-N 3.29Å; R139-G141 PolarHBondContact O-N 2.98Å; G141-Q144 PolarHBondContact O-N 3.18Å; G141-A145 PolarHBondContact O-N 3.11Å
142I92.1Very high92Very high0 Ų028.2 Ų28.20%016%0.157CC..Hα-helixtrans-64.1-46.2171.5-67.6-66000111.1L78 V119 R138 R139 Q144 A145 L146 L153 V155 F170 L173 L174L78-I142 HydrophobicContact CB-CD1 4.48Å; L78-I142 HydrophobicContact CD2-CD1 3.44Å; L78-I142 VanDerWaalsContact CD2-CD1 3.44Å; L78-I142 HydrophobicContact CD2-CG1 3.7Å; V119-I142 HydrophobicContact CG1-CB 4.45Å; V119-I142 HydrophobicContact CG1-CG2 4.2Å; R138-I142 PolarHBondContact O-N 3.34Å; R139-I142 PolarHBondContact O-N 3.17Å; I142-Q144 PolarHBondContact O-N 3.25Å; I142-A145 PolarHBondContact O-N 2.88Å; I142-A145 VanDerWaalsContact O-N 3.11Å; I142-L146 HydrophobicContact CG2-CD1 3.64Å; I142-L146 HydrophobicContact CG2-CG 4.22Å; I142-L146 WeakPolarHBondContact O-CB 3.48Å; I142-L146 WeakPolarHBondContact O-CG 3.33Å; I142-L146 PolarHBondContact O-N 3.23Å; I142-L153 HydrophobicContact CD1-CD2 4.23Å; I142-V155 HydrophobicContact CD1-CG2 4.12Å; I142-F170 HydrophobicContact CD1-CE2 4.14Å; I142-F170 HydrophobicContact CD1-CZ 3.69Å; I142-F170 HydrophobicContact CG1-CE2 3.47Å; I142-F170 VanDerWaalsContact CG1-CE2 3.47Å; I142-F170 HydrophobicContact CG1-CZ 3.58Å; I142-L173 HydrophobicContact CB-CD2 4.26Å; I142-L173 HydrophobicContact CG1-CD2 4.44Å; I142-L173 HydrophobicContact CG2-CD2 3.9Å; I142-L173 HydrophobicContact CG2-CG 4.37Å; I142-L174 HydrophobicContact CD1-CD2 3.84Å
143A94.3Very high92.3Very high0 Ų027.9 Ų27.90%016%0.156CC..Hα-helixtrans-56.8-38.3175.500000111.9L94 L115 V119 R139 L140 L146 L147L94-A143 HydrophobicContact CD1-CB 4.11Å; L94-A143 HydrophobicContact CD2-CB 4.26Å; L115-A143 HydrophobicContact CB-CB 4.15Å; V119-A143 HydrophobicContact CG1-CB 4Å; V119-A143 HydrophobicContact CG2-CB 4.02Å; R139-A143 PolarHBondContact O-N 3.36Å; R139-A143 VanDerWaalsContact O-N 3.11Å; L140-A143 WeakPolarHBondContact O-CB 3.32Å; L140-A143 PolarHBondContact O-N 3.07Å; A143-L146 PolarHBondContact O-N 3.09Å; A143-L147 PolarHBondContact O-N 3.25Å; A143-L147 VanDerWaalsContact O-N 3.1Å
144Q94.4Very high92.6Very high55 Ų5525 Ų2526%0.25714%0.135SC..Hα-helixtrans-68.1-43.1174.7173.9-86.5-58.100113.4M84 L94 L97 L140 G141 I142 L146 L147M84-Q144 HydrophobicContact CE-CB 3.27Å; M84-Q144 HydrophobicContact CE-CG 3.54Å; L94-Q144 HydrophobicContact CD2-CB 3.97Å; L97-Q144 HydrophobicContact CD1-CB 4.33Å; L97-Q144 HydrophobicContact CD1-CG 3.39Å; L140-Q144 PolarHBondContact O-N 3.06Å; G141-Q144 PolarHBondContact O-N 3.18Å; I142-Q144 PolarHBondContact O-N 3.25Å; Q144-L146 PolarHBondContact O-N 2.64Å; Q144-L147 WeakPolarHBondContact O-CB 3.38Å; Q144-L147 PolarHBondContact O-N 2.98Å
145A94.7Very high93Very high4 Ų422.4 Ų22.43%0.03311%0.109CC..Hα-helixtrans-64.1-32.3177.800000111.4G76 G141 I142 P150 L153G76-A145 VanDerWaalsContact CA-O 3.31Å; G76-A145 WeakPolarHBondContact CA-O 3.48Å; G141-A145 PolarHBondContact O-N 3.11Å; I142-A145 PolarHBondContact O-N 2.88Å; I142-A145 VanDerWaalsContact O-N 3.11Å; A145-P150 WeakPolarHBondContact O-CG 3.42Å; A145-L153 HydrophobicContact CB-CD1 3.47Å; A145-L153 VanDerWaalsContact CB-CD1 3.47Å
146L94.7Very high93.4Very high9 Ų922.2 Ų22.25%0.04711%0.106CC..THydrogen-bonded Turntrans-86-5.5177.9-66176.1000114.5L115 I142 A143 Q144 N148 D149 P150 L153 V177 K181L115-L146 HydrophobicContact CD2-CB 3.6Å; L115-L146 HydrophobicContact CD2-CD1 4.31Å; I142-L146 HydrophobicContact CG2-CD1 3.64Å; I142-L146 HydrophobicContact CG2-CG 4.22Å; I142-L146 WeakPolarHBondContact O-CB 3.48Å; I142-L146 WeakPolarHBondContact O-CG 3.33Å; I142-L146 PolarHBondContact O-N 3.23Å; A143-L146 PolarHBondContact O-N 3.09Å; Q144-L146 PolarHBondContact O-N 2.64Å; L146-N148 PolarHBondContact O-N 3.07Å; L146-N148 VanDerWaalsContact O-N 3.15Å; L146-D149 PolarHBondContact O-N 2.96Å; L146-P150 HydrophobicContact CD2-CG 4.08Å; L146-L153 HydrophobicContact CD2-CD1 4.46Å; L146-L153 HydrophobicContact CD2-CD2 4.23Å; L146-V177 HydrophobicContact CD1-CG1 4.43Å; L146-V177 HydrophobicContact CD1-CG2 3.77Å; L146-V177 HydrophobicContact CD2-CG1 3.92Å; L146-K181 HydrophobicContact CD2-CD 4.43Å
147L93.8Very high93.3Very high3 Ų321.5 Ų21.52%0.01610%0.102CC..THydrogen-bonded Turntrans-58-34.5-171.7-169.861.4000113.9L94 L97 A98 R111 I112 L115 A143 Q144 D149L94-L147 WeakPolarHBondContact O-CD2 3.26Å; L97-L147 HydrophobicContact CB-CD2 3.74Å; A98-L147 HydrophobicContact CB-CD1 4.15Å; A98-L147 HydrophobicContact CB-CD2 3.84Å; A98-L147 HydrophobicContact CB-CG 4.12Å; R111-L147 WeakPolarHBondContact CD-O 3.48Å; R111-L147 PolarHBondContact NH1-O 3.05Å; I112-L147 HydrophobicContact CG1-CD1 3.99Å; L115-L147 HydrophobicContact CD1-CB 4.42Å; L115-L147 HydrophobicContact CD1-CD1 3.78Å; A143-L147 PolarHBondContact O-N 3.25Å; A143-L147 VanDerWaalsContact O-N 3.1Å; Q144-L147 WeakPolarHBondContact O-CB 3.38Å; Q144-L147 PolarHBondContact O-N 2.98Å; L147-D149 VanDerWaalsContact C-N 3.32Å
148N90.6Very high93Very high65 Ų6518.2 Ų18.235%0.3489%0.088SC..THydrogen-bonded Turntrans-93.214.2178.8-71.4-6.1000113.5S101 L146S101-N148 WeakPolarHBondContact CB-ND2 3.26Å; S101-N148 WeakPolarHBondContact CB-OD1 3.3Å; S101-N148 PolarHBondContact OG-ND2 3.12Å; S101-N148 PolarHBondContact OG-OD1 2.95Å; L146-N148 PolarHBondContact O-N 3.07Å; L146-N148 VanDerWaalsContact O-N 3.15Å
149D91.6Very high92.7Very high93 Ų9317.6 Ų17.650%0.4979%0.086SC..  trans48.957.8-175.1-172.827000112.6L146 L147 K181L146-D149 PolarHBondContact O-N 2.96Å; L147-D149 VanDerWaalsContact C-N 3.32Å; D149-K181 IonicContact OD1-NZ 3.66Å; D149-K181 PolarHBondContact OD1-NZ 2.87Å
150P94.6Very high92.1Very high2 Ų218.8 Ų18.81%0.01310%0.101CC..  trans-65.6155-176.833-39.1000111I74 G76 A145 L146 I152 K181I74-P150 CarbonylContact O-C 3.58Å; I74-P150 WeakPolarHBondContact O-CB 3.49Å; G76-P150 VanDerWaalsContact N-CB 3.29Å; A145-P150 WeakPolarHBondContact O-CG 3.42Å; L146-P150 HydrophobicContact CD2-CG 4.08Å; P150-I152 WeakPolarHBondContact CB-O 3.3Å; P150-K181 VanDerWaalsContact O-CD 3.26Å; P150-K181 WeakPolarHBondContact O-CD 3.27Å; P150-K181 WeakPolarHBondContact O-CE 3.45Å; P150-K181 PolarHBondContact O-NZ 3.02Å
151K95.6Very high91.3Very high101 Ų10122.6 Ų22.644%0.43914%0.14SC..SBendtrans-83.1-24.4170.3-67.5-174.1177.9-174.70112M1 I74 V182M1-K151 HydrophobicContact SD-CB 3.65Å; M1-K151 HydrophobicContact SD-CD 3.89Å; M1-K151 HydrophobicContact SD-CG 3.82Å; I74-K151 HydrophobicContact CB-CB 4.38Å; I74-K151 HydrophobicContact CG2-CD 4.45Å; I74-K151 PolarHBondContact O-N 3.26Å; K151-V182 PolarHBondContact O-N 2.8Å
152I96.8Very high90.7Very high0 Ų023.3 Ų23.30%014%0.144CC..EExtended strand (participates in β ladder)trans-128126.9-176.7-58.4166.6000108.1I3 M60 I74 I75 G76 P150 V154 V182I3-I152 HydrophobicContact CD1-CD1 4.23Å; I3-I152 HydrophobicContact CD1-CG2 3.68Å; I3-I152 HydrophobicContact CG1-CD1 3.83Å; I3-I152 HydrophobicContact CG1-CG1 4.46Å; I3-I152 HydrophobicContact CG1-CG2 4.44Å; M60-I152 HydrophobicContact CB-CD1 3.81Å; M60-I152 HydrophobicContact CG-CD1 4.11Å; M60-I152 HydrophobicContact SD-CD1 3.89Å; I74-I152 HydrophobicContact CD1-CD1 4.32Å; I74-I152 PolarHBondContact O-N 3.41Å; I75-I152 CarbonylContact C-O 3.6Å; I75-I152 VanDerWaalsContact CA-O 3.29Å; I75-I152 WeakPolarHBondContact CA-O 3.27Å; I75-I152 HydrophobicContact CD1-CG2 4.16Å; I75-I152 HydrophobicContact CG1-CB 4.16Å; I75-I152 HydrophobicContact CG1-CG2 4.05Å; G76-I152 PolarHBondContact N-O 3.47Å; P150-I152 WeakPolarHBondContact CB-O 3.3Å; I152-V154 HydrophobicContact CG2-CG2 4.14Å; I152-V182 CarbonylContact C-O 3.33Å; I152-V182 VanDerWaalsContact CA-O 3.31Å; I152-V182 WeakPolarHBondContact CA-O 3.3Å; I152-V182 HydrophobicContact CB-CB 4.43Å; I152-V182 HydrophobicContact CG1-CB 4.06Å; I152-V182 HydrophobicContact CG1-CG2 4.33Å; I152-V182 HydrophobicContact CG2-CB 4.32Å; I152-V182 HydrophobicContact CG2-CG1 4.36Å
153L96.2Very high90.4Very high0 Ų027.6 Ų27.60%017%0.167CC..EExtended strand (participates in β ladder)trans-112.5122172.4177.965.7000109I142 A145 L146 V155 L174 V177 V182 V183 L184I142-L153 HydrophobicContact CD1-CD2 4.23Å; A145-L153 HydrophobicContact CB-CD1 3.47Å; A145-L153 VanDerWaalsContact CB-CD1 3.47Å; L146-L153 HydrophobicContact CD2-CD1 4.46Å; L146-L153 HydrophobicContact CD2-CD2 4.23Å; L153-V155 HydrophobicContact CD1-CG2 4.27Å; L153-V155 HydrophobicContact CD2-CG2 3.99Å; L153-V155 HydrophobicContact CG-CG2 3.75Å; L153-L174 HydrophobicContact CD2-CD2 3.97Å; L153-V177 HydrophobicContact CD2-CG1 3.84Å; L153-V182 PolarHBondContact N-O 2.95Å; L153-V183 HydrophobicContact CB-CG2 4.28Å; L153-V183 HydrophobicContact CD2-CG2 4.49Å; L153-V183 CarbonylContact O-C 3.56Å; L153-V183 WeakPolarHBondContact O-CA 3.26Å; L153-L184 PolarHBondContact O-N 3.27Å
154V96.5Very high89.7Confident0 Ų032.9 Ų32.90%020%0.201CC..EExtended strand (participates in β ladder)trans-108.1127.2175.4-1800000109.3L44 V48 I75 G76 F77 L78 I152 L184L44-V154 HydrophobicContact CB-CG1 4.06Å; L44-V154 HydrophobicContact CD1-CG1 3.89Å; L44-V154 HydrophobicContact CD2-CG1 3.72Å; L44-V154 HydrophobicContact CG-CG1 4.08Å; V48-V154 HydrophobicContact CG1-CB 3.9Å; V48-V154 HydrophobicContact CG1-CG1 4.13Å; V48-V154 HydrophobicContact CG1-CG2 3.95Å; I75-V154 HydrophobicContact CD1-CG2 3.82Å; I75-V154 HydrophobicContact CG1-CG2 4.11Å; G76-V154 PolarHBondContact O-N 3.33Å; F77-V154 WeakPolarHBondContact CA-O 3.38Å; F77-V154 HydrophobicContact CD2-CB 4.04Å; F77-V154 HydrophobicContact CD2-CG1 3.93Å; F77-V154 HydrophobicContact CE2-CG1 4.19Å; L78-V154 PolarHBondContact N-O 2.96Å; I152-V154 HydrophobicContact CG2-CG2 4.14Å; V154-L184 WeakPolarHBondContact CA-O 3.13Å; V154-L184 HydrophobicContact CG2-CB 4.33Å; V154-L184 HydrophobicContact CG2-CD2 4.5Å
155V94.2Very high89.3Confident0 Ų035.7 Ų35.70%021%0.214CC..EExtended strand (participates in β ladder)trans-130.4120.3-175.2-170.50000110L78 I142 L153 P158 F170 L174 L184 L185 S186L78-V155 HydrophobicContact CB-CG1 4.2Å; L78-V155 HydrophobicContact CD2-CG1 4.08Å; L78-V155 HydrophobicContact CG-CG1 4.39Å; I142-V155 HydrophobicContact CD1-CG2 4.12Å; L153-V155 HydrophobicContact CD1-CG2 4.27Å; L153-V155 HydrophobicContact CD2-CG2 3.99Å; L153-V155 HydrophobicContact CG-CG2 3.75Å; V155-P158 HydrophobicContact CG1-CB 3.43Å; V155-P158 VanDerWaalsContact CG1-CB 3.43Å; V155-P158 HydrophobicContact CG1-CG 3.51Å; V155-F170 HydrophobicContact CG1-CZ 4.38Å; V155-L174 HydrophobicContact CG2-CD2 4.19Å; V155-L184 PolarHBondContact N-O 3.46Å; V155-L185 HydrophobicContact CB-CD1 4.23Å; V155-L185 HydrophobicContact CG1-CD1 4.32Å; V155-S186 PolarHBondContact O-N 3.3Å
156D93.5Very high88.8Confident2 Ų236.9 Ų36.91%0.01122%0.219CC..EExtended strand (participates in β ladder)trans-100.8114.5-179.7-160.414.5000111.5T41 L44 F77 L78 Q80 R138 S186T41-D156 WeakPolarHBondContact CB-OD2 3.48Å; T41-D156 WeakPolarHBondContact CG2-OD2 3.41Å; T41-D156 PolarHBondContact OG1-OD2 2.82Å; L44-D156 HydrophobicContact CD1-CB 3.66Å; F77-D156 HydrophobicContact CE2-CB 4.47Å; L78-D156 PolarHBondContact O-N 3.26Å; Q80-D156 WeakPolarHBondContact CA-O 3.5Å; Q80-D156 HydrophobicContact CB-CB 4.43Å; R138-D156 PolarHBondContact NH2-O 2.82Å; D156-S186 WeakPolarHBondContact OD1-CB 3.3Å; D156-S186 PolarHBondContact OD1-OG 2.7Å
157E89Confident88.4Confident8 Ų840.4 Ų40.44%0.03723%0.232CC..SBendtrans47.358.5173.6-63.6-80.4-173.700114K40 Q80 A160 S186 T187 H188K40-E157 WeakPolarHBondContact CE-OE1 3.4Å; K40-E157 IonicContact NZ-OE1 3.39Å; K40-E157 PolarHBondContact NZ-OE1 2.89Å; Q80-E157 HydrophobicContact CG-CB 4.12Å; E157-A160 WeakPolarHBondContact O-CB 2.84Å; E157-S186 VanDerWaalsContact CA-O 3.24Å; E157-S186 WeakPolarHBondContact CA-O 3.28Å; E157-S186 PolarHBondContact N-O 2.86Å; E157-T187 WeakPolarHBondContact OE2-CA 3.38Å; E157-H188 VanDerWaalsContact CD-ND1 3.33Å; E157-H188 IonicContact OE1-CG 2.98Å; E157-H188 PolarHBondContact OE1-N 2.85Å; E157-H188 IonicContact OE1-ND1 3.98Å; E157-H188 PolarHBondContact OE1-ND1 3.29Å; E157-H188 IonicContact OE2-CE1 3.66Å; E157-H188 PolarHBondContact OE2-CE1 2.73Å; E157-H188 IonicContact OE2-CG 3.72Å; E157-H188 PolarHBondContact OE2-N 2.88Å; E157-H188 IonicContact OE2-ND1 2.84Å; E157-H188 PolarHBondContact OE2-ND1 3.17Å
158P83.7Confident88Confident2 Ų244.1 Ų44.11%0.01325%0.251CS..THydrogen-bonded Turntrans-79.9-22.8-165.129.2-34.3000117.8R138 V155 A160 F170 L185R138-P158 VanDerWaalsContact CZ-CA 3.46Å; R138-P158 VanDerWaalsContact NE-CA 3.28Å; R138-P158 PolarHBondContact NE-O 2.81Å; V155-P158 HydrophobicContact CG1-CB 3.43Å; V155-P158 VanDerWaalsContact CG1-CB 3.43Å; V155-P158 HydrophobicContact CG1-CG 3.51Å; P158-A160 VanDerWaalsContact C-N 3.31Å; P158-F170 HydrophobicContact CB-CD1 4.03Å; P158-F170 HydrophobicContact CB-CE1 3.19Å; P158-F170 HydrophobicContact CB-CE2 4.36Å; P158-F170 HydrophobicContact CB-CZ 3.38Å; P158-F170 HydrophobicContact CG-CD1 4.19Å; P158-F170 HydrophobicContact CG-CE1 3.47Å; P158-F170 VanDerWaalsContact CG-CE1 3.47Å; P158-F170 HydrophobicContact CG-CZ 4.14Å; P158-L185 HydrophobicContact CG-CD1 3.27Å
159T83.7Confident87.7Confident3 Ų346.4 Ų46.42%0.01826%0.255CS..THydrogen-bonded Turntrans-88.4-6.7-177.853.90000111.8G161 L162 R167 F170 D192T159-G161 PolarHBondContact O-N 3.42Å; T159-L162 WeakPolarHBondContact O-CB 3.1Å; T159-L162 PolarHBondContact O-N 2.88Å; T159-L162 VanDerWaalsContact O-N 3.07Å; T159-R167 HydrophobicContact CG2-CB 4.49Å; T159-R167 HydrophobicContact CG2-CG 4.22Å; T159-R167 PolarHBondContact O-NE 3.12Å; T159-F170 HydrophobicContact CG2-CD1 4.38Å; T159-D192 WeakPolarHBondContact CB-OD2 3.33Å; T159-D192 HydrophobicContact CG2-CB 4.44Å; T159-D192 WeakPolarHBondContact CG2-OD2 3.21Å; T159-D192 PolarHBondContact OG1-OD2 3.27Å
160A77.9Confident87.5Confident47 Ų4742.1 Ų42.139%0.38823%0.232SC..THydrogen-bonded Turntrans-58.2123.2179.900000110.6E157 P158 L162E157-A160 WeakPolarHBondContact O-CB 2.84Å; P158-A160 VanDerWaalsContact C-N 3.31Å; A160-L162 VanDerWaalsContact C-N 3.27Å; A160-L162 PolarHBondContact O-N 3.47Å
161G75.2Confident87.2Confident80 Ų8045.3 Ų45.383%0.82524%0.244SC*.THydrogen-bonded Turntrans76.53.3-18000000115.7T159T159-G161 PolarHBondContact O-N 3.42Å
162L82.3Confident86.9Confident16 Ų1644.7 Ų44.78%0.08425%0.245CC..  trans-84.3148171.6-56.8-171.8000111.1G135 T159 A160 E166 R167 F170G135-L162 VanDerWaalsContact CA-CD2 3.48Å; T159-L162 WeakPolarHBondContact O-CB 3.1Å; T159-L162 PolarHBondContact O-N 2.88Å; T159-L162 VanDerWaalsContact O-N 3.07Å; A160-L162 VanDerWaalsContact C-N 3.27Å; A160-L162 PolarHBondContact O-N 3.47Å; L162-E166 HydrophobicContact CB-CB 4.31Å; L162-E166 HydrophobicContact CD1-CB 4.44Å; L162-R167 HydrophobicContact CB-CG 3.73Å; L162-R167 PolarHBondContact O-NE 3.19Å; L162-R167 PolarHBondContact O-NH2 2.87Å; L162-F170 HydrophobicContact CD1-CB 4.43Å
163D84.7Confident86.6Confident89 Ų8945.1 Ų45.148%0.47625%0.248SC..  trans-69.7163.816863.850.8000111.4E165 E166 R167D163-E165 VanDerWaalsContact C-N 3.29Å; D163-E165 PolarHBondContact O-N 3.29Å; D163-E165 PolarHBondContact OD1-N 2.9Å; D163-E165 VanDerWaalsContact OD1-N 3.17Å; D163-E166 PolarHBondContact O-N 3.41Å; D163-E166 WeakPolarHBondContact OD1-CB 3.28Å; D163-E166 PolarHBondContact OD1-N 2.8Å; D163-R167 VanDerWaalsContact O-CG 3.31Å; D163-R167 WeakPolarHBondContact O-CG 3.19Å; D163-R167 PolarHBondContact O-N 3.17Å
164P80Confident86.4Confident111 Ų11145.2 Ų45.272%0.72125%0.248SC*.Hα-helixtrans-57.9-34.2-176.5-27.936.6000115.2L168P164-L168 PolarHBondContact O-N 3.27Å; P164-L168 VanDerWaalsContact O-N 3.16Å
165E86Confident86.1Confident115 Ų11546.5 Ų46.554%0.53726%0.259SS..Hα-helixtrans-72-46.6-178.4-168.8-170.8154.200111.1D163 R167 L168 R169D163-E165 VanDerWaalsContact C-N 3.29Å; D163-E165 PolarHBondContact O-N 3.29Å; D163-E165 PolarHBondContact OD1-N 2.9Å; D163-E165 VanDerWaalsContact OD1-N 3.17Å; E165-R167 VanDerWaalsContact C-N 3.32Å; E165-R167 PolarHBondContact O-N 2.6Å; E165-L168 PolarHBondContact O-N 3.49Å; E165-R169 WeakPolarHBondContact O-CG 3.44Å; E165-R169 PolarHBondContact O-N 3.13Å; E165-R169 IonicContact OE1-CZ 2.7Å; E165-R169 IonicContact OE1-NE 2.7Å; E165-R169 PolarHBondContact OE1-NE 3.1Å; E165-R169 VanDerWaalsContact OE1-NE 3.13Å; E165-R169 IonicContact OE1-NH2 3.49Å; E165-R169 PolarHBondContact OE1-NH2 3.38Å
166E84.4Confident86Confident28 Ų2851.4 Ų51.413%0.13128%0.282CS..Hα-helixtrans-66.1-33.3175.7-78-74.8155.900111.7R139 L162 D163 R169 F170R139-E166 IonicContact CZ-OE1 2.73Å; R139-E166 IonicContact CZ-OE2 2.69Å; R139-E166 IonicContact NE-OE1 3.84Å; R139-E166 IonicContact NE-OE2 3.01Å; R139-E166 PolarHBondContact NE-OE2 3.13Å; R139-E166 IonicContact NH2-OE1 3.47Å; R139-E166 PolarHBondContact NH2-OE1 3.28Å; R139-E166 IonicContact NH2-OE2 3.28Å; L162-E166 HydrophobicContact CB-CB 4.31Å; L162-E166 HydrophobicContact CD1-CB 4.44Å; D163-E166 PolarHBondContact O-N 3.41Å; D163-E166 WeakPolarHBondContact OD1-CB 3.28Å; D163-E166 PolarHBondContact OD1-N 2.8Å; E166-R169 PolarHBondContact O-N 2.65Å; E166-F170 VanDerWaalsContact O-CB 3.23Å; E166-F170 WeakPolarHBondContact O-CB 3.07Å; E166-F170 PolarHBondContact O-N 3.39Å
167R85.5Confident85.9Confident83 Ų8351.6 Ų51.631%0.31328%0.283SS..Hα-helixtrans-60.2-46.2171.6-72.5-175.5-167.5-173.22112.1T159 L162 D163 E165 F170 R171T159-R167 HydrophobicContact CG2-CB 4.49Å; T159-R167 HydrophobicContact CG2-CG 4.22Å; T159-R167 PolarHBondContact O-NE 3.12Å; L162-R167 HydrophobicContact CB-CG 3.73Å; L162-R167 PolarHBondContact O-NE 3.19Å; L162-R167 PolarHBondContact O-NH2 2.87Å; D163-R167 VanDerWaalsContact O-CG 3.31Å; D163-R167 WeakPolarHBondContact O-CG 3.19Å; D163-R167 PolarHBondContact O-N 3.17Å; E165-R167 VanDerWaalsContact C-N 3.32Å; E165-R167 PolarHBondContact O-N 2.6Å; R167-F170 PolarHBondContact O-N 3.27Å; R167-R171 WeakPolarHBondContact O-CB 3.48Å; R167-R171 PolarHBondContact O-N 3.31Å
168L85.5Confident86.1Confident81 Ų8151.9 Ų51.942%0.42429%0.286SS..Hα-helixtrans-61.9-47.1177.5177.260.6000111.4P164 E165 F170 R171 N172P164-L168 PolarHBondContact O-N 3.27Å; P164-L168 VanDerWaalsContact O-N 3.16Å; E165-L168 PolarHBondContact O-N 3.49Å; L168-F170 VanDerWaalsContact C-N 3.3Å; L168-F170 PolarHBondContact O-N 2.85Å; L168-R171 PolarHBondContact O-N 3.33Å; L168-N172 VanDerWaalsContact O-CG 3.3Å; L168-N172 PolarHBondContact O-N 3.07Å; L168-N172 PolarHBondContact O-OD1 3.38Å
169R85.9Confident86.5Confident114 Ų11458.5 Ų58.543%0.4332%0.316SS..Hα-helixtrans-58.5-43.1176.2-70.1175.9-176.1-86.52.2111.5E165 E166 N172 L173E165-R169 WeakPolarHBondContact O-CG 3.44Å; E165-R169 PolarHBondContact O-N 3.13Å; E165-R169 IonicContact OE1-CZ 2.7Å; E165-R169 IonicContact OE1-NE 2.7Å; E165-R169 PolarHBondContact OE1-NE 3.1Å; E165-R169 VanDerWaalsContact OE1-NE 3.13Å; E165-R169 IonicContact OE1-NH2 3.49Å; E165-R169 PolarHBondContact OE1-NH2 3.38Å; E166-R169 PolarHBondContact O-N 2.65Å; R169-N172 PolarHBondContact O-N 3.44Å; R169-L173 PolarHBondContact O-N 2.78Å; R169-L173 VanDerWaalsContact O-N 3.08Å
170F87.1Confident86.9Confident2 Ų264.2 Ų64.21%0.00935%0.347CS..Hα-helixtrans-66.4-42.3179.7-167.2-87000112.3L78 R138 R139 I142 V155 P158 T159 L162 E166 R167 L168 L173 L174L78-F170 HydrophobicContact CD2-CZ 4.2Å; R138-F170 HydrophobicContact CB-CE2 4.39Å; R138-F170 HydrophobicContact CG-CD2 4.09Å; R138-F170 HydrophobicContact CG-CE2 3.52Å; R138-F170 HydrophobicContact CG-CZ 4.1Å; R139-F170 HydrophobicContact CG-CD2 4.47Å; I142-F170 HydrophobicContact CD1-CE2 4.14Å; I142-F170 HydrophobicContact CD1-CZ 3.69Å; I142-F170 HydrophobicContact CG1-CE2 3.47Å; I142-F170 VanDerWaalsContact CG1-CE2 3.47Å; I142-F170 HydrophobicContact CG1-CZ 3.58Å; V155-F170 HydrophobicContact CG1-CZ 4.38Å; P158-F170 HydrophobicContact CB-CD1 4.03Å; P158-F170 HydrophobicContact CB-CE1 3.19Å; P158-F170 HydrophobicContact CB-CE2 4.36Å; P158-F170 HydrophobicContact CB-CZ 3.38Å; P158-F170 HydrophobicContact CG-CD1 4.19Å; P158-F170 HydrophobicContact CG-CE1 3.47Å; P158-F170 VanDerWaalsContact CG-CE1 3.47Å; P158-F170 HydrophobicContact CG-CZ 4.14Å; T159-F170 HydrophobicContact CG2-CD1 4.38Å; L162-F170 HydrophobicContact CD1-CB 4.43Å; E166-F170 VanDerWaalsContact O-CB 3.23Å; E166-F170 WeakPolarHBondContact O-CB 3.07Å; E166-F170 PolarHBondContact O-N 3.39Å; R167-F170 PolarHBondContact O-N 3.27Å; L168-F170 VanDerWaalsContact C-N 3.3Å; L168-F170 PolarHBondContact O-N 2.85Å; F170-L173 WeakPolarHBondContact O-CB 3.41Å; F170-L173 PolarHBondContact O-N 3.11Å; F170-L174 HydrophobicContact CD1-CD1 4.02Å; F170-L174 HydrophobicContact CD1-CG 4.11Å; F170-L174 HydrophobicContact CE1-CD1 3.47Å; F170-L174 VanDerWaalsContact CE1-CD1 3.47Å; F170-L174 HydrophobicContact CE1-CD2 4.19Å; F170-L174 HydrophobicContact CE1-CG 3.69Å; F170-L174 HydrophobicContact CZ-CD1 4.41Å; F170-L174 HydrophobicContact CZ-CD2 4.44Å; F170-L174 HydrophobicContact CZ-CG 4.38Å; F170-L174 PolarHBondContact O-N 3.11Å
171R88Confident87.7Confident69 Ų6963.8 Ų63.826%0.2634%0.336SS..Hα-helixtrans-61-45.6175.9-174-17869.6-177.93.6111.8R167 L168 L173 L174 A175 D192R167-R171 WeakPolarHBondContact O-CB 3.48Å; R167-R171 PolarHBondContact O-N 3.31Å; L168-R171 PolarHBondContact O-N 3.33Å; R171-L173 VanDerWaalsContact C-N 3.33Å; R171-L173 PolarHBondContact O-N 3.4Å; R171-L174 PolarHBondContact O-N 3.4Å; R171-A175 PolarHBondContact O-N 2.88Å; R171-D192 WeakPolarHBondContact CD-O 3.35Å
172N88.8Confident88.7Confident88 Ų8860 Ų6047%0.47130%0.297SS..Hα-helixtrans-62.9-40.6178.3-66.8-6.1000111.6L168 R169 A175 E176L168-N172 VanDerWaalsContact O-CG 3.3Å; L168-N172 PolarHBondContact O-N 3.07Å; L168-N172 PolarHBondContact O-OD1 3.38Å; R169-N172 PolarHBondContact O-N 3.44Å; N172-A175 PolarHBondContact O-N 3.25Å; N172-E176 PolarHBondContact O-N 3.42Å
173L90.6Very high89.3Confident10 Ų1059.2 Ų59.25%0.05229%0.293CS..Hα-helixtrans-60.1-44.8174173.464000112Q118 V119 I142 R169 F170 R171 A175 E176 V177Q118-L173 HydrophobicContact CG-CD1 3.92Å; V119-L173 HydrophobicContact CB-CD2 4.23Å; V119-L173 HydrophobicContact CG1-CD1 4.31Å; V119-L173 HydrophobicContact CG1-CD2 3.9Å; I142-L173 HydrophobicContact CB-CD2 4.26Å; I142-L173 HydrophobicContact CG1-CD2 4.44Å; I142-L173 HydrophobicContact CG2-CD2 3.9Å; I142-L173 HydrophobicContact CG2-CG 4.37Å; R169-L173 PolarHBondContact O-N 2.78Å; R169-L173 VanDerWaalsContact O-N 3.08Å; F170-L173 WeakPolarHBondContact O-CB 3.41Å; F170-L173 PolarHBondContact O-N 3.11Å; R171-L173 VanDerWaalsContact C-N 3.33Å; R171-L173 PolarHBondContact O-N 3.4Å; L173-A175 VanDerWaalsContact C-N 3.35Å; L173-E176 PolarHBondContact O-N 3.4Å; L173-V177 HydrophobicContact CD1-CG2 4.38Å; L173-V177 VanDerWaalsContact O-CG2 3.23Å; L173-V177 WeakPolarHBondContact O-CG2 3.39Å; L173-V177 PolarHBondContact O-N 2.81Å
174L91.7Very high89.8Confident1 Ų155.1 Ų55.11%0.00527%0.271CS..Hα-helixtrans-66.1-37.3177.2-73-171000112.7M29 I142 L153 V155 F170 R171 V177 S178 V183 L185M29-L174 HydrophobicContact SD-CB 4.22Å; I142-L174 HydrophobicContact CD1-CD2 3.84Å; L153-L174 HydrophobicContact CD2-CD2 3.97Å; V155-L174 HydrophobicContact CG2-CD2 4.19Å; F170-L174 HydrophobicContact CD1-CD1 4.02Å; F170-L174 HydrophobicContact CD1-CG 4.11Å; F170-L174 HydrophobicContact CE1-CD1 3.47Å; F170-L174 VanDerWaalsContact CE1-CD1 3.47Å; F170-L174 HydrophobicContact CE1-CD2 4.19Å; F170-L174 HydrophobicContact CE1-CG 3.69Å; F170-L174 HydrophobicContact CZ-CD1 4.41Å; F170-L174 HydrophobicContact CZ-CD2 4.44Å; F170-L174 HydrophobicContact CZ-CG 4.38Å; F170-L174 PolarHBondContact O-N 3.11Å; R171-L174 PolarHBondContact O-N 3.4Å; L174-V177 PolarHBondContact O-N 3.13Å; L174-S178 WeakPolarHBondContact O-CB 3.25Å; L174-S178 PolarHBondContact O-N 2.99Å; L174-V183 HydrophobicContact CD2-CG1 4.35Å; L174-L185 HydrophobicContact CD1-CD1 4.11Å; L174-L185 HydrophobicContact CD1-CD2 4.01Å
175A91.2Very high90.5Very high28 Ų2850 Ų5023%0.23124%0.238CC..Hα-helixtrans-60.6-48.7175.700000111.1R171 N172 L173 V177 S178 E179 A196R171-A175 PolarHBondContact O-N 2.88Å; N172-A175 PolarHBondContact O-N 3.25Å; L173-A175 VanDerWaalsContact C-N 3.35Å; A175-V177 VanDerWaalsContact C-N 3.34Å; A175-V177 PolarHBondContact O-N 3.19Å; A175-S178 WeakPolarHBondContact O-CB 3.4Å; A175-S178 PolarHBondContact O-N 3.16Å; A175-S178 PolarHBondContact O-OG 2.89Å; A175-E179 PolarHBondContact O-N 3.29Å; A175-A196 HydrophobicContact CB-CB 3.85Å
176E91.4Very high90.9Very high103 Ų10344.5 Ų44.548%0.48121%0.212SC..Hα-helixtrans-58.8-43.7175.9-173.3-172.3160.100111.8N172 L173 S178 E179N172-E176 PolarHBondContact O-N 3.42Å; L173-E176 PolarHBondContact O-N 3.4Å; E176-S178 VanDerWaalsContact C-N 3.25Å; E176-S178 PolarHBondContact O-N 3.21Å; E176-E179 PolarHBondContact O-N 2.86Å
177V92.1Very high91.1Very high6 Ų643.2 Ų43.24%0.03621%0.206CC..Hα-helixtrans-63.3-33.5176.3172.40000111.9L146 L153 L173 L174 A175 E179 K181 V183L146-V177 HydrophobicContact CD1-CG1 4.43Å; L146-V177 HydrophobicContact CD1-CG2 3.77Å; L146-V177 HydrophobicContact CD2-CG1 3.92Å; L153-V177 HydrophobicContact CD2-CG1 3.84Å; L173-V177 HydrophobicContact CD1-CG2 4.38Å; L173-V177 VanDerWaalsContact O-CG2 3.23Å; L173-V177 WeakPolarHBondContact O-CG2 3.39Å; L173-V177 PolarHBondContact O-N 2.81Å; L174-V177 PolarHBondContact O-N 3.13Å; A175-V177 VanDerWaalsContact C-N 3.34Å; A175-V177 PolarHBondContact O-N 3.19Å; V177-E179 VanDerWaalsContact C-N 3.32Å; V177-E179 PolarHBondContact O-N 2.57Å; V177-K181 HydrophobicContact CG1-CD 4.12Å; V177-K181 WeakPolarHBondContact O-CB 3.13Å; V177-V183 HydrophobicContact CG1-CG2 3.95Å
178S93.3Very high91Very high13 Ų1343.1 Ų43.19%0.09121%0.209CC..Hα-helixtrans-74.5-16.4-17677.40000114.6G28 L174 A175 E176 N180 K181G28-S178 WeakPolarHBondContact CA-O 3.41Å; G28-S178 PolarHBondContact N-O 2.96Å; L174-S178 WeakPolarHBondContact O-CB 3.25Å; L174-S178 PolarHBondContact O-N 2.99Å; A175-S178 WeakPolarHBondContact O-CB 3.4Å; A175-S178 PolarHBondContact O-N 3.16Å; A175-S178 PolarHBondContact O-OG 2.89Å; E176-S178 VanDerWaalsContact C-N 3.25Å; E176-S178 PolarHBondContact O-N 3.21Å; S178-N180 PolarHBondContact O-N 2.82Å; S178-N180 VanDerWaalsContact O-N 3.14Å; S178-K181 PolarHBondContact O-N 2.92Å
179E91.7Very high90.8Very high141 Ų14141.2 Ų41.266%0.65920%0.199SC*.THydrogen-bonded Turntrans-55.7-35.3179.6-67.3-177.4177.900112.8A175 E176 V177A175-E179 PolarHBondContact O-N 3.29Å; E176-E179 PolarHBondContact O-N 2.86Å; V177-E179 VanDerWaalsContact C-N 3.32Å; V177-E179 PolarHBondContact O-N 2.57Å
180N90.8Very high90.6Very high123 Ų12336 Ų3666%0.65818%0.18SC*.THydrogen-bonded Turntrans-125.89.9-174.4-65-69.8000113.4M1 S178M1-N180 WeakPolarHBondContact CE-O 3.37Å; S178-N180 PolarHBondContact O-N 2.82Å; S178-N180 VanDerWaalsContact O-N 3.14Å
181K94.8Very high90.2Very high38 Ų3837.3 Ų37.317%0.16519%0.194CC..SBendtrans-142.4160.3-173.8-60-179.1-175.3-57.90110.5G28 L146 D149 P150 V177 S178G28-K181 PolarHBondContact N-O 3.4Å; L146-K181 HydrophobicContact CD2-CD 4.43Å; D149-K181 IonicContact OD1-NZ 3.66Å; D149-K181 PolarHBondContact OD1-NZ 2.87Å; P150-K181 VanDerWaalsContact O-CD 3.26Å; P150-K181 WeakPolarHBondContact O-CD 3.27Å; P150-K181 WeakPolarHBondContact O-CE 3.45Å; P150-K181 PolarHBondContact O-NZ 3.02Å; V177-K181 HydrophobicContact CG1-CD 4.12Å; V177-K181 WeakPolarHBondContact O-CB 3.13Å; S178-K181 PolarHBondContact O-N 2.92Å
182V96.1Very high89.9Confident0 Ų034.6 Ų34.60%019%0.185CC..EExtended strand (participates in β ladder)trans-82.1118.8167.9179.70000107.6M1 I3 I25 K151 I152 L153M1-V182 HydrophobicContact CB-CG2 3.9Å; I3-V182 HydrophobicContact CD1-CG1 4.05Å; I3-V182 HydrophobicContact CG1-CG1 4.36Å; I25-V182 HydrophobicContact CG2-CG1 3.66Å; K151-V182 PolarHBondContact O-N 2.8Å; I152-V182 CarbonylContact C-O 3.33Å; I152-V182 VanDerWaalsContact CA-O 3.31Å; I152-V182 WeakPolarHBondContact CA-O 3.3Å; I152-V182 HydrophobicContact CB-CB 4.43Å; I152-V182 HydrophobicContact CG1-CB 4.06Å; I152-V182 HydrophobicContact CG1-CG2 4.33Å; I152-V182 HydrophobicContact CG2-CB 4.32Å; I152-V182 HydrophobicContact CG2-CG1 4.36Å; L153-V182 PolarHBondContact N-O 2.95Å
183V95.5Very high89.7Confident0 Ų030.4 Ų30.40%016%0.162CC..EExtended strand (participates in β ladder)trans-112.4109.2175179.40000109.1G28 M29 F30 L153 L174 V177G28-V183 PolarHBondContact O-N 3.4Å; M29-V183 WeakPolarHBondContact CA-O 3.48Å; M29-V183 HydrophobicContact CB-CB 4.45Å; M29-V183 HydrophobicContact CG-CB 4.45Å; M29-V183 HydrophobicContact CG-CG1 4.38Å; M29-V183 HydrophobicContact SD-CG1 4.43Å; F30-V183 PolarHBondContact N-O 2.8Å; L153-V183 HydrophobicContact CB-CG2 4.28Å; L153-V183 HydrophobicContact CD2-CG2 4.49Å; L153-V183 CarbonylContact O-C 3.56Å; L153-V183 WeakPolarHBondContact O-CA 3.26Å; L174-V183 HydrophobicContact CD2-CG1 4.35Å; V177-V183 HydrophobicContact CG1-CG2 3.95Å
184L95.8Very high89.3Confident3 Ų334 Ų342%0.01618%0.179CC..EExtended strand (participates in β ladder)trans-96.2109.2174.2176.457.1000109.7I25 F30 L32 L44 L47 L153 V154 V155I25-L184 HydrophobicContact CD1-CD1 4.05Å; I25-L184 HydrophobicContact CD1-CD2 4.1Å; F30-L184 HydrophobicContact CB-CD1 4.48Å; F30-L184 HydrophobicContact CD1-CD1 3.57Å; F30-L184 HydrophobicContact CE1-CD1 4.3Å; F30-L184 HydrophobicContact CG-CD1 4.43Å; L32-L184 HydrophobicContact CB-CD1 4.1Å; L44-L184 HydrophobicContact CD2-CD2 3.46Å; L44-L184 VanDerWaalsContact CD2-CD2 3.46Å; L44-L184 HydrophobicContact CD2-CG 3.88Å; L47-L184 HydrophobicContact CD1-CD2 3.56Å; L153-L184 PolarHBondContact O-N 3.27Å; V154-L184 WeakPolarHBondContact CA-O 3.13Å; V154-L184 HydrophobicContact CG2-CB 4.33Å; V154-L184 HydrophobicContact CG2-CD2 4.5Å; V155-L184 PolarHBondContact N-O 3.46Å
185L94.3Very high88.4Confident4 Ų437 Ų372%0.02120%0.203CC..EExtended strand (participates in β ladder)trans-107.9111.9-177.2173.357.6000110.6M29 F30 G31 L32 V155 P158 L174 I193M29-L185 HydrophobicContact SD-CD2 4.06Å; F30-L185 PolarHBondContact O-N 2.92Å; G31-L185 CarbonylContact C-O 3.58Å; L32-L185 PolarHBondContact N-O 3.44Å; V155-L185 HydrophobicContact CB-CD1 4.23Å; V155-L185 HydrophobicContact CG1-CD1 4.32Å; P158-L185 HydrophobicContact CG-CD1 3.27Å; L174-L185 HydrophobicContact CD1-CD1 4.11Å; L174-L185 HydrophobicContact CD1-CD2 4.01Å; L185-I193 HydrophobicContact CD2-CG2 3.68Å; L185-I193 HydrophobicContact CG-CG2 4.1Å
186S93.8Very high87.8Confident0 Ų037.1 Ų37.10%020%0.204CC..EExtended strand (participates in β ladder)trans-86.3127.1169.1163.60000109.9L32 K40 L44 V155 D156 E157L32-S186 WeakPolarHBondContact O-CA 2.95Å; K40-S186 WeakPolarHBondContact CE-OG 3.47Å; L44-S186 VanDerWaalsContact CD1-CB 3.47Å; V155-S186 PolarHBondContact O-N 3.3Å; D156-S186 WeakPolarHBondContact OD1-CB 3.3Å; D156-S186 PolarHBondContact OD1-OG 2.7Å; E157-S186 VanDerWaalsContact CA-O 3.24Å; E157-S186 WeakPolarHBondContact CA-O 3.28Å; E157-S186 PolarHBondContact N-O 2.86Å
187T89.4Confident87.7Confident0 Ų032.6 Ų32.60%019%0.185CC..EExtended strand (participates in β ladder)trans-151156.4174.7-174.20000110.7L32 L33 E157 I189 D192 I193L32-T187 PolarHBondContact O-N 3.48Å; L32-T187 VanDerWaalsContact O-N 3.11Å; L33-T187 WeakPolarHBondContact CA-O 3.45Å; L33-T187 HydrophobicContact CD2-CG2 3.58Å; L33-T187 WeakPolarHBondContact CD2-O 3.12Å; E157-T187 WeakPolarHBondContact OE2-CA 3.38Å; T187-I189 VanDerWaalsContact CG2-O 3.31Å; T187-I189 WeakPolarHBondContact CG2-O 3.41Å; T187-I189 PolarHBondContact OG1-N 3.36Å; T187-I189 PolarHBondContact OG1-O 2.82Å; T187-D192 HydrophobicContact CG2-CB 4.28Å; T187-D192 PolarHBondContact OG1-OD2 3.24Å; T187-D192 VanDerWaalsContact OG1-OD2 3.11Å; T187-I193 HydrophobicContact CG2-CG2 3.89Å
188H83.3Confident87.6Confident81 Ų8139.1 Ų39.138%0.37522%0.215SC..SBendtrans-100.7-1.6164.564.3-74.4000112.3E157E157-H188 VanDerWaalsContact CD-ND1 3.33Å; E157-H188 IonicContact OE1-CG 2.98Å; E157-H188 PolarHBondContact OE1-N 2.85Å; E157-H188 IonicContact OE1-ND1 3.98Å; E157-H188 PolarHBondContact OE1-ND1 3.29Å; E157-H188 IonicContact OE2-CE1 3.66Å; E157-H188 PolarHBondContact OE2-CE1 2.73Å; E157-H188 IonicContact OE2-CG 3.72Å; E157-H188 PolarHBondContact OE2-N 2.88Å; E157-H188 IonicContact OE2-ND1 2.84Å; E157-H188 PolarHBondContact OE2-ND1 3.17Å
189I80.4Confident87.6Confident42 Ų4240.7 Ų40.722%0.21522%0.222CC..  trans-104105.5-178.2-56.5171000108T187 G191 D192T187-I189 VanDerWaalsContact CG2-O 3.31Å; T187-I189 WeakPolarHBondContact CG2-O 3.41Å; T187-I189 PolarHBondContact OG1-N 3.36Å; T187-I189 PolarHBondContact OG1-O 2.82Å; I189-G191 VanDerWaalsContact C-N 3.27Å; I189-G191 PolarHBondContact O-N 3.03Å; I189-D192 PolarHBondContact O-N 3.01Å
190A81.8Confident87.8Confident4 Ų434 Ų343%0.03319%0.191CC..THydrogen-bonded Turntrans-55.9-40-178.600000113D192 I193 E194 L279 E280A190-D192 PolarHBondContact O-N 3.35Å; A190-I193 WeakPolarHBondContact O-CG1 2.99Å; A190-I193 PolarHBondContact O-N 2.97Å; A190-I193 VanDerWaalsContact O-N 3.11Å; A190-E194 PolarHBondContact O-N 2.84Å; A190-E194 VanDerWaalsContact O-N 3.17Å; A190-L279 HydrophobicContact CB-CB 4.23Å; A190-L279 HydrophobicContact CB-CD2 4.25Å; A190-L279 HydrophobicContact CB-CG 3.96Å; A190-L279 WeakPolarHBondContact O-CD2 3.3Å; A190-E280 HydrophobicContact CB-CB 4Å
191G80.2Confident88Confident29 Ų2928.1 Ų28.130%0.29916%0.159SC..Hα-helixtrans-61.9-17.3-17800000115.6I189I189-G191 VanDerWaalsContact C-N 3.27Å; I189-G191 PolarHBondContact O-N 3.03Å
192D80.8Confident88Confident13 Ų1326.3 Ų26.37%0.0715%0.152CC..Hα-helixtrans-72.6-31.5176.8-67.5-24.3000112.4T159 R171 T187 I189 A190T159-D192 WeakPolarHBondContact CB-OD2 3.33Å; T159-D192 HydrophobicContact CG2-CB 4.44Å; T159-D192 WeakPolarHBondContact CG2-OD2 3.21Å; T159-D192 PolarHBondContact OG1-OD2 3.27Å; R171-D192 WeakPolarHBondContact CD-O 3.35Å; T187-D192 HydrophobicContact CG2-CB 4.28Å; T187-D192 PolarHBondContact OG1-OD2 3.24Å; T187-D192 VanDerWaalsContact OG1-OD2 3.11Å; I189-D192 PolarHBondContact O-N 3.01Å; A190-D192 PolarHBondContact O-N 3.35Å
193I85.6Confident87.9Confident0 Ų026.3 Ų26.30%015%0.152CC..Hα-helixtrans-98.9-25.1-178.257.4162.1000112.5L33 L185 T187 A190 A195 A196 A197 V200 L279L33-I193 HydrophobicContact CD1-CD1 3.76Å; L33-I193 HydrophobicContact CD2-CD1 3.67Å; L33-I193 HydrophobicContact CD2-CG1 4.22Å; L33-I193 HydrophobicContact CG-CD1 3.57Å; L185-I193 HydrophobicContact CD2-CG2 3.68Å; L185-I193 HydrophobicContact CG-CG2 4.1Å; T187-I193 HydrophobicContact CG2-CG2 3.89Å; A190-I193 WeakPolarHBondContact O-CG1 2.99Å; A190-I193 PolarHBondContact O-N 2.97Å; A190-I193 VanDerWaalsContact O-N 3.11Å; I193-A195 PolarHBondContact O-N 2.87Å; I193-A195 VanDerWaalsContact O-N 3.08Å; I193-A196 PolarHBondContact O-N 2.82Å; I193-A196 VanDerWaalsContact O-N 3.15Å; I193-A197 HydrophobicContact CB-CB 3.97Å; I193-A197 WeakPolarHBondContact O-CB 3.5Å; I193-A197 PolarHBondContact O-N 2.85Å; I193-V200 HydrophobicContact CD1-CB 4.23Å; I193-V200 HydrophobicContact CD1-CG2 3.55Å; I193-L279 HydrophobicContact CD1-CD2 3.74Å; I193-L279 HydrophobicContact CG1-CD2 3.58Å
194E80.5Confident87.6Confident86 Ų8627.8 Ų27.840%0.40216%0.158SC..Hα-helixtrans-54.6-33.3-173.4-173.3169.5-145.300113.9A190 L279A190-E194 PolarHBondContact O-N 2.84Å; A190-E194 VanDerWaalsContact O-N 3.17Å; E194-L279 HydrophobicContact CB-CB 4.15Å; E194-L279 HydrophobicContact CB-CD2 3.81Å; E194-L279 HydrophobicContact CG-CB 3.94Å; E194-L279 HydrophobicContact CG-CD2 4.36Å; E194-L279 PolarHBondContact OE1-N 3.24Å
195A73.4Confident87.2Confident62 Ų6233.3 Ų33.351%0.51218%0.184SC..THydrogen-bonded Turntrans-88-11.9-174.700000114.9I193I193-A195 PolarHBondContact O-N 2.87Å; I193-A195 VanDerWaalsContact O-N 3.08Å
196A78.3Confident87.1Confident31 Ų3133.1 Ų33.126%0.25618%0.183SC..THydrogen-bonded Turntrans-152-8.8-168.400000115.9M29 A175 I193M29-A196 HydrophobicContact CE-CB 3.02Å; M29-A196 VanDerWaalsContact CE-O 3.31Å; M29-A196 WeakPolarHBondContact CE-O 3.36Å; A175-A196 HydrophobicContact CB-CB 3.85Å; I193-A196 PolarHBondContact O-N 2.82Å; I193-A196 VanDerWaalsContact O-N 3.15Å
197A89.2Confident87.1Confident9 Ų937.1 Ų37.17%0.07420%0.198CC..  trans-89.7140169.400000109.8M29 I193 I214M29-A197 HydrophobicContact CB-CB 4.39Å; M29-A197 HydrophobicContact CG-CB 4.04Å; M29-A197 WeakPolarHBondContact O-CA 3.5Å; M29-A197 WeakPolarHBondContact O-CB 3.32Å; I193-A197 HydrophobicContact CB-CB 3.97Å; I193-A197 WeakPolarHBondContact O-CB 3.5Å; I193-A197 PolarHBondContact O-N 2.85Å; A197-I214 HydrophobicContact CB-CD1 4.13Å; A197-I214 WeakPolarHBondContact O-CD1 3.08Å
198E90.3Very high87.3Confident142 Ų14239 Ų3966%0.66421%0.208SC*.SBendtrans-90.3-36172.5-67.1178-179.100111M29 S213 I214M29-E198 PolarHBondContact O-N 2.96Å; E198-S213 CarbonylContact O-C 3.58Å; E198-S213 VanDerWaalsContact O-CA 3.27Å; E198-S213 WeakPolarHBondContact O-CA 3.12Å; E198-I214 PolarHBondContact O-N 3.16Å
199N94.2Very high87.7Confident46 Ų4636.3 Ų36.325%0.24620%0.196CC..EExtended strand (participates in β ladder)trans-120.7144.6-174.1-64.4-59.2000111.2F30 G31 S213F30-N199 WeakPolarHBondContact CA-O 3.47Å; F30-N199 HydrophobicContact CD2-CB 3.66Å; F30-N199 HydrophobicContact CE2-CB 3.82Å; G31-N199 PolarHBondContact N-O 3.49Å; N199-S213 WeakPolarHBondContact OD1-CA 3.22Å
200V94.9Very high88.3Confident0 Ų035.4 Ų35.40%019%0.191CC..EExtended strand (participates in β ladder)trans-138.6138.9-179.465.90000110.9G31 L33 I193 F210 S211 D212 I214 L217G31-V200 CarbonylContact O-C 3.58Å; G31-V200 VanDerWaalsContact O-CA 3.25Å; G31-V200 WeakPolarHBondContact O-CA 3.38Å; G31-V200 WeakPolarHBondContact O-CG2 3.28Å; L33-V200 HydrophobicContact CB-CG2 4.35Å; L33-V200 HydrophobicContact CD1-CG2 3.9Å; L33-V200 HydrophobicContact CG-CG2 3.77Å; I193-V200 HydrophobicContact CD1-CB 4.23Å; I193-V200 HydrophobicContact CD1-CG2 3.55Å; V200-F210 HydrophobicContact CG1-CD1 4.23Å; V200-F210 HydrophobicContact CG1-CE1 3.82Å; V200-S211 WeakPolarHBondContact O-CA 3.48Å; V200-D212 PolarHBondContact N-O 2.98Å; V200-D212 PolarHBondContact O-N 3.02Å; V200-D212 VanDerWaalsContact O-N 3.11Å; V200-D212 VanDerWaalsContact O-O 3.06Å; V200-I214 HydrophobicContact CB-CG1 4.15Å; V200-I214 HydrophobicContact CG1-CG1 3.94Å; V200-L217 HydrophobicContact CG1-CD2 3.82Å
201A95.5Very high88.9Confident0 Ų037.6 Ų37.60%021%0.206CC..EExtended strand (participates in β ladder)trans-111.1141162.200000110.6L23 F30 G31 L32 L33 I208 F210L23-A201 HydrophobicContact CD1-CB 4.4Å; L23-A201 HydrophobicContact CD2-CB 3.62Å; F30-A201 HydrophobicContact CE1-CB 3.72Å; F30-A201 HydrophobicContact CZ-CB 3.67Å; G31-A201 PolarHBondContact O-N 3.22Å; L32-A201 CarbonylContact C-O 3.55Å; L32-A201 WeakPolarHBondContact CA-O 3.46Å; L32-A201 HydrophobicContact CD1-CB 4.1Å; L33-A201 PolarHBondContact N-O 3.48Å; A201-I208 HydrophobicContact CB-CD1 4.3Å; A201-I208 HydrophobicContact CB-CG2 4.49Å; A201-F210 CarbonylContact C-O 3.56Å; A201-F210 VanDerWaalsContact CA-O 3.25Å; A201-F210 WeakPolarHBondContact CA-O 3.42Å
202I94.4Very high89.6Confident0 Ų040.1 Ų40.10%021%0.212CC..EExtended strand (participates in β ladder)trans-109.3115.3174.2-60.8166.4000108.2L33 I208 I209 F210 L217 Y283 L286L33-I202 HydrophobicContact CB-CG1 4.04Å; L33-I202 HydrophobicContact CD1-CG1 4.44Å; L33-I202 WeakPolarHBondContact O-CA 3.36Å; I202-I208 WeakPolarHBondContact O-CA 3.29Å; I202-I209 HydrophobicContact CB-CD1 4.4Å; I202-I209 HydrophobicContact CB-CG1 3.88Å; I202-I209 HydrophobicContact CG2-CD1 3.64Å; I202-I209 HydrophobicContact CG2-CG1 3.58Å; I202-I209 WeakPolarHBondContact O-CG1 3.36Å; I202-I209 PolarHBondContact O-N 3.31Å; I202-F210 HydrophobicContact CB-CB 4.26Å; I202-F210 HydrophobicContact CD1-CB 4.15Å; I202-F210 HydrophobicContact CD1-CD1 4.21Å; I202-F210 HydrophobicContact CD1-CG 4.42Å; I202-F210 HydrophobicContact CG1-CB 4.44Å; I202-F210 PolarHBondContact N-O 3.16Å; I202-L217 HydrophobicContact CD1-CD1 3.98Å; I202-L217 HydrophobicContact CD1-CD2 3.69Å; I202-Y283 HydrophobicContact CD1-CD2 3.86Å; I202-Y283 HydrophobicContact CG1-CD2 4.18Å; I202-Y283 HydrophobicContact CG2-CD2 3.96Å; I202-Y283 HydrophobicContact CG2-CE2 3.59Å; I202-L286 HydrophobicContact CB-CD2 4.26Å; I202-L286 HydrophobicContact CD1-CD2 3.41Å; I202-L286 VanDerWaalsContact CD1-CD2 3.41Å; I202-L286 HydrophobicContact CG1-CD2 4.4Å; I202-L286 HydrophobicContact CG2-CD2 4.41Å
203L93.4Very high90.2Very high0 Ų040.9 Ų40.90%022%0.219CC..EExtended strand (participates in β ladder)trans-97.5125.7174.9-172.876.5000109.5L18 I21 L32 L33 G34 A38 K40 R207 I208L18-L203 HydrophobicContact CD2-CD1 4.47Å; L18-L203 HydrophobicContact CD2-CD2 4.33Å; I21-L203 HydrophobicContact CD1-CD1 3.58Å; L32-L203 HydrophobicContact CD1-CB 4.15Å; L33-L203 PolarHBondContact O-N 3.03Å; G34-L203 WeakPolarHBondContact CA-O 3.5Å; A38-L203 HydrophobicContact CB-CD2 4.42Å; A38-L203 HydrophobicContact CB-CG 4.35Å; A38-L203 VanDerWaalsContact CB-O 3.26Å; A38-L203 WeakPolarHBondContact CB-O 3.31Å; A38-L203 VanDerWaalsContact O-CD2 3.22Å; A38-L203 WeakPolarHBondContact O-CD2 3.43Å; A38-L203 WeakPolarHBondContact O-CG 3.4Å; K40-L203 HydrophobicContact CB-CD2 4.46Å; K40-L203 HydrophobicContact CG-CD2 4Å; K40-L203 VanDerWaalsContact N-CD2 3.29Å; L203-R207 WeakPolarHBondContact CA-O 2.98Å; L203-I208 HydrophobicContact CB-CD1 4.26Å; L203-I208 HydrophobicContact CD1-CD1 3.65Å; L203-I208 HydrophobicContact CD1-CG1 4.45Å
204E90.3Very high90.5Very high31 Ų3141.6 Ų41.615%0.14522%0.223CC..EExtended strand (participates in β ladder)trans-136.2127.5174.8-17465-168.400108.8R35 G206 R207 I209 L287R35-E204 WeakPolarHBondContact CD-OE1 2.99Å; R35-E204 WeakPolarHBondContact CD-OE2 3.29Å; R35-E204 WeakPolarHBondContact CG-OE2 3.33Å; R35-E204 IonicContact NH1-OE1 3.66Å; E204-G206 PolarHBondContact O-N 3.49Å; E204-G206 VanDerWaalsContact O-N 3.1Å; E204-R207 PolarHBondContact N-O 3.01Å; E204-R207 PolarHBondContact O-N 3.19Å; E204-I209 HydrophobicContact CB-CD1 3.9Å; E204-I209 HydrophobicContact CB-CG1 4.25Å; E204-I209 HydrophobicContact CB-CG2 4.05Å; E204-L287 HydrophobicContact CG-CD2 4.17Å
205Q88Confident91.1Very high120 Ų12044.1 Ų44.156%0.56124%0.235SC*.THydrogen-bonded Turntrans48.639179.9-59.6-178.71.500114.4
206G91.6Very high92.1Very high0 Ų044.6 Ų44.60%023%0.226CC..THydrogen-bonded Turntrans81.19.717800000115.2V17 L18 Y19 I21 A38 E204V17-G206 WeakPolarHBondContact O-CA 3.33Å; L18-G206 CarbonylContact C-O 3.59Å; L18-G206 WeakPolarHBondContact CA-O 3.42Å; Y19-G206 PolarHBondContact N-O 3.18Å; I21-G206 VanDerWaalsContact CD1-O 3.26Å; I21-G206 WeakPolarHBondContact CD1-O 3.49Å; A38-G206 VanDerWaalsContact O-CA 3.29Å; A38-G206 WeakPolarHBondContact O-CA 3.39Å; A38-G206 PolarHBondContact O-N 2.7Å; E204-G206 PolarHBondContact O-N 3.49Å; E204-G206 VanDerWaalsContact O-N 3.1Å
207R92.8Very high92.8Very high83 Ų8343.2 Ų43.231%0.31321%0.214SC..EExtended strand (participates in β ladder)trans-124.8144.3177.8-71.4174.9179.7156.93.2111.3Y19 L203 E204 I209 S296Y19-R207 HydrophobicContact CD2-CG 4.31Å; Y19-R207 HydrophobicContact CG-CG 4.31Å; L203-R207 WeakPolarHBondContact CA-O 2.98Å; E204-R207 PolarHBondContact N-O 3.01Å; E204-R207 PolarHBondContact O-N 3.19Å; R207-I209 PolarHBondContact O-N 3.35Å; R207-S296 WeakPolarHBondContact CD-OG 3.31Å; R207-S296 PolarHBondContact NH1-O 3.1Å; R207-S296 PolarHBondContact NH1-OG 3.33Å
208I94Very high92.9Very high40 Ų4044.7 Ų44.721%0.20522%0.221CC..EExtended strand (participates in β ladder)trans-76.2113.4169.9-58.6-58.3000108.1I21 L23 A201 I202 L203 F210I21-I208 HydrophobicContact CD1-CD1 4.18Å; I21-I208 HydrophobicContact CD1-CG1 3.85Å; I21-I208 HydrophobicContact CG2-CD1 4.33Å; I21-I208 HydrophobicContact CG2-CG1 3.97Å; L23-I208 HydrophobicContact CD1-CD1 3.85Å; L23-I208 HydrophobicContact CD1-CG1 4.29Å; L23-I208 HydrophobicContact CD2-CD1 4.12Å; L23-I208 HydrophobicContact CD2-CG1 4.07Å; L23-I208 HydrophobicContact CD2-CG2 4.13Å; L23-I208 HydrophobicContact CG-CD1 4.15Å; L23-I208 HydrophobicContact CG-CG1 4.07Å; A201-I208 HydrophobicContact CB-CD1 4.3Å; A201-I208 HydrophobicContact CB-CG2 4.49Å; I202-I208 WeakPolarHBondContact O-CA 3.29Å; L203-I208 HydrophobicContact CB-CD1 4.26Å; L203-I208 HydrophobicContact CD1-CD1 3.65Å; L203-I208 HydrophobicContact CD1-CG1 4.45Å; I208-F210 VanDerWaalsContact CG2-O 3.25Å; I208-F210 WeakPolarHBondContact CG2-O 3.5Å
209I91.7Very high93.1Very high25 Ų2541.6 Ų41.613%0.12821%0.209CC..EExtended strand (participates in β ladder)trans-94.4-14.5178.361.1164.5000112.6I202 E204 R207 L286 L287 K290I202-I209 HydrophobicContact CB-CD1 4.4Å; I202-I209 HydrophobicContact CB-CG1 3.88Å; I202-I209 HydrophobicContact CG2-CD1 3.64Å; I202-I209 HydrophobicContact CG2-CG1 3.58Å; I202-I209 WeakPolarHBondContact O-CG1 3.36Å; I202-I209 PolarHBondContact O-N 3.31Å; E204-I209 HydrophobicContact CB-CD1 3.9Å; E204-I209 HydrophobicContact CB-CG1 4.25Å; E204-I209 HydrophobicContact CB-CG2 4.05Å; R207-I209 PolarHBondContact O-N 3.35Å; I209-L286 HydrophobicContact CD1-CD2 3.71Å; I209-L286 HydrophobicContact CD1-CG 4.09Å; I209-L286 HydrophobicContact CG1-CD2 3.89Å; I209-L287 HydrophobicContact CD1-CD2 4.03Å; I209-K290 HydrophobicContact CB-CD 3.91Å; I209-K290 HydrophobicContact CD1-CD 4.3Å; I209-K290 HydrophobicContact CG2-CD 4.26Å; I209-K290 PolarHBondContact O-NZ 2.84Å
210F93.6Very high92.9Very high22 Ų2242.6 Ų42.610%0.09621%0.214CC..EExtended strand (participates in β ladder)trans-159.5141.8174.8177.2-90000108.6V200 A201 I202 I208 D212 Q216 L217 N220 L286V200-F210 HydrophobicContact CG1-CD1 4.23Å; V200-F210 HydrophobicContact CG1-CE1 3.82Å; A201-F210 CarbonylContact C-O 3.56Å; A201-F210 VanDerWaalsContact CA-O 3.25Å; A201-F210 WeakPolarHBondContact CA-O 3.42Å; I202-F210 HydrophobicContact CB-CB 4.26Å; I202-F210 HydrophobicContact CD1-CB 4.15Å; I202-F210 HydrophobicContact CD1-CD1 4.21Å; I202-F210 HydrophobicContact CD1-CG 4.42Å; I202-F210 HydrophobicContact CG1-CB 4.44Å; I202-F210 PolarHBondContact N-O 3.16Å; I208-F210 VanDerWaalsContact CG2-O 3.25Å; I208-F210 WeakPolarHBondContact CG2-O 3.5Å; F210-D212 HydrophobicContact CE1-CB 3.86Å; F210-D212 HydrophobicContact CE2-CB 4Å; F210-D212 HydrophobicContact CZ-CB 3.44Å; F210-D212 VanDerWaalsContact CZ-CB 3.44Å; F210-Q216 HydrophobicContact CE2-CG 4.42Å; F210-Q216 HydrophobicContact CZ-CB 4.31Å; F210-Q216 HydrophobicContact CZ-CG 4.44Å; F210-L217 HydrophobicContact CD1-CD1 4.19Å; F210-L217 HydrophobicContact CD1-CD2 4.4Å; F210-L217 HydrophobicContact CD2-CD1 4.28Å; F210-L217 HydrophobicContact CE1-CB 3.69Å; F210-L217 HydrophobicContact CE1-CD1 4.15Å; F210-L217 HydrophobicContact CE1-CD2 4.22Å; F210-L217 HydrophobicContact CE1-CG 4.23Å; F210-L217 HydrophobicContact CE2-CB 4.32Å; F210-L217 HydrophobicContact CE2-CD1 4.23Å; F210-L217 HydrophobicContact CG-CD1 4.25Å; F210-L217 HydrophobicContact CZ-CB 3.56Å; F210-L217 HydrophobicContact CZ-CD1 4.15Å; F210-L217 HydrophobicContact CZ-CG 4.35Å; F210-N220 WeakPolarHBondContact CE2-ND2 3.44Å; F210-L286 HydrophobicContact CB-CD2 3.46Å; F210-L286 VanDerWaalsContact CB-CD2 3.46Å; F210-L286 HydrophobicContact CG-CD2 4.23Å
211S94.4Very high92.8Very high51 Ų5142.6 Ų42.636%0.35721%0.214SC..EExtended strand (participates in β ladder)trans-154.896.9174.4173.40000108.5L23 V200L23-S211 VanDerWaalsContact CD2-OG 3.29Å; L23-S211 WeakPolarHBondContact CD2-OG 3.44Å; V200-S211 WeakPolarHBondContact O-CA 3.48Å
212D93.7Very high92.6Very high81 Ų8148.3 Ų48.343%0.43324%0.24SC..EExtended strand (participates in β ladder)trans-164.8-170.3-178.8-145.5-39.7000109.7V200 F210 Q216V200-D212 PolarHBondContact N-O 2.98Å; V200-D212 PolarHBondContact O-N 3.02Å; V200-D212 VanDerWaalsContact O-N 3.11Å; V200-D212 VanDerWaalsContact O-O 3.06Å; F210-D212 HydrophobicContact CE1-CB 3.86Å; F210-D212 HydrophobicContact CE2-CB 4Å; F210-D212 HydrophobicContact CZ-CB 3.44Å; F210-D212 VanDerWaalsContact CZ-CB 3.44Å; D212-Q216 HydrophobicContact CB-CB 4.18Å; D212-Q216 HydrophobicContact CB-CG 4.3Å
213S93.8Very high92.4Very high30 Ų3049.5 Ų49.521%0.2125%0.253CS..EExtended strand (participates in β ladder)trans-63.3152.5173.475.70000112.5E198 N199 E215 Q216 L217E198-S213 CarbonylContact O-C 3.58Å; E198-S213 VanDerWaalsContact O-CA 3.27Å; E198-S213 WeakPolarHBondContact O-CA 3.12Å; N199-S213 WeakPolarHBondContact OD1-CA 3.22Å; S213-E215 PolarHBondContact O-N 3.47Å; S213-Q216 PolarHBondContact O-N 3.32Å; S213-Q216 WeakPolarHBondContact OG-CB 3.32Å; S213-Q216 PolarHBondContact OG-N 3.19Å; S213-L217 PolarHBondContact O-N 3.48Å; S213-L217 VanDerWaalsContact O-N 3.15Å
214I92.8Very high92.4Very high14 Ų1453.5 Ų53.57%0.07227%0.27CS..Hα-helixtrans-59.4-37.7171.3-72.3-174.5000110.6A197 E198 V200 Q216 L217 L218 L279A197-I214 HydrophobicContact CB-CD1 4.13Å; A197-I214 WeakPolarHBondContact O-CD1 3.08Å; E198-I214 PolarHBondContact O-N 3.16Å; V200-I214 HydrophobicContact CB-CG1 4.15Å; V200-I214 HydrophobicContact CG1-CG1 3.94Å; I214-Q216 VanDerWaalsContact C-N 3.33Å; I214-Q216 PolarHBondContact O-N 2.9Å; I214-L217 WeakPolarHBondContact O-CB 3.45Å; I214-L217 PolarHBondContact O-N 3.37Å; I214-L217 VanDerWaalsContact O-N 3.16Å; I214-L218 HydrophobicContact CG2-CD1 4.01Å; I214-L218 HydrophobicContact CG2-CG 4.27Å; I214-L218 WeakPolarHBondContact O-CG 3.26Å; I214-L218 PolarHBondContact O-N 3.09Å; I214-L279 HydrophobicContact CD1-CD2 3.96Å; I214-L279 HydrophobicContact CG1-CD1 4.46Å; I214-L279 HydrophobicContact CG2-CD1 4.12Å
215E93.5Very high92.5Very high140 Ų14052 Ų5265%0.65426%0.263SS*.Hα-helixtrans-56.7-47175.5-175179.1-179.300111.4S213 L217 L218 L219S213-E215 PolarHBondContact O-N 3.47Å; E215-L217 VanDerWaalsContact C-N 3.3Å; E215-L217 PolarHBondContact O-N 3.23Å; E215-L218 PolarHBondContact O-N 2.83Å; E215-L219 HydrophobicContact CG-CD1 4.27Å; E215-L219 WeakPolarHBondContact O-CG 3.29Å; E215-L219 PolarHBondContact O-N 3.04Å
216Q93.9Very high92.7Very high71 Ų7147.7 Ų47.733%0.33224%0.243SC..Hα-helixtrans-64.2-36178.1-171.958.346.600112.2F210 D212 S213 I214 L219 N220F210-Q216 HydrophobicContact CE2-CG 4.42Å; F210-Q216 HydrophobicContact CZ-CB 4.31Å; F210-Q216 HydrophobicContact CZ-CG 4.44Å; D212-Q216 HydrophobicContact CB-CB 4.18Å; D212-Q216 HydrophobicContact CB-CG 4.3Å; S213-Q216 PolarHBondContact O-N 3.32Å; S213-Q216 WeakPolarHBondContact OG-CB 3.32Å; S213-Q216 PolarHBondContact OG-N 3.19Å; I214-Q216 VanDerWaalsContact C-N 3.33Å; I214-Q216 PolarHBondContact O-N 2.9Å; Q216-L219 PolarHBondContact O-N 2.94Å; Q216-N220 PolarHBondContact NE2-OD1 3.19Å; Q216-N220 PolarHBondContact O-N 2.93Å; Q216-N220 VanDerWaalsContact O-N 3.09Å; Q216-N220 PolarHBondContact O-ND2 2.86Å; Q216-N220 PolarHBondContact O-OD1 3Å
217L91.7Very high92.8Very high2 Ų247.7 Ų47.71%0.0124%0.243CC..Hα-helixtrans-64.9-42.9175.2-17553.7000111.6V200 I202 F210 S213 I214 E215 N220 A221 L279 A282 L286V200-L217 HydrophobicContact CG1-CD2 3.82Å; I202-L217 HydrophobicContact CD1-CD1 3.98Å; I202-L217 HydrophobicContact CD1-CD2 3.69Å; F210-L217 HydrophobicContact CD1-CD1 4.19Å; F210-L217 HydrophobicContact CD1-CD2 4.4Å; F210-L217 HydrophobicContact CD2-CD1 4.28Å; F210-L217 HydrophobicContact CE1-CB 3.69Å; F210-L217 HydrophobicContact CE1-CD1 4.15Å; F210-L217 HydrophobicContact CE1-CD2 4.22Å; F210-L217 HydrophobicContact CE1-CG 4.23Å; F210-L217 HydrophobicContact CE2-CB 4.32Å; F210-L217 HydrophobicContact CE2-CD1 4.23Å; F210-L217 HydrophobicContact CG-CD1 4.25Å; F210-L217 HydrophobicContact CZ-CB 3.56Å; F210-L217 HydrophobicContact CZ-CD1 4.15Å; F210-L217 HydrophobicContact CZ-CG 4.35Å; S213-L217 PolarHBondContact O-N 3.48Å; S213-L217 VanDerWaalsContact O-N 3.15Å; I214-L217 WeakPolarHBondContact O-CB 3.45Å; I214-L217 PolarHBondContact O-N 3.37Å; I214-L217 VanDerWaalsContact O-N 3.16Å; E215-L217 VanDerWaalsContact C-N 3.3Å; E215-L217 PolarHBondContact O-N 3.23Å; L217-N220 WeakPolarHBondContact O-CB 3.45Å; L217-N220 PolarHBondContact O-N 2.96Å; L217-A221 PolarHBondContact O-N 3.02Å; L217-L279 HydrophobicContact CD2-CD1 3.51Å; L217-L279 HydrophobicContact CG-CD1 4.29Å; L217-A282 HydrophobicContact CD1-CB 4.31Å; L217-A282 HydrophobicContact CG-CB 3.87Å; L217-L286 HydrophobicContact CD1-CD2 4.48Å
218L93.3Very high92.8Very high40 Ų4043.8 Ų43.821%0.20923%0.229CC..Hα-helixtrans-65.7-41.8176.6-66.9174.2000111.8I214 E215 N220 A221 Q222 P277 T278 A282I214-L218 HydrophobicContact CG2-CD1 4.01Å; I214-L218 HydrophobicContact CG2-CG 4.27Å; I214-L218 WeakPolarHBondContact O-CG 3.26Å; I214-L218 PolarHBondContact O-N 3.09Å; E215-L218 PolarHBondContact O-N 2.83Å; L218-N220 VanDerWaalsContact C-N 3.28Å; L218-N220 PolarHBondContact O-N 3.22Å; L218-A221 CarbonylContact O-C 3.6Å; L218-A221 PolarHBondContact O-N 3.4Å; L218-Q222 PolarHBondContact O-N 3.35Å; L218-Q222 VanDerWaalsContact O-N 3.14Å; L218-P277 HydrophobicContact CD2-CB 4.43Å; L218-P277 WeakPolarHBondContact O-CG 3.4Å; L218-T278 VanDerWaalsContact CD2-C 3.42Å; L218-T278 WeakPolarHBondContact CD2-O 3.07Å; L218-A282 HydrophobicContact CD2-CB 4.19Å
219L93.4Very high92.7Very high78 Ų7846.5 Ų46.541%0.40824%0.24SC..Hα-helixtrans-58-40.7174.7-74.9171.4000111.6E215 Q216 A221 Q222E215-L219 HydrophobicContact CG-CD1 4.27Å; E215-L219 WeakPolarHBondContact O-CG 3.29Å; E215-L219 PolarHBondContact O-N 3.04Å; Q216-L219 PolarHBondContact O-N 2.94Å; L219-A221 PolarHBondContact O-N 3.35Å; L219-Q222 WeakPolarHBondContact O-CB 3.39Å; L219-Q222 PolarHBondContact O-N 3.19Å; L219-Q222 VanDerWaalsContact O-N 3.14Å
220N90.7Very high92.5Very high67 Ų6745.5 Ų45.536%0.35824%0.235SC..Hα-helixtrans-62-26176.6-68.3-20.2000113.1F210 Q216 L217 L218 Y285F210-N220 WeakPolarHBondContact CE2-ND2 3.44Å; Q216-N220 PolarHBondContact NE2-OD1 3.19Å; Q216-N220 PolarHBondContact O-N 2.93Å; Q216-N220 VanDerWaalsContact O-N 3.09Å; Q216-N220 PolarHBondContact O-ND2 2.86Å; Q216-N220 PolarHBondContact O-OD1 3Å; L217-N220 WeakPolarHBondContact O-CB 3.45Å; L217-N220 PolarHBondContact O-N 2.96Å; L218-N220 VanDerWaalsContact C-N 3.28Å; L218-N220 PolarHBondContact O-N 3.22Å; N220-Y285 WeakPolarHBondContact O-CE1 3.25Å
221A91.4Very high92.3Very high0 Ų047 Ų470%025%0.248CC..Hα-helixtrans-95.6-5.4179.200000113.8L217 L218 L219 K224 P277 A282 Y285L217-A221 PolarHBondContact O-N 3.02Å; L218-A221 CarbonylContact O-C 3.6Å; L218-A221 PolarHBondContact O-N 3.4Å; L219-A221 PolarHBondContact O-N 3.35Å; A221-K224 WeakPolarHBondContact O-CB 3.31Å; A221-K224 PolarHBondContact O-N 2.95Å; A221-K224 VanDerWaalsContact O-N 3.12Å; A221-P277 HydrophobicContact CB-CB 3.79Å; A221-P277 HydrophobicContact CB-CG 4.18Å; A221-A282 HydrophobicContact CB-CB 3.6Å; A221-Y285 HydrophobicContact CB-CD1 4.14Å
222Q91.5Very high91.8Very high119 Ų11950.3 Ų50.356%0.55625%0.252SS*.THydrogen-bonded Turntrans-62.7137.4178.9-168173.210.100111L218 L219 K224L218-Q222 PolarHBondContact O-N 3.35Å; L218-Q222 VanDerWaalsContact O-N 3.14Å; L219-Q222 WeakPolarHBondContact O-CB 3.39Å; L219-Q222 PolarHBondContact O-N 3.19Å; L219-Q222 VanDerWaalsContact O-N 3.14Å; Q222-K224 PolarHBondContact O-N 3.49Å
223G91.6Very high91.5Very high26 Ų2652.3 Ų52.327%0.26827%0.268SS..THydrogen-bonded Turntrans69.610.8-174.300000115F226 E274G223-F226 WeakPolarHBondContact O-CZ 3.47Å; G223-E274 WeakPolarHBondContact CA-OE1 3.26Å; G223-E274 PolarHBondContact N-OE1 3.41Å; G223-E274 VanDerWaalsContact N-OE1 3.16Å
224K91.7Very high91Very high83 Ų8355.2 Ų55.236%0.36128%0.278SS..THydrogen-bonded Turntrans-116-13.4-179.7-51.5-61174.7-165.10113.7A221 Q222 F226 G260 Y285A221-K224 WeakPolarHBondContact O-CB 3.31Å; A221-K224 PolarHBondContact O-N 2.95Å; A221-K224 VanDerWaalsContact O-N 3.12Å; Q222-K224 PolarHBondContact O-N 3.49Å; K224-F226 VanDerWaalsContact C-CE2 3.5Å; K224-G260 PolarHBondContact O-N 3.07Å; K224-Y285 HydrophobicContact CB-CD2 4.03Å; K224-Y285 HydrophobicContact CB-CE2 3.9Å; K224-Y285 HydrophobicContact CB-CG 4.43Å; K224-Y285 HydrophobicContact CD-CE2 4.18Å; K224-Y285 HydrophobicContact CG-CD2 4.37Å; K224-Y285 HydrophobicContact CG-CE1 4.06Å; K224-Y285 HydrophobicContact CG-CE2 3.81Å
225I92.4Very high90.5Very high0 Ų055 Ų550%028%0.277CS..EExtended strand (participates in β ladder)trans-108.7130.5-176.3-49.4-55.4000108.8I245 R257 I259 E275 P277 D281I225-I245 HydrophobicContact CD1-CD1 3.94Å; I225-I245 HydrophobicContact CG2-CD1 4.26Å; I225-R257 HydrophobicContact CG2-CG 4.06Å; I225-I259 HydrophobicContact CD1-CG1 4.24Å; I225-E275 HydrophobicContact CB-CB 4.46Å; I225-E275 HydrophobicContact CG2-CB 4.08Å; I225-E275 PolarHBondContact O-N 2.97Å; I225-P277 HydrophobicContact CG1-CB 3.96Å; I225-D281 HydrophobicContact CD1-CB 3.81Å; I225-D281 HydrophobicContact CG1-CB 3.82Å; I225-D281 HydrophobicContact CG2-CB 4.25Å
226F93.6Very high90Very high29 Ų2953.6 Ų53.613%0.12727%0.274CS..EExtended strand (participates in β ladder)trans-134.9156.2-175.7-60.5-88.8000110.3G223 K224 R257 F258 G260 M267 V272 I273 E274G223-F226 WeakPolarHBondContact O-CZ 3.47Å; K224-F226 VanDerWaalsContact C-CE2 3.5Å; F226-R257 CarbonylContact O-C 3.58Å; F226-R257 WeakPolarHBondContact O-CA 3.28Å; F226-F258 HydrophobicContact CB-CD2 4.4Å; F226-F258 HydrophobicContact CB-CE1 3.96Å; F226-F258 HydrophobicContact CB-CE2 3.82Å; F226-F258 HydrophobicContact CB-CZ 3.57Å; F226-F258 PolarHBondContact N-O 3.17Å; F226-F258 WeakPolarHBondContact O-CD1 3.12Å; F226-F258 PolarHBondContact O-N 3.03Å; F226-G260 VanDerWaalsContact CD2-CA 3.48Å; F226-M267 HydrophobicContact CD1-CE 3.93Å; F226-M267 HydrophobicContact CD2-CE 3.84Å; F226-M267 HydrophobicContact CD2-SD 4.1Å; F226-M267 HydrophobicContact CE1-CE 3.74Å; F226-M267 HydrophobicContact CE2-CE 3.65Å; F226-M267 HydrophobicContact CE2-SD 4.38Å; F226-M267 HydrophobicContact CG-CE 3.99Å; F226-M267 HydrophobicContact CG-SD 4.29Å; F226-M267 HydrophobicContact CZ-CE 3.6Å; F226-V272 HydrophobicContact CB-CG1 3.91Å; F226-V272 HydrophobicContact CD1-CG1 3.85Å; F226-V272 HydrophobicContact CG-CG1 4.18Å; F226-I273 CarbonylContact C-O 3.29Å; F226-I273 WeakPolarHBondContact CA-O 3.47Å; F226-E274 HydrophobicContact CD1-CB 4.16Å; F226-E274 HydrophobicContact CE1-CB 3.96Å; F226-E274 HydrophobicContact CE1-CG 4.21Å
227S92.8Very high89.4Confident1 Ų152.6 Ų52.61%0.00728%0.278CS..EExtended strand (participates in β ladder)trans-128.5155.6168.269.40000111.9L256 V272 I273 E275S227-L256 CarbonylContact C-O 3.52Å; S227-L256 WeakPolarHBondContact CA-O 3.3Å; S227-L256 VanDerWaalsContact CB-O 3.31Å; S227-L256 WeakPolarHBondContact CB-O 3.49Å; S227-V272 WeakPolarHBondContact O-CA 3.11Å; S227-I273 PolarHBondContact N-O 3.35Å; S227-I273 PolarHBondContact O-N 2.75Å; S227-I273 WeakPolarHBondContact OG-CD1 3.25Å; S227-I273 WeakPolarHBondContact OG-CG1 3.29Å; S227-E275 WeakPolarHBondContact CB-OE1 3.45Å; S227-E275 WeakPolarHBondContact OG-CG 3.22Å; S227-E275 PolarHBondContact OG-OE1 2.94Å
228V92.6Very high88.8Confident1 Ų152.8 Ų52.81%0.00628%0.279CS..EExtended strand (participates in β ladder)trans-151.9140.3176.766.30000110V230 L256 F258 I266 H269 L271 V272V228-V230 HydrophobicContact CG1-CG1 4Å; V228-V230 HydrophobicContact CG2-CG1 3.9Å; V228-L256 HydrophobicContact CG1-CB 4.12Å; V228-L256 PolarHBondContact N-O 2.59Å; V228-L256 PolarHBondContact O-N 3.45Å; V228-F258 HydrophobicContact CB-CE1 4.11Å; V228-F258 HydrophobicContact CG1-CD1 4.29Å; V228-F258 HydrophobicContact CG1-CE1 3.61Å; V228-F258 HydrophobicContact CG1-CZ 4.46Å; V228-I266 HydrophobicContact CG1-CD1 3.97Å; V228-I266 HydrophobicContact CG1-CG1 4.38Å; V228-H269 WeakPolarHBondContact CG2-ND1 3.1Å; V228-L271 HydrophobicContact CG2-CB 4.31Å; V228-V272 HydrophobicContact CB-CG2 4.06Å; V228-V272 HydrophobicContact CG2-CG2 4Å
229Q91.5Very high88Confident96 Ų9655.7 Ų55.745%0.44929%0.29SS..EExtended strand (participates in β ladder)trans-95.4122.5167.8-167.4175.414.400109.4T253 S254Q229-T253 HydrophobicContact CG-CG2 4.47Å; Q229-T253 PolarHBondContact NE2-OG1 2.77Å; Q229-S254 WeakPolarHBondContact CA-O 3.4Å
230V89.2Confident87.2Confident4 Ų457.5 Ų57.52%0.02430%0.295CS..EExtended strand (participates in β ladder)trans-126.8152.4178.7-57.30000111.3V228 E234 T253 S254 L256V228-V230 HydrophobicContact CG1-CG1 4Å; V228-V230 HydrophobicContact CG2-CG1 3.9Å; V230-E234 HydrophobicContact CB-CB 4.39Å; V230-T253 CarbonylContact O-C 3.49Å; V230-T253 WeakPolarHBondContact O-CA 3.4Å; V230-S254 PolarHBondContact N-O 2.82Å; V230-S254 PolarHBondContact O-N 2.97Å; V230-L256 HydrophobicContact CG2-CD1 3.44Å; V230-L256 VanDerWaalsContact CG2-CD1 3.44Å
231P89.1Confident86.4Confident55 Ų5557.2 Ų57.236%0.35729%0.292SS..EExtended strand (participates in β ladder)trans-58.3146.4167.5-22.634.1000111.5T233 E234P231-T233 PolarHBondContact O-N 3.15Å; P231-E234 PolarHBondContact O-N 2.81Å
232R84.5Confident85.8Confident119 Ų11957.8 Ų57.845%0.44930%0.295SS..THydrogen-bonded Turntrans-54.5-29.1177.9-79.7-176177-167.35.3113.8E234 L235 G251 S252R232-E234 PolarHBondContact O-N 3.39Å; R232-L235 WeakPolarHBondContact O-CB 3.42Å; R232-L235 PolarHBondContact O-N 3.41Å; R232-G251 PolarHBondContact NE-O 2.95Å; R232-G251 PolarHBondContact NH2-O 3.35Å; R232-S252 PolarHBondContact N-O 2.84Å; R232-S252 VanDerWaalsContact N-O 3.1Å
233T85.5Confident85.2Confident124 Ų12456.5 Ų56.576%0.76129%0.289SS*.THydrogen-bonded Turntrans-63.4-28.4177.146.90000113.1P231P231-T233 PolarHBondContact O-N 3.15Å
234E84.2Confident84.7Confident91 Ų9157.4 Ų57.443%0.42529%0.287SS..THydrogen-bonded Turntrans-95.8-11.8-177-66.5179.7-152.800113.2V230 P231 R232 N236 A237 A238V230-E234 HydrophobicContact CB-CB 4.39Å; P231-E234 PolarHBondContact O-N 2.81Å; R232-E234 PolarHBondContact O-N 3.39Å; E234-N236 PolarHBondContact O-N 2.97Å; E234-N236 VanDerWaalsContact O-N 3.14Å; E234-A237 WeakPolarHBondContact O-CB 3.46Å; E234-A237 PolarHBondContact O-N 2.91Å; E234-A238 PolarHBondContact O-N 2.96Å
235L82.2Confident84.3Confident10 Ų1055 Ų555%0.05228%0.278CS..Hα-helixtrans-52.9-39.6-177.4177.360.8000113.2R232 A238 K239 L247 L256R232-L235 WeakPolarHBondContact O-CB 3.42Å; R232-L235 PolarHBondContact O-N 3.41Å; L235-A238 PolarHBondContact O-N 2.91Å; L235-K239 HydrophobicContact CD1-CD 4.43Å; L235-K239 HydrophobicContact CD1-CG 4.43Å; L235-K239 HydrophobicContact CG-CD 4.24Å; L235-K239 WeakPolarHBondContact O-CB 3.29Å; L235-K239 WeakPolarHBondContact O-CG 3.43Å; L235-K239 PolarHBondContact O-N 3.16Å; L235-L247 HydrophobicContact CD1-CD1 3.56Å; L235-L247 HydrophobicContact CD1-CD2 4.14Å; L235-L247 HydrophobicContact CD2-CD1 4.28Å; L235-L247 HydrophobicContact CD2-CD2 3.98Å; L235-L256 HydrophobicContact CD1-CD1 4Å; L235-L256 HydrophobicContact CD1-CD2 3.99Å; L235-L256 HydrophobicContact CD1-CG 4.14Å
236N82.6Confident83.7Confident109 Ų10957.3 Ų57.358%0.58329%0.294SS*.Hα-helixtrans-70.7-31.7179.3-73.9-24000112.8E234 K240E234-N236 PolarHBondContact O-N 2.97Å; E234-N236 VanDerWaalsContact O-N 3.14Å; N236-K240 WeakPolarHBondContact O-CD 3.3Å; N236-K240 WeakPolarHBondContact O-CG 3.36Å
237A82.2Confident83.3Confident51 Ų5158.7 Ų58.742%0.42130%0.302SS..Hα-helixtrans-71.6-42.7174.500000110.4E234 K240 Q241E234-A237 WeakPolarHBondContact O-CB 3.46Å; E234-A237 PolarHBondContact O-N 2.91Å; A237-K240 PolarHBondContact O-N 3.1Å; A237-Q241 WeakPolarHBondContact O-CG 3.45Å
238A78.2Confident82.8Confident5 Ų564.8 Ų64.84%0.04133%0.331CS..Hα-helixtrans-60.1-46.9175.900000112.5E234 L235 K240 Q241 V242 L256 I266E234-A238 PolarHBondContact O-N 2.96Å; L235-A238 PolarHBondContact O-N 2.91Å; A238-K240 PolarHBondContact O-N 2.79Å; A238-Q241 PolarHBondContact O-N 2.6Å; A238-V242 WeakPolarHBondContact O-CG2 3.34Å; A238-V242 PolarHBondContact O-N 2.83Å; A238-L256 HydrophobicContact CB-CD2 3.65Å; A238-I266 HydrophobicContact CB-CD1 3.53Å
239K76.6Confident82.4Confident102 Ų10269.7 Ų69.744%0.44335%0.354SS..Hα-helixtrans-52.5-27.8178.1-87.1174178.1-169.20115.1L235 I244L235-K239 HydrophobicContact CD1-CD 4.43Å; L235-K239 HydrophobicContact CD1-CG 4.43Å; L235-K239 HydrophobicContact CG-CD 4.24Å; L235-K239 WeakPolarHBondContact O-CB 3.29Å; L235-K239 WeakPolarHBondContact O-CG 3.43Å; L235-K239 PolarHBondContact O-N 3.16Å; K239-I244 HydrophobicContact CB-CD1 4.19Å; K239-I244 HydrophobicContact CG-CD1 3.35Å
240K76.7Confident81.8Confident115 Ų11571.2 Ų71.250%0.537%0.365SS..Hα-helixtrans-86.5-22.2-177.1-66.7169.9172.1-134.40113.4N236 A237 A238 D640N236-K240 WeakPolarHBondContact O-CD 3.3Å; N236-K240 WeakPolarHBondContact O-CG 3.36Å; A237-K240 PolarHBondContact O-N 3.1Å; A238-K240 PolarHBondContact O-N 2.79Å; K240-D640 WeakPolarHBondContact CD-OD2 3.46Å; K240-D640 WeakPolarHBondContact CE-OD2 3.46Å; K240-D640 VanDerWaalsContact CG-OD2 3.25Å; K240-D640 WeakPolarHBondContact CG-OD2 3.36Å; K240-D640 IonicContact NZ-OD2 2.73Å; K240-D640 PolarHBondContact NZ-OD2 3.38Å
241Q75.1Confident81.4Confident62 Ų6273.4 Ų73.429%0.2939%0.388SS..Hα-helixtrans-94-28.7-172.7-63.6179.926.700112.8A237 A238 A264 S265A237-Q241 WeakPolarHBondContact O-CG 3.45Å; A238-Q241 PolarHBondContact O-N 2.6Å; Q241-A264 HydrophobicContact CB-CB 4.09Å; Q241-S265 VanDerWaalsContact CD-OG 3.25Å; Q241-S265 PolarHBondContact NE2-OG 3.37Å; Q241-S265 PolarHBondContact OE1-OG 3.29Å
242V78.2Confident81.1Confident11 Ų1175.3 Ų75.37%0.06740%0.403CS..SBendtrans-136.3152.3-172.4-68.70000111.6A238 I244 F258 A264 I266A238-V242 WeakPolarHBondContact O-CG2 3.34Å; A238-V242 PolarHBondContact O-N 2.83Å; V242-I244 HydrophobicContact CG2-CG1 4.35Å; V242-I244 PolarHBondContact O-N 3.48Å; V242-F258 HydrophobicContact CB-CB 4.17Å; V242-F258 HydrophobicContact CB-CD2 3.69Å; V242-F258 HydrophobicContact CB-CE2 4.42Å; V242-F258 HydrophobicContact CB-CG 4.16Å; V242-F258 HydrophobicContact CG1-CD2 3.67Å; V242-F258 HydrophobicContact CG1-CE2 3.94Å; V242-F258 HydrophobicContact CG2-CB 3.87Å; V242-F258 HydrophobicContact CG2-CD2 3.76Å; V242-F258 HydrophobicContact CG2-CE2 4.45Å; V242-F258 HydrophobicContact CG2-CG 3.81Å; V242-A264 HydrophobicContact CG1-CB 3.77Å; V242-I266 HydrophobicContact CB-CG2 4.5Å; V242-I266 HydrophobicContact CG1-CG2 3.42Å; V242-I266 VanDerWaalsContact CG1-CG2 3.42Å; V242-I266 HydrophobicContact CG2-CD1 4.37Å; V242-I266 HydrophobicContact CG2-CG2 4.27Å
243Q79.2Confident81.2Confident92 Ų9271.4 Ų71.443%0.4339%0.392SS..EExtended strand (participates in β ladder)trans-79107.8170-176176-17.400109F258 I259Q243-F258 WeakPolarHBondContact O-CA 3.17Å; Q243-F258 WeakPolarHBondContact O-CB 3.32Å; Q243-I259 HydrophobicContact CB-CD1 4.38Å; Q243-I259 HydrophobicContact CG-CD1 4.21Å; Q243-I259 PolarHBondContact O-N 3.49Å
244I81.5Confident81.2Confident46 Ų4665.5 Ų65.524%0.23636%0.356CS..EExtended strand (participates in β ladder)trans-77.3131.5177.9-64.6172.6000109.5K239 V242 S246 L247 L256 F258K239-I244 HydrophobicContact CB-CD1 4.19Å; K239-I244 HydrophobicContact CG-CD1 3.35Å; V242-I244 HydrophobicContact CG2-CG1 4.35Å; V242-I244 PolarHBondContact O-N 3.48Å; I244-S246 WeakPolarHBondContact CG2-O 3.5Å; I244-L247 HydrophobicContact CG2-CB 4.43Å; I244-L256 HydrophobicContact CD1-CD2 3.67Å; I244-L256 HydrophobicContact CD1-CG 4.41Å; I244-L256 HydrophobicContact CG1-CD2 4.21Å; I244-F258 HydrophobicContact CG1-CB 4.46Å
245I82.4Confident81.5Confident32 Ų3264.4 Ų64.416%0.16435%0.351CS..EExtended strand (participates in β ladder)trans-90.5-49.4173-62.6164.5000109.6I225 R257 I259 D281 L284I225-I245 HydrophobicContact CD1-CD1 3.94Å; I225-I245 HydrophobicContact CG2-CD1 4.26Å; I245-R257 PolarHBondContact N-O 3.29Å; I245-I259 HydrophobicContact CD1-CD1 4.48Å; I245-I259 HydrophobicContact CD1-CG1 3.69Å; I245-I259 HydrophobicContact CG1-CD1 4.45Å; I245-I259 HydrophobicContact CG1-CG1 4Å; I245-D281 HydrophobicContact CD1-CB 4.06Å; I245-D281 WeakPolarHBondContact CD1-OD1 3.48Å; I245-D281 WeakPolarHBondContact CG2-OD1 3.5Å; I245-L284 HydrophobicContact CB-CD1 4.22Å; I245-L284 HydrophobicContact CG1-CD1 4.01Å; I245-L284 HydrophobicContact CG2-CD1 3.65Å
246S79.4Confident81.8Confident48 Ų4864 Ų6434%0.33635%0.348SS..EExtended strand (participates in β ladder)trans-139.6145.8-178.8-177.10000111.7I244 R257I244-S246 WeakPolarHBondContact CG2-O 3.5Å; S246-R257 PolarHBondContact N-O 3.09Å; S246-R257 VanDerWaalsContact N-O 3.1Å; S246-R257 PolarHBondContact O-N 3.47Å
247L84.8Confident82.2Confident59 Ų5960.5 Ų60.531%0.30933%0.327SS..EExtended strand (participates in β ladder)trans-133.2117.1177.2172.765.3000108.8L235 I244 Q249 L256L235-L247 HydrophobicContact CD1-CD1 3.56Å; L235-L247 HydrophobicContact CD1-CD2 4.14Å; L235-L247 HydrophobicContact CD2-CD1 4.28Å; L235-L247 HydrophobicContact CD2-CD2 3.98Å; I244-L247 HydrophobicContact CG2-CB 4.43Å; L247-Q249 HydrophobicContact CD1-CG 4.42Å; L247-Q249 HydrophobicContact CG-CG 4.32Å; L247-L256 HydrophobicContact CD1-CD1 4.17Å; L247-L256 HydrophobicContact CD1-CG 4.1Å
248Q83.7Confident82.5Confident128 Ų12858 Ų5860%0.59831%0.307SS*.EExtended strand (participates in β ladder)trans-114131171.1-65.2178.60.300108.9S254 H255Q248-S254 CarbonylContact O-C 3.6Å; Q248-S254 WeakPolarHBondContact O-CA 3.23Å; Q248-H255 HydrophobicContact CB-CB 4.41Å; Q248-H255 PolarHBondContact N-O 3.42Å; Q248-H255 PolarHBondContact O-N 3.48Å
249Q82.9Confident83Confident105 Ų10558.4 Ų58.449%0.49131%0.308SS..EExtended strand (participates in β ladder)trans-108.8122.4-179.6-64.7-172.7-28.400109.3L247L247-Q249 HydrophobicContact CD1-CG 4.42Å; L247-Q249 HydrophobicContact CG-CG 4.32Å
250D79.5Confident83.3Confident128 Ų12854.2 Ų54.268%0.68429%0.294SS*.EExtended strand (participates in β ladder)trans-125.9110.3175.6-172.59.9000109.7S252 T253D250-S252 PolarHBondContact O-N 2.96Å; D250-T253 PolarHBondContact N-O 3Å; D250-T253 VanDerWaalsContact N-O 3.09Å; D250-T253 PolarHBondContact O-N 2.7Å; D250-T253 PolarHBondContact O-OG1 2.92Å
251G80.8Confident83.6Confident50 Ų5052.3 Ų52.352%0.51529%0.289SS..THydrogen-bonded Turntrans52-113-179.500000113R232R232-G251 PolarHBondContact NE-O 2.95Å; R232-G251 PolarHBondContact NH2-O 3.35Å
252S82.6Confident83.7Confident95 Ų9555.1 Ų55.166%0.66431%0.313SS*.THydrogen-bonded Turntrans-86.9-8.7-179.3550000114.5R232 D250R232-S252 PolarHBondContact N-O 2.84Å; R232-S252 VanDerWaalsContact N-O 3.1Å; D250-S252 PolarHBondContact O-N 2.96Å
253T87.3Confident83.7Confident36 Ų3658.6 Ų58.622%0.22134%0.343CS..EExtended strand (participates in β ladder)trans-114.1163.8-174.969.70000112.3Q229 V230 D250Q229-T253 HydrophobicContact CG-CG2 4.47Å; Q229-T253 PolarHBondContact NE2-OG1 2.77Å; V230-T253 CarbonylContact O-C 3.49Å; V230-T253 WeakPolarHBondContact O-CA 3.4Å; D250-T253 PolarHBondContact N-O 3Å; D250-T253 VanDerWaalsContact N-O 3.09Å; D250-T253 PolarHBondContact O-N 2.7Å; D250-T253 PolarHBondContact O-OG1 2.92Å
254S85.5Confident83.8Confident0 Ų054.6 Ų54.60%033%0.325CS..EExtended strand (participates in β ladder)trans-133.6125.1175.2-66.50000108.6Q229 V230 Q248 L256Q229-S254 WeakPolarHBondContact CA-O 3.4Å; V230-S254 PolarHBondContact N-O 2.82Å; V230-S254 PolarHBondContact O-N 2.97Å; Q248-S254 CarbonylContact O-C 3.6Å; Q248-S254 WeakPolarHBondContact O-CA 3.23Å; S254-L256 WeakPolarHBondContact O-CD1 3.45Å
255H90.2Very high83.9Confident69 Ų6955.7 Ų55.732%0.31934%0.337SS..EExtended strand (participates in β ladder)trans-92.1117.3171.7-172.4-100.7000108.7Q248Q248-H255 HydrophobicContact CB-CB 4.41Å; Q248-H255 PolarHBondContact N-O 3.42Å; Q248-H255 PolarHBondContact O-N 3.48Å
256L89.3Confident83.9Confident0 Ų054.7 Ų54.70%033%0.332CS..EExtended strand (participates in β ladder)trans-108132.3-179.8-69.275.6000108.7S227 V228 V230 L235 A238 I244 L247 S254 F258S227-L256 CarbonylContact C-O 3.52Å; S227-L256 WeakPolarHBondContact CA-O 3.3Å; S227-L256 VanDerWaalsContact CB-O 3.31Å; S227-L256 WeakPolarHBondContact CB-O 3.49Å; V228-L256 HydrophobicContact CG1-CB 4.12Å; V228-L256 PolarHBondContact N-O 2.59Å; V228-L256 PolarHBondContact O-N 3.45Å; V230-L256 HydrophobicContact CG2-CD1 3.44Å; V230-L256 VanDerWaalsContact CG2-CD1 3.44Å; L235-L256 HydrophobicContact CD1-CD1 4Å; L235-L256 HydrophobicContact CD1-CD2 3.99Å; L235-L256 HydrophobicContact CD1-CG 4.14Å; A238-L256 HydrophobicContact CB-CD2 3.65Å; I244-L256 HydrophobicContact CD1-CD2 3.67Å; I244-L256 HydrophobicContact CD1-CG 4.41Å; I244-L256 HydrophobicContact CG1-CD2 4.21Å; L247-L256 HydrophobicContact CD1-CD1 4.17Å; L247-L256 HydrophobicContact CD1-CG 4.1Å; S254-L256 WeakPolarHBondContact O-CD1 3.45Å; L256-F258 HydrophobicContact CB-CD1 4.36Å
257R90.3Very high84.1Confident36 Ų3654.8 Ų54.814%0.13633%0.327CS..EExtended strand (participates in β ladder)trans-110.1128.7163.2-171.1180-175.790.10.3108.1I225 F226 I245 S246 E275 R276 D281I225-R257 HydrophobicContact CG2-CG 4.06Å; F226-R257 CarbonylContact O-C 3.58Å; F226-R257 WeakPolarHBondContact O-CA 3.28Å; I245-R257 PolarHBondContact N-O 3.29Å; S246-R257 PolarHBondContact N-O 3.09Å; S246-R257 VanDerWaalsContact N-O 3.1Å; S246-R257 PolarHBondContact O-N 3.47Å; R257-E275 VanDerWaalsContact NH1-CB 3.31Å; R257-E275 VanDerWaalsContact NH1-CG 3.34Å; R257-E275 IonicContact NH1-OE1 3.79Å; R257-E275 IonicContact NH1-OE2 3.92Å; R257-E275 PolarHBondContact NH1-OE2 3.02Å; R257-R276 PolarHBondContact NH2-O 3.13Å; R257-D281 IonicContact CZ-OD1 3.35Å; R257-D281 IonicContact CZ-OD2 2.91Å; R257-D281 VanDerWaalsContact CZ-OD2 3.28Å; R257-D281 VanDerWaalsContact NE-CG 3.35Å; R257-D281 IonicContact NE-OD1 2.7Å; R257-D281 PolarHBondContact NE-OD1 3.24Å; R257-D281 IonicContact NE-OD2 3.92Å; R257-D281 PolarHBondContact NE-OD2 3.22Å; R257-D281 IonicContact NH2-OD2 3.13Å; R257-D281 PolarHBondContact NH2-OD2 3.37Å
258F88.7Confident84.2Confident0 Ų062 Ų620%035%0.351CS..EExtended strand (participates in β ladder)trans-149.2161.6-16963.8-86.4000112.8F226 V228 V242 Q243 I244 L256 I266 M267 V272F226-F258 HydrophobicContact CB-CD2 4.4Å; F226-F258 HydrophobicContact CB-CE1 3.96Å; F226-F258 HydrophobicContact CB-CE2 3.82Å; F226-F258 HydrophobicContact CB-CZ 3.57Å; F226-F258 PolarHBondContact N-O 3.17Å; F226-F258 WeakPolarHBondContact O-CD1 3.12Å; F226-F258 PolarHBondContact O-N 3.03Å; V228-F258 HydrophobicContact CB-CE1 4.11Å; V228-F258 HydrophobicContact CG1-CD1 4.29Å; V228-F258 HydrophobicContact CG1-CE1 3.61Å; V228-F258 HydrophobicContact CG1-CZ 4.46Å; V242-F258 HydrophobicContact CB-CB 4.17Å; V242-F258 HydrophobicContact CB-CD2 3.69Å; V242-F258 HydrophobicContact CB-CE2 4.42Å; V242-F258 HydrophobicContact CB-CG 4.16Å; V242-F258 HydrophobicContact CG1-CD2 3.67Å; V242-F258 HydrophobicContact CG1-CE2 3.94Å; V242-F258 HydrophobicContact CG2-CB 3.87Å; V242-F258 HydrophobicContact CG2-CD2 3.76Å; V242-F258 HydrophobicContact CG2-CE2 4.45Å; V242-F258 HydrophobicContact CG2-CG 3.81Å; Q243-F258 WeakPolarHBondContact O-CA 3.17Å; Q243-F258 WeakPolarHBondContact O-CB 3.32Å; I244-F258 HydrophobicContact CG1-CB 4.46Å; L256-F258 HydrophobicContact CB-CD1 4.36Å; F258-I266 HydrophobicContact CE2-CG2 4.16Å; F258-I266 HydrophobicContact CZ-CG2 4.35Å; F258-M267 HydrophobicContact CE2-SD 3.73Å; F258-M267 HydrophobicContact CZ-SD 4.26Å; F258-V272 HydrophobicContact CZ-CG1 4.19Å; F258-V272 HydrophobicContact CZ-CG2 4.5Å
259I88.1Confident84.2Confident12 Ų1258.3 Ų58.36%0.06233%0.333CS..EExtended strand (participates in β ladder)trans-82.4122.1173.2-58.9168.1000108.5I225 Q243 I245 N261 L284 Y285I225-I259 HydrophobicContact CD1-CG1 4.24Å; Q243-I259 HydrophobicContact CB-CD1 4.38Å; Q243-I259 HydrophobicContact CG-CD1 4.21Å; Q243-I259 PolarHBondContact O-N 3.49Å; I245-I259 HydrophobicContact CD1-CD1 4.48Å; I245-I259 HydrophobicContact CD1-CG1 3.69Å; I245-I259 HydrophobicContact CG1-CD1 4.45Å; I245-I259 HydrophobicContact CG1-CG1 4Å; I259-N261 PolarHBondContact O-N 3.48Å; I259-L284 HydrophobicContact CD1-CB 4.36Å; I259-Y285 HydrophobicContact CG2-CD2 3.7Å; I259-Y285 HydrophobicContact CG2-CE2 4.31Å
260G83.9Confident84.4Confident14 Ų1459 Ų5914%0.14435%0.347CS..  trans-65.2126.1-179.400000112K224 F226K224-G260 PolarHBondContact O-N 3.07Å; F226-G260 VanDerWaalsContact CD2-CA 3.48Å
261N81.3Confident84.8Confident75 Ų7557.9 Ų57.940%0.40134%0.34SS..  trans-113.8112.3167.8176.8-2.3000107.5I259 A263 A264 M267I259-N261 PolarHBondContact O-N 3.48Å; N261-A263 PolarHBondContact O-N 2.95Å; N261-A263 WeakPolarHBondContact OD1-CB 3.15Å; N261-A263 PolarHBondContact OD1-N 3.31Å; N261-A264 HydrophobicContact CB-CB 4.05Å; N261-A264 VanDerWaalsContact O-CB 3.31Å; N261-A264 WeakPolarHBondContact O-CB 3.35Å; N261-A264 PolarHBondContact O-N 3.23Å; N261-M267 WeakPolarHBondContact O-CG 3.19Å
262P78.6Confident85.3Confident121 Ų12157 Ų5779%0.78633%0.325SS*.THydrogen-bonded Turntrans-54-24.7-179.1-27.234.7000114.6
263A78.2Confident85.8Confident85 Ų8556.8 Ų56.870%0.70232%0.316SS*.THydrogen-bonded Turntrans-81.5-14.7177.500000114.1N261N261-A263 PolarHBondContact O-N 2.95Å; N261-A263 WeakPolarHBondContact OD1-CB 3.15Å; N261-A263 PolarHBondContact OD1-N 3.31Å
264A81.5Confident86.1Confident7 Ų760.7 Ų60.76%0.05833%0.331CS..  trans-75.9131.1-177.500000111Q241 V242 N261 I266 M267Q241-A264 HydrophobicContact CB-CB 4.09Å; V242-A264 HydrophobicContact CG1-CB 3.77Å; N261-A264 HydrophobicContact CB-CB 4.05Å; N261-A264 VanDerWaalsContact O-CB 3.31Å; N261-A264 WeakPolarHBondContact O-CB 3.35Å; N261-A264 PolarHBondContact O-N 3.23Å; A264-I266 HydrophobicContact CB-CG2 3.94Å; A264-I266 PolarHBondContact O-N 3Å; A264-M267 HydrophobicContact CB-CG 4.41Å; A264-M267 WeakPolarHBondContact O-CB 3.39Å; A264-M267 PolarHBondContact O-N 3.48Å
265S82.4Confident86.4Confident69 Ų6962.9 Ų62.948%0.48334%0.341SS..G310 helixtrans-64.6-25.9-179.353.10000112.6Q241 M267 R268Q241-S265 VanDerWaalsContact CD-OG 3.25Å; Q241-S265 PolarHBondContact NE2-OG 3.37Å; Q241-S265 PolarHBondContact OE1-OG 3.29Å; S265-M267 PolarHBondContact O-N 2.89Å; S265-R268 WeakPolarHBondContact O-CB 3.38Å; S265-R268 PolarHBondContact O-N 3.45Å
266I82.1Confident86.5Confident12 Ų1269.8 Ų69.86%0.06237%0.365CS..G310 helixtrans-57.6-28.7172.7-159.8170.4000113V228 A238 V242 F258 A264 R268 H269 V272V228-I266 HydrophobicContact CG1-CD1 3.97Å; V228-I266 HydrophobicContact CG1-CG1 4.38Å; A238-I266 HydrophobicContact CB-CD1 3.53Å; V242-I266 HydrophobicContact CB-CG2 4.5Å; V242-I266 HydrophobicContact CG1-CG2 3.42Å; V242-I266 VanDerWaalsContact CG1-CG2 3.42Å; V242-I266 HydrophobicContact CG2-CD1 4.37Å; V242-I266 HydrophobicContact CG2-CG2 4.27Å; F258-I266 HydrophobicContact CE2-CG2 4.16Å; F258-I266 HydrophobicContact CZ-CG2 4.35Å; A264-I266 HydrophobicContact CB-CG2 3.94Å; A264-I266 PolarHBondContact O-N 3Å; I266-R268 PolarHBondContact O-N 3.37Å; I266-R268 VanDerWaalsContact O-N 3.13Å; I266-H269 WeakPolarHBondContact O-CB 3.25Å; I266-H269 PolarHBondContact O-N 2.92Å; I266-V272 WeakPolarHBondContact O-CG2 3.22Å
267M85.5Confident86.6Confident49 Ų4970.6 Ų70.624%0.24137%0.37CS..G310 helixtrans-64.3-17.4176-68.9-59.5-60.800113.1F226 F258 N261 A264 S265F226-M267 HydrophobicContact CD1-CE 3.93Å; F226-M267 HydrophobicContact CD2-CE 3.84Å; F226-M267 HydrophobicContact CD2-SD 4.1Å; F226-M267 HydrophobicContact CE1-CE 3.74Å; F226-M267 HydrophobicContact CE2-CE 3.65Å; F226-M267 HydrophobicContact CE2-SD 4.38Å; F226-M267 HydrophobicContact CG-CE 3.99Å; F226-M267 HydrophobicContact CG-SD 4.29Å; F226-M267 HydrophobicContact CZ-CE 3.6Å; F258-M267 HydrophobicContact CE2-SD 3.73Å; F258-M267 HydrophobicContact CZ-SD 4.26Å; N261-M267 WeakPolarHBondContact O-CG 3.19Å; A264-M267 HydrophobicContact CB-CG 4.41Å; A264-M267 WeakPolarHBondContact O-CB 3.39Å; A264-M267 PolarHBondContact O-N 3.48Å; S265-M267 PolarHBondContact O-N 2.89Å
268R85.5Confident86.6Confident212 Ų21271.4 Ų71.480%0.838%0.379SS*.G310 helixtrans-920.2175.8-55.6-180-171.2164.32.4112.6S265 I266S265-R268 WeakPolarHBondContact O-CB 3.38Å; S265-R268 PolarHBondContact O-N 3.45Å; I266-R268 PolarHBondContact O-N 3.37Å; I266-R268 VanDerWaalsContact O-N 3.13Å
269H84.7Confident86.7Confident49 Ų4971.4 Ų71.423%0.22738%0.379CS..  trans-69.2132.5179.5-173.6-84.1000109.8V228 I266 L271 V272V228-H269 WeakPolarHBondContact CG2-ND1 3.1Å; I266-H269 WeakPolarHBondContact O-CB 3.25Å; I266-H269 PolarHBondContact O-N 2.92Å; H269-L271 PolarHBondContact ND1-N 3.31Å; H269-L271 PolarHBondContact O-N 3.49Å; H269-L271 VanDerWaalsContact O-N 3.13Å; H269-V272 HydrophobicContact CB-CG2 3.71Å; H269-V272 WeakPolarHBondContact O-CB 3.37Å; H269-V272 VanDerWaalsContact O-CG2 3.3Å; H269-V272 WeakPolarHBondContact O-CG2 3.42Å; H269-V272 PolarHBondContact O-N 3.5Å; H269-V272 VanDerWaalsContact O-N 3.07Å
270P85.9Confident86.6Confident121 Ų12176 Ų7679%0.78640%0.4SS*.THydrogen-bonded Turntrans-66.2-19.9-170.524.1-34.3000114.4
271L89.5Confident86.9Confident103 Ų10375.5 Ų75.554%0.53939%0.394SS..THydrogen-bonded Turntrans-95.610.3177.6-54.7-179.6000113.7V228 H269V228-L271 HydrophobicContact CG2-CB 4.31Å; H269-L271 PolarHBondContact ND1-N 3.31Å; H269-L271 PolarHBondContact O-N 3.49Å; H269-L271 VanDerWaalsContact O-N 3.13Å
272V90.9Very high87.4Confident31 Ų3172 Ų7219%0.18838%0.375CS..  trans-73.9127.9174.4177.30000109F226 S227 V228 F258 I266 H269F226-V272 HydrophobicContact CB-CG1 3.91Å; F226-V272 HydrophobicContact CD1-CG1 3.85Å; F226-V272 HydrophobicContact CG-CG1 4.18Å; S227-V272 WeakPolarHBondContact O-CA 3.11Å; V228-V272 HydrophobicContact CB-CG2 4.06Å; V228-V272 HydrophobicContact CG2-CG2 4Å; F258-V272 HydrophobicContact CZ-CG1 4.19Å; F258-V272 HydrophobicContact CZ-CG2 4.5Å; I266-V272 WeakPolarHBondContact O-CG2 3.22Å; H269-V272 HydrophobicContact CB-CG2 3.71Å; H269-V272 WeakPolarHBondContact O-CB 3.37Å; H269-V272 VanDerWaalsContact O-CG2 3.3Å; H269-V272 WeakPolarHBondContact O-CG2 3.42Å; H269-V272 PolarHBondContact O-N 3.5Å; H269-V272 VanDerWaalsContact O-N 3.07Å
273I93Very high87.9Confident92 Ų9267 Ų6747%0.47234%0.341SS..EExtended strand (participates in β ladder)trans-119.8142.717461175.7000110F226 S227F226-I273 CarbonylContact C-O 3.29Å; F226-I273 WeakPolarHBondContact CA-O 3.47Å; S227-I273 PolarHBondContact N-O 3.35Å; S227-I273 PolarHBondContact O-N 2.75Å; S227-I273 WeakPolarHBondContact OG-CD1 3.25Å; S227-I273 WeakPolarHBondContact OG-CG1 3.29Å
274E93.2Very high88.3Confident117 Ų11764.9 Ų64.955%0.54732%0.318SS..EExtended strand (participates in β ladder)trans-72.6135.1168.6-175.1-178.5156.500109.1G223 F226G223-E274 WeakPolarHBondContact CA-OE1 3.26Å; G223-E274 PolarHBondContact N-OE1 3.41Å; G223-E274 VanDerWaalsContact N-OE1 3.16Å; F226-E274 HydrophobicContact CD1-CB 4.16Å; F226-E274 HydrophobicContact CE1-CB 3.96Å; F226-E274 HydrophobicContact CE1-CG 4.21Å
275E91.9Very high88.7Confident46 Ų4666 Ų6622%0.21532%0.321CS..  trans-112.6143.6-176.6-75.2-76.8-179.400110.6I225 S227 R257I225-E275 HydrophobicContact CB-CB 4.46Å; I225-E275 HydrophobicContact CG2-CB 4.08Å; I225-E275 PolarHBondContact O-N 2.97Å; S227-E275 WeakPolarHBondContact CB-OE1 3.45Å; S227-E275 WeakPolarHBondContact OG-CG 3.22Å; S227-E275 PolarHBondContact OG-OE1 2.94Å; R257-E275 VanDerWaalsContact NH1-CB 3.31Å; R257-E275 VanDerWaalsContact NH1-CG 3.34Å; R257-E275 IonicContact NH1-OE1 3.79Å; R257-E275 IonicContact NH1-OE2 3.92Å; R257-E275 PolarHBondContact NH1-OE2 3.02Å
276R92.6Very high89Confident215 Ų21563.7 Ų63.781%0.81130%0.302SS*.PPolyproline II helixtrans-66.7124.5170.3-175.7179.6179179.30.4108.8R257R257-R276 PolarHBondContact NH2-O 3.13Å
277P91.7Very high89.1Confident16 Ų1664.3 Ų64.310%0.10431%0.306CS..PPolyproline II helixtrans-65.7139.4-178.926.1-33.8000111.4L218 A221 I225 D281L218-P277 HydrophobicContact CD2-CB 4.43Å; L218-P277 WeakPolarHBondContact O-CG 3.4Å; A221-P277 HydrophobicContact CB-CB 3.79Å; A221-P277 HydrophobicContact CB-CG 4.18Å; I225-P277 HydrophobicContact CG1-CB 3.96Å; P277-D281 HydrophobicContact CB-CB 4.4Å
278T90.3Very high88.8Confident54 Ų5463.1 Ų63.133%0.33130%0.302SS..PPolyproline II helixtrans-88.9169.3161.963.80000109.7L218 E280 D281 A282L218-T278 VanDerWaalsContact CD2-C 3.42Å; L218-T278 WeakPolarHBondContact CD2-O 3.07Å; T278-E280 PolarHBondContact O-N 2.95Å; T278-D281 WeakPolarHBondContact CB-OD2 3.02Å; T278-D281 PolarHBondContact N-OD2 3.33Å; T278-D281 PolarHBondContact O-N 2.66Å; T278-D281 PolarHBondContact OG1-N 2.88Å; T278-D281 PolarHBondContact OG1-OD2 3.07Å; T278-A282 PolarHBondContact O-N 3.18Å
279L89.2Confident88.3Confident0 Ų058.7 Ų58.70%029%0.292CS..Hα-helixtrans-61.7-34.9176-174.458.1000112.7A190 I193 E194 I214 L217 A282 Y283A190-L279 HydrophobicContact CB-CB 4.23Å; A190-L279 HydrophobicContact CB-CD2 4.25Å; A190-L279 HydrophobicContact CB-CG 3.96Å; A190-L279 WeakPolarHBondContact O-CD2 3.3Å; I193-L279 HydrophobicContact CD1-CD2 3.74Å; I193-L279 HydrophobicContact CG1-CD2 3.58Å; E194-L279 HydrophobicContact CB-CB 4.15Å; E194-L279 HydrophobicContact CB-CD2 3.81Å; E194-L279 HydrophobicContact CG-CB 3.94Å; E194-L279 HydrophobicContact CG-CD2 4.36Å; E194-L279 PolarHBondContact OE1-N 3.24Å; I214-L279 HydrophobicContact CD1-CD2 3.96Å; I214-L279 HydrophobicContact CG1-CD1 4.46Å; I214-L279 HydrophobicContact CG2-CD1 4.12Å; L217-L279 HydrophobicContact CD2-CD1 3.51Å; L217-L279 HydrophobicContact CG-CD1 4.29Å; L279-A282 PolarHBondContact O-N 3.22Å; L279-Y283 WeakPolarHBondContact O-CB 3.42Å; L279-Y283 PolarHBondContact O-N 3.04Å
280E87.5Confident87.3Confident109 Ų10960.9 Ų60.951%0.50930%0.301SS..Hα-helixtrans-65.2-43.9175.6-172.7170.7-174.400111.5A190 T278 A282 Y283 L284A190-E280 HydrophobicContact CB-CB 4Å; T278-E280 PolarHBondContact O-N 2.95Å; E280-A282 VanDerWaalsContact C-N 3.33Å; E280-A282 PolarHBondContact O-N 3.39Å; E280-Y283 PolarHBondContact O-N 3.48Å; E280-L284 HydrophobicContact CG-CD1 4.22Å; E280-L284 WeakPolarHBondContact O-CB 3.49Å; E280-L284 WeakPolarHBondContact O-CG 3.41Å; E280-L284 PolarHBondContact O-N 3.34Å
281D90.3Very high85.4Confident3 Ų357.8 Ų57.82%0.01629%0.291CS..Hα-helixtrans-60.5-45.3176.6-57.2-51.9000111.1I225 I245 R257 P277 T278 L284 Y285I225-D281 HydrophobicContact CD1-CB 3.81Å; I225-D281 HydrophobicContact CG1-CB 3.82Å; I225-D281 HydrophobicContact CG2-CB 4.25Å; I245-D281 HydrophobicContact CD1-CB 4.06Å; I245-D281 WeakPolarHBondContact CD1-OD1 3.48Å; I245-D281 WeakPolarHBondContact CG2-OD1 3.5Å; R257-D281 IonicContact CZ-OD1 3.35Å; R257-D281 IonicContact CZ-OD2 2.91Å; R257-D281 VanDerWaalsContact CZ-OD2 3.28Å; R257-D281 VanDerWaalsContact NE-CG 3.35Å; R257-D281 IonicContact NE-OD1 2.7Å; R257-D281 PolarHBondContact NE-OD1 3.24Å; R257-D281 IonicContact NE-OD2 3.92Å; R257-D281 PolarHBondContact NE-OD2 3.22Å; R257-D281 IonicContact NH2-OD2 3.13Å; R257-D281 PolarHBondContact NH2-OD2 3.37Å; P277-D281 HydrophobicContact CB-CB 4.4Å; T278-D281 WeakPolarHBondContact CB-OD2 3.02Å; T278-D281 PolarHBondContact N-OD2 3.33Å; T278-D281 PolarHBondContact O-N 2.66Å; T278-D281 PolarHBondContact OG1-N 2.88Å; T278-D281 PolarHBondContact OG1-OD2 3.07Å; D281-L284 PolarHBondContact O-N 2.89Å; D281-Y285 VanDerWaalsContact O-CB 3.32Å; D281-Y285 WeakPolarHBondContact O-CB 3.36Å; D281-Y285 PolarHBondContact O-N 3.25Å
282A91Very high82.8Confident0 Ų058 Ų580%030%0.301CS..Hα-helixtrans-67-39-178.800000112.4L217 L218 A221 T278 L279 E280 Y285 L286L217-A282 HydrophobicContact CD1-CB 4.31Å; L217-A282 HydrophobicContact CG-CB 3.87Å; L218-A282 HydrophobicContact CD2-CB 4.19Å; A221-A282 HydrophobicContact CB-CB 3.6Å; T278-A282 PolarHBondContact O-N 3.18Å; L279-A282 PolarHBondContact O-N 3.22Å; E280-A282 VanDerWaalsContact C-N 3.33Å; E280-A282 PolarHBondContact O-N 3.39Å; A282-Y285 PolarHBondContact O-N 2.88Å; A282-L286 WeakPolarHBondContact O-CB 3.25Å; A282-L286 PolarHBondContact O-N 3.46Å
283Y89.7Confident80Confident17 Ų1760.3 Ų60.37%0.06731%0.313CS..Hα-helixtrans-60.9-48.5172.1173-127.5000111.7L33 R35 I202 L279 E280 Y285 L286 L287L33-Y283 HydrophobicContact CD1-CD2 4.38Å; L33-Y283 HydrophobicContact CD1-CG 4.34Å; R35-Y283 WeakPolarHBondContact CG-OH 3.36Å; R35-Y283 PolarHBondContact N-OH 2.99Å; I202-Y283 HydrophobicContact CD1-CD2 3.86Å; I202-Y283 HydrophobicContact CG1-CD2 4.18Å; I202-Y283 HydrophobicContact CG2-CD2 3.96Å; I202-Y283 HydrophobicContact CG2-CE2 3.59Å; L279-Y283 WeakPolarHBondContact O-CB 3.42Å; L279-Y283 PolarHBondContact O-N 3.04Å; E280-Y283 PolarHBondContact O-N 3.48Å; Y283-Y285 PolarHBondContact O-N 3.49Å; Y283-L286 PolarHBondContact O-N 3.17Å; Y283-L287 HydrophobicContact CD1-CD1 4.46Å; Y283-L287 HydrophobicContact CD2-CD1 4.31Å; Y283-L287 HydrophobicContact CD2-CG 4.22Å; Y283-L287 HydrophobicContact CE1-CD1 3.9Å; Y283-L287 HydrophobicContact CE2-CD1 3.7Å; Y283-L287 HydrophobicContact CE2-CD2 4.13Å; Y283-L287 HydrophobicContact CE2-CG 3.81Å; Y283-L287 VanDerWaalsContact CZ-CD1 3.48Å; Y283-L287 WeakPolarHBondContact O-CG 3.37Å; Y283-L287 PolarHBondContact O-N 3.36Å
284L86.6Confident77.3Confident41 Ų4161.2 Ų61.222%0.21531%0.313CS..Hα-helixtrans-65.7-37.2178.5-70.8175.2000112.5I245 I259 E280 D281 L287 S288I245-L284 HydrophobicContact CB-CD1 4.22Å; I245-L284 HydrophobicContact CG1-CD1 4.01Å; I245-L284 HydrophobicContact CG2-CD1 3.65Å; I259-L284 HydrophobicContact CD1-CB 4.36Å; E280-L284 HydrophobicContact CG-CD1 4.22Å; E280-L284 WeakPolarHBondContact O-CB 3.49Å; E280-L284 WeakPolarHBondContact O-CG 3.41Å; E280-L284 PolarHBondContact O-N 3.34Å; D281-L284 PolarHBondContact O-N 2.89Å; L284-L287 PolarHBondContact O-N 3.1Å; L284-S288 WeakPolarHBondContact O-CB 3.49Å; L284-S288 PolarHBondContact O-N 3.48Å
285Y89.2Confident74.4Confident31 Ų3157.5 Ų57.512%0.12230%0.297CS..Hα-helixtrans-62.8-45.2173.4173.4-111.3000112N220 A221 K224 I259 D281 A282 Y283 L287 S288 M289N220-Y285 WeakPolarHBondContact O-CE1 3.25Å; A221-Y285 HydrophobicContact CB-CD1 4.14Å; K224-Y285 HydrophobicContact CB-CD2 4.03Å; K224-Y285 HydrophobicContact CB-CE2 3.9Å; K224-Y285 HydrophobicContact CB-CG 4.43Å; K224-Y285 HydrophobicContact CD-CE2 4.18Å; K224-Y285 HydrophobicContact CG-CD2 4.37Å; K224-Y285 HydrophobicContact CG-CE1 4.06Å; K224-Y285 HydrophobicContact CG-CE2 3.81Å; I259-Y285 HydrophobicContact CG2-CD2 3.7Å; I259-Y285 HydrophobicContact CG2-CE2 4.31Å; D281-Y285 VanDerWaalsContact O-CB 3.32Å; D281-Y285 WeakPolarHBondContact O-CB 3.36Å; D281-Y285 PolarHBondContact O-N 3.25Å; A282-Y285 PolarHBondContact O-N 2.88Å; Y283-Y285 PolarHBondContact O-N 3.49Å; Y285-L287 VanDerWaalsContact C-N 3.3Å; Y285-L287 PolarHBondContact O-N 3.24Å; Y285-S288 PolarHBondContact O-N 3.38Å; Y285-S288 PolarHBondContact O-OG 3.31Å; Y285-M289 HydrophobicContact CD1-CG 4.41Å; Y285-M289 HydrophobicContact CD2-CG 4.03Å; Y285-M289 HydrophobicContact CE1-CG 3.92Å; Y285-M289 HydrophobicContact CE2-CG 3.48Å; Y285-M289 VanDerWaalsContact CE2-CG 3.48Å; Y285-M289 HydrophobicContact CE2-SD 3.84Å; Y285-M289 HydrophobicContact CG-CG 4.47Å; Y285-M289 VanDerWaalsContact CZ-CG 3.41Å; Y285-M289 WeakPolarHBondContact O-CB 3.49Å; Y285-M289 VanDerWaalsContact O-CG 3.31Å; Y285-M289 WeakPolarHBondContact O-CG 3.48Å; Y285-M289 PolarHBondContact O-N 2.92Å; Y285-M289 PolarHBondContact OH-SD 3.11Å; Y285-M289 VanDerWaalsContact OH-SD 3.36Å
286L88.4Confident71.5Confident19 Ų1958.3 Ų58.310%0.09931%0.307CS..Hα-helixtrans-62.3-42.3176.4-172.974.3000111.1I202 I209 F210 L217 A282 Y283 K290I202-L286 HydrophobicContact CB-CD2 4.26Å; I202-L286 HydrophobicContact CD1-CD2 3.41Å; I202-L286 VanDerWaalsContact CD1-CD2 3.41Å; I202-L286 HydrophobicContact CG1-CD2 4.4Å; I202-L286 HydrophobicContact CG2-CD2 4.41Å; I209-L286 HydrophobicContact CD1-CD2 3.71Å; I209-L286 HydrophobicContact CD1-CG 4.09Å; I209-L286 HydrophobicContact CG1-CD2 3.89Å; F210-L286 HydrophobicContact CB-CD2 3.46Å; F210-L286 VanDerWaalsContact CB-CD2 3.46Å; F210-L286 HydrophobicContact CG-CD2 4.23Å; L217-L286 HydrophobicContact CD1-CD2 4.48Å; A282-L286 WeakPolarHBondContact O-CB 3.25Å; A282-L286 PolarHBondContact O-N 3.46Å; Y283-L286 PolarHBondContact O-N 3.17Å; L286-K290 HydrophobicContact CD1-CD 4.41Å; L286-K290 WeakPolarHBondContact O-CB 3.33Å; L286-K290 PolarHBondContact O-N 2.88Å; L286-K290 VanDerWaalsContact O-N 3.15Å
287L83.8Confident69Low26 Ų2649.8 Ų49.814%0.13628%0.278CS..Hα-helixtrans-62.9-40.1174-71.7-177.3000111.8R35 E204 I209 Y283 L284 Y285 K290 G291R35-L287 HydrophobicContact CG-CD1 4.35Å; E204-L287 HydrophobicContact CG-CD2 4.17Å; I209-L287 HydrophobicContact CD1-CD2 4.03Å; Y283-L287 HydrophobicContact CD1-CD1 4.46Å; Y283-L287 HydrophobicContact CD2-CD1 4.31Å; Y283-L287 HydrophobicContact CD2-CG 4.22Å; Y283-L287 HydrophobicContact CE1-CD1 3.9Å; Y283-L287 HydrophobicContact CE2-CD1 3.7Å; Y283-L287 HydrophobicContact CE2-CD2 4.13Å; Y283-L287 HydrophobicContact CE2-CG 3.81Å; Y283-L287 VanDerWaalsContact CZ-CD1 3.48Å; Y283-L287 WeakPolarHBondContact O-CG 3.37Å; Y283-L287 PolarHBondContact O-N 3.36Å; L284-L287 PolarHBondContact O-N 3.1Å; Y285-L287 VanDerWaalsContact C-N 3.3Å; Y285-L287 PolarHBondContact O-N 3.24Å; L287-K290 CarbonylContact O-C 3.54Å; L287-K290 PolarHBondContact O-N 2.92Å; L287-G291 WeakPolarHBondContact O-CA 3.38Å; L287-G291 PolarHBondContact O-N 3.44Å
288S80.1Confident66.8Low24 Ų2457.3 Ų57.317%0.16831%0.309CS..Hα-helixtrans-67.7-42.4179.4730000112.1L284 Y285 K290 G291L284-S288 WeakPolarHBondContact O-CB 3.49Å; L284-S288 PolarHBondContact O-N 3.48Å; Y285-S288 PolarHBondContact O-N 3.38Å; Y285-S288 PolarHBondContact O-OG 3.31Å; S288-K290 PolarHBondContact O-N 2.89Å; S288-G291 PolarHBondContact O-N 2.82Å
289M75.2Confident65.1Low118 Ų11859.7 Ų59.758%0.58132%0.316SS*.Hα-helixtrans-60-32175.8-76.2-72-71.800112Y285Y285-M289 HydrophobicContact CD1-CG 4.41Å; Y285-M289 HydrophobicContact CD2-CG 4.03Å; Y285-M289 HydrophobicContact CE1-CG 3.92Å; Y285-M289 HydrophobicContact CE2-CG 3.48Å; Y285-M289 VanDerWaalsContact CE2-CG 3.48Å; Y285-M289 HydrophobicContact CE2-SD 3.84Å; Y285-M289 HydrophobicContact CG-CG 4.47Å; Y285-M289 VanDerWaalsContact CZ-CG 3.41Å; Y285-M289 WeakPolarHBondContact O-CB 3.49Å; Y285-M289 VanDerWaalsContact O-CG 3.31Å; Y285-M289 WeakPolarHBondContact O-CG 3.48Å; Y285-M289 PolarHBondContact O-N 2.92Å; Y285-M289 PolarHBondContact OH-SD 3.11Å; Y285-M289 VanDerWaalsContact OH-SD 3.36Å
290K63.6Low63.7Low95 Ų9560.1 Ų60.141%0.41332%0.319SS..THydrogen-bonded Turntrans-108.88.6-176.7-63.8-171.4173.1-171.30113.7I209 L286 L287 S288 F294I209-K290 HydrophobicContact CB-CD 3.91Å; I209-K290 HydrophobicContact CD1-CD 4.3Å; I209-K290 HydrophobicContact CG2-CD 4.26Å; I209-K290 PolarHBondContact O-NZ 2.84Å; L286-K290 HydrophobicContact CD1-CD 4.41Å; L286-K290 WeakPolarHBondContact O-CB 3.33Å; L286-K290 PolarHBondContact O-N 2.88Å; L286-K290 VanDerWaalsContact O-N 3.15Å; L287-K290 CarbonylContact O-C 3.54Å; L287-K290 PolarHBondContact O-N 2.92Å; S288-K290 PolarHBondContact O-N 2.89Å; K290-F294 WeakPolarHBondContact O-CB 3.46Å
291G44.9Very low62.5Low57 Ų5759.8 Ų59.859%0.58832%0.317SS*.SBendtrans-13010.5-156.500000119L287 S288L287-G291 WeakPolarHBondContact O-CA 3.38Å; L287-G291 PolarHBondContact O-N 3.44Å; S288-G291 PolarHBondContact O-N 2.82Å
292S36Very low61.7Low106 Ų10664.5 Ų64.574%0.74135%0.348SS*.SBendtrans-100-14.9170.7-42.70000114.2
293D33Very low60.6Low81 Ų8168 Ų6843%0.43339%0.385SS..SBendtrans-171.547-176.7-97.6-30.9000111.3R452D293-R452 IonicContact OD1-NE 3.47Å; D293-R452 IonicContact OD1-NH2 2.95Å; D293-R452 IonicContact OD2-CZ 3.64Å; D293-R452 IonicContact OD2-NE 2.61Å; D293-R452 IonicContact OD2-NH2 2.89Å; D293-R452 PolarHBondContact OD2-NH2 3.07Å
294F34.7Very low59.4Low111 Ų11171.9 Ų71.949%0.48740%0.402SS..  trans-132.392177.6-89-94.8000113.9K290 L297K290-F294 WeakPolarHBondContact O-CB 3.46Å; F294-L297 WeakPolarHBondContact CE1-O 3.44Å
295I32.2Very low58Low38 Ų3876.6 Ų76.620%0.19543%0.427CS..SBend-45.4127.1113.6-55.8149000105.3L297 T447 D451I295-L297 HydrophobicContact CB-CB 4.42Å; I295-L297 HydrophobicContact CB-CD1 3.91Å; I295-L297 HydrophobicContact CB-CG 4.02Å; I295-L297 HydrophobicContact CD1-CD1 3.77Å; I295-L297 HydrophobicContact CG1-CD1 4.49Å; I295-L297 HydrophobicContact CG2-CB 4.28Å; I295-L297 HydrophobicContact CG2-CD1 3.85Å; I295-L297 HydrophobicContact CG2-CG 3.57Å; I295-L297 PolarHBondContact O-N 3.08Å; I295-T447 HydrophobicContact CD1-CG2 3.27Å; I295-T447 HydrophobicContact CG1-CG2 4.39Å; I295-D451 HydrophobicContact CD1-CB 4Å; I295-D451 VanDerWaalsContact CD1-CG 3.41Å; I295-D451 WeakPolarHBondContact CD1-OD2 3.41Å; I295-D451 WeakPolarHBondContact CG1-OD2 3.31Å
296S30.6Very low56.7Low63 Ų6381.6 Ų81.644%0.44146%0.456SS..SBendtrans-6268166.46.80000110.4R207R207-S296 WeakPolarHBondContact CD-OG 3.31Å; R207-S296 PolarHBondContact NH1-O 3.1Å; R207-S296 PolarHBondContact NH1-OG 3.33Å
297L40.2Very low55.4Low36 Ų3682.6 Ų82.619%0.18846%0.459CS..  trans-93.389.1163.9-89.2169000101.6F294 I295 H299 F444 T447F294-L297 WeakPolarHBondContact CE1-O 3.44Å; I295-L297 HydrophobicContact CB-CB 4.42Å; I295-L297 HydrophobicContact CB-CD1 3.91Å; I295-L297 HydrophobicContact CB-CG 4.02Å; I295-L297 HydrophobicContact CD1-CD1 3.77Å; I295-L297 HydrophobicContact CG1-CD1 4.49Å; I295-L297 HydrophobicContact CG2-CB 4.28Å; I295-L297 HydrophobicContact CG2-CD1 3.85Å; I295-L297 HydrophobicContact CG2-CG 3.57Å; I295-L297 PolarHBondContact O-N 3.08Å; L297-H299 PolarHBondContact O-N 2.84Å; L297-F444 HydrophobicContact CB-CD2 3.48Å; L297-F444 VanDerWaalsContact CB-CD2 3.48Å; L297-F444 HydrophobicContact CB-CE2 3.57Å; L297-F444 HydrophobicContact CD1-CD2 4.2Å; L297-F444 HydrophobicContact CD2-CB 4.2Å; L297-F444 HydrophobicContact CD2-CD2 3.94Å; L297-F444 HydrophobicContact CD2-CG 4.48Å; L297-F444 HydrophobicContact CG-CD2 4.05Å; L297-F444 VanDerWaalsContact O-CE2 3.3Å; L297-F444 WeakPolarHBondContact O-CE2 3.4Å; L297-T447 HydrophobicContact CD1-CG2 3.97Å
298K45.5Very low54.2Low175 Ų17582.7 Ų82.776%0.76147%0.466SS*.PPolyproline II helixtrans-53.1128.3157.7-86.9175.8170.5170.20105.1P300K298-P300 WeakPolarHBondContact O-CD 3.27Å
299H55.2Low53.5Low104 Ų10485.6 Ų85.648%0.48148%0.479SS..PPolyproline II helixtrans-53.5121.4166-171.6-68.7000105.5L297 E301 F444L297-H299 PolarHBondContact O-N 2.84Å; H299-E301 PolarHBondContact O-N 2.91Å; H299-E301 VanDerWaalsContact O-N 3.16Å; H299-F444 HydrophobicContact CB-CE2 4.11Å; H299-F444 HydrophobicContact CB-CZ 4.1Å; H299-F444 AromaticContact CD2-CE1 3.69Å; H299-F444 AromaticContact CD2-CZ 3.91Å
300P59.5Low52.9Low9 Ų980.6 Ų80.66%0.05846%0.457CS..PPolyproline II helixtrans-57.4127.9178.820.9-28.9000107.4K298 Y307 Y437 A440 A441K298-P300 WeakPolarHBondContact O-CD 3.27Å; P300-Y307 HydrophobicContact CB-CD1 3.67Å; P300-Y307 HydrophobicContact CB-CE1 3.71Å; P300-Y437 HydrophobicContact CB-CD2 4.02Å; P300-Y437 HydrophobicContact CB-CE2 4.16Å; P300-Y437 HydrophobicContact CG-CE2 4.49Å; P300-Y437 WeakPolarHBondContact O-CE2 3.22Å; P300-A440 HydrophobicContact CB-CB 3.96Å; P300-A440 HydrophobicContact CG-CB 4.1Å; P300-A441 HydrophobicContact CG-CB 3.91Å
301E64.1Low53.2Low102 Ų10283.8 Ų83.848%0.47747%0.467SS..PPolyproline II helixtrans-95.2135.1175.8-75.7170.8-15100108.2H299 G303 K304 Y307H299-E301 PolarHBondContact O-N 2.91Å; H299-E301 VanDerWaalsContact O-N 3.16Å; E301-G303 PolarHBondContact O-N 2.88Å; E301-K304 HydrophobicContact CB-CD 4.39Å; E301-K304 HydrophobicContact CB-CG 4.31Å; E301-K304 VanDerWaalsContact CD-NZ 3.35Å; E301-K304 PolarHBondContact O-N 2.91Å; E301-K304 IonicContact OE1-NZ 3.06Å; E301-K304 PolarHBondContact OE1-NZ 2.81Å; E301-K304 WeakPolarHBondContact OE2-CE 3.3Å; E301-K304 IonicContact OE2-NZ 2.74Å; E301-K304 PolarHBondContact OE2-NZ 3.44Å; E301-Y307 VanDerWaalsContact O-CE1 3.28Å; E301-Y307 WeakPolarHBondContact O-CE1 3.5Å; E301-Y307 PolarHBondContact O-OH 2.9Å
302P72.6Confident54.6Low101 Ų10181.4 Ų81.466%0.65644%0.441SS*.THydrogen-bonded Turntrans-56.2133.1173.9-19.429.2000110.9Y437P302-Y437 HydrophobicContact CB-CE2 4.34Å; P302-Y437 HydrophobicContact CG-CE2 3.82Å
303G67Low56.6Low75 Ų7582.5 Ų82.577%0.77344%0.444SS*.THydrogen-bonded Turntrans89817500000116.3E301 Y307E301-G303 PolarHBondContact O-N 2.88Å; G303-Y307 PolarHBondContact N-OH 2.94Å
304K65.1Low59Low97 Ų9782.6 Ų82.642%0.42244%0.444SS..  trans-90146.8165.9-65.8-158.2175.8159.20110.3E301 Y307E301-K304 HydrophobicContact CB-CD 4.39Å; E301-K304 HydrophobicContact CB-CG 4.31Å; E301-K304 VanDerWaalsContact CD-NZ 3.35Å; E301-K304 PolarHBondContact O-N 2.91Å; E301-K304 IonicContact OE1-NZ 3.06Å; E301-K304 PolarHBondContact OE1-NZ 2.81Å; E301-K304 WeakPolarHBondContact OE2-CE 3.3Å; E301-K304 IonicContact OE2-NZ 2.74Å; E301-K304 PolarHBondContact OE2-NZ 3.44Å; K304-Y307 HydrophobicContact CB-CE1 4.35Å; K304-Y307 PolarHBondContact N-OH 3.05Å; K304-Y307 WeakPolarHBondContact O-CE2 3.46Å; K304-Y307 PolarHBondContact O-OH 3.34Å; K304-Y307 VanDerWaalsContact O-OH 3.13Å
305N56.5Low61.5Low141 Ų14183.1 Ų83.175%0.75445%0.446SS*.SBendtrans-93.6-7.4-178.8-64.3-15000113.2
306D62.7Low64.1Low135 Ų13585.6 Ų85.672%0.72246%0.456SS*.  trans-114.189.3-177.7-178.316.3000110.4G308D306-G308 PolarHBondContact OD1-N 3.34Å
307Y61.4Low66.7Low41 Ų4183.1 Ų83.116%0.16144%0.44CS..  trans-101.312174.5-65.5-58.8000112.5P300 E301 G303 K304 L435 Y437 A440P300-Y307 HydrophobicContact CB-CD1 3.67Å; P300-Y307 HydrophobicContact CB-CE1 3.71Å; E301-Y307 VanDerWaalsContact O-CE1 3.28Å; E301-Y307 WeakPolarHBondContact O-CE1 3.5Å; E301-Y307 PolarHBondContact O-OH 2.9Å; G303-Y307 PolarHBondContact N-OH 2.94Å; K304-Y307 HydrophobicContact CB-CE1 4.35Å; K304-Y307 PolarHBondContact N-OH 3.05Å; K304-Y307 WeakPolarHBondContact O-CE2 3.46Å; K304-Y307 PolarHBondContact O-OH 3.34Å; K304-Y307 VanDerWaalsContact O-OH 3.13Å; Y307-L435 WeakPolarHBondContact CB-O 3.18Å; Y307-L435 WeakPolarHBondContact CD2-O 3.27Å; Y307-L435 WeakPolarHBondContact O-CD1 3.27Å; Y307-Y437 AromaticContact CE1-CD2 3.88Å; Y307-Y437 HydrophobicContact CE1-CD2 3.88Å; Y307-Y437 AromaticContact CZ-CD2 3.83Å; Y307-A440 HydrophobicContact CD1-CB 4.15Å; Y307-A440 HydrophobicContact CG-CB 4.16Å
308G59Low68.9Low28 Ų2881.7 Ų81.729%0.28943%0.433SS..  trans76.8-174.7-171.800000113.7D306 L435D306-G308 PolarHBondContact OD1-N 3.34Å; G308-L435 PolarHBondContact O-N 2.86Å
309I64.3Low71Confident84 Ų8474 Ų7443%0.43140%0.399SS..EExtended strand (participates in β ladder)trans-116.6126.2-167.2-48.2175.8000109.7F388 K432 R433I309-F388 HydrophobicContact CD1-CD2 4.22Å; I309-F388 HydrophobicContact CD1-CE2 4.16Å; I309-K432 HydrophobicContact CB-CD 4.35Å; I309-K432 HydrophobicContact CG2-CB 3.37Å; I309-K432 HydrophobicContact CG2-CD 3.5Å; I309-K432 HydrophobicContact CG2-CG 3.64Å; I309-R433 CarbonylContact C-O 3.56Å; I309-R433 WeakPolarHBondContact CA-O 3.48Å; I309-R433 WeakPolarHBondContact CG2-O 3.32Å
310G62.7Low72.6Confident13 Ų1370.2 Ų70.213%0.13438%0.382CS..EExtended strand (participates in β ladder)trans-105.5167.1174.800000111.7K432 R433G310-K432 CarbonylContact O-C 3.52Å; G310-K432 WeakPolarHBondContact O-CA 3.3Å; G310-R433 PolarHBondContact N-O 2.91Å; G310-R433 PolarHBondContact O-N 2.81Å
311R69.4Low73.9Confident162 Ų16270.7 Ų70.761%0.61138%0.383SS*.EExtended strand (participates in β ladder)trans-73.3135.1167.1-72.2-176.3178.9158.73.5109.4N429R311-N429 PolarHBondContact NE-O 3.27Å; R311-N429 PolarHBondContact NH1-OD1 3.4Å
312T74.7Confident75.2Confident7 Ų766.1 Ų66.14%0.04336%0.362CS..  trans-85.9141.5173-172.20000110.6D314 A317 I318 T431T312-D314 WeakPolarHBondContact OG1-CB 3.26Å; T312-D314 PolarHBondContact OG1-N 2.84Å; T312-D314 VanDerWaalsContact OG1-N 3.08Å; T312-A317 HydrophobicContact CG2-CB 4.11Å; T312-I318 HydrophobicContact CG2-CG1 3.91Å; T312-T431 PolarHBondContact N-O 2.92Å
313T78.1Confident76.1Confident130 Ų13061.3 Ų61.380%0.79833%0.331SS*.  trans-104.5-1.7166.452.40000111.5K315T313-K315 PolarHBondContact O-N 2.96Å
314D83.6Confident77.1Confident82 Ų8258.2 Ų58.244%0.43930%0.296SS..  trans-72120.2177.4173.932.8000110.6T312 H316 A317 I318T312-D314 WeakPolarHBondContact OG1-CB 3.26Å; T312-D314 PolarHBondContact OG1-N 2.84Å; T312-D314 VanDerWaalsContact OG1-N 3.08Å; D314-H316 VanDerWaalsContact C-N 3.28Å; D314-H316 PolarHBondContact O-N 2.85Å; D314-H316 PolarHBondContact OD1-N 2.71Å; D314-H316 VanDerWaalsContact OD1-N 3.14Å; D314-A317 HydrophobicContact CB-CB 4.11Å; D314-A317 PolarHBondContact O-N 3.44Å; D314-A317 WeakPolarHBondContact OD2-CB 3.36Å; D314-A317 PolarHBondContact OD2-N 2.87Å; D314-I318 WeakPolarHBondContact O-CD1 3.5Å; D314-I318 WeakPolarHBondContact O-CG1 3.46Å; D314-I318 PolarHBondContact O-N 3.11Å
315K87.5Confident78.2Confident123 Ų12355.2 Ų55.254%0.53529%0.287SS..Hα-helixtrans-59.6-39.1-179.9-75.7-177.6179176.70111.8T313 I318 Q319 Y402T313-K315 PolarHBondContact O-N 2.96Å; K315-I318 PolarHBondContact O-N 2.83Å; K315-Q319 VanDerWaalsContact O-CG 3.26Å; K315-Q319 WeakPolarHBondContact O-CG 3.46Å; K315-Q319 PolarHBondContact O-N 3.22Å; K315-Q319 PolarHBondContact O-OE1 3.39Å; K315-Y402 HydrophobicContact CB-CD2 3.44Å; K315-Y402 VanDerWaalsContact CB-CD2 3.44Å; K315-Y402 HydrophobicContact CB-CE2 3.74Å; K315-Y402 HydrophobicContact CB-CG 4.04Å; K315-Y402 HydrophobicContact CD-CD1 3.97Å; K315-Y402 HydrophobicContact CD-CD2 4.03Å; K315-Y402 HydrophobicContact CD-CE1 4.33Å; K315-Y402 HydrophobicContact CD-CE2 4.39Å; K315-Y402 HydrophobicContact CD-CG 3.81Å; K315-Y402 HydrophobicContact CG-CD1 4.33Å; K315-Y402 HydrophobicContact CG-CD2 3.71Å; K315-Y402 HydrophobicContact CG-CE1 4.35Å; K315-Y402 HydrophobicContact CG-CE2 3.73Å; K315-Y402 HydrophobicContact CG-CG 4.02Å
316H87Confident79.8Confident89 Ų8948.5 Ų48.541%0.41225%0.251SS..Hα-helixtrans-68.6-48.5-178.2-173.9-90.5000111D314 I318 Q319 Q320D314-H316 VanDerWaalsContact C-N 3.28Å; D314-H316 PolarHBondContact O-N 2.85Å; D314-H316 PolarHBondContact OD1-N 2.71Å; D314-H316 VanDerWaalsContact OD1-N 3.14Å; H316-I318 VanDerWaalsContact C-N 3.3Å; H316-I318 PolarHBondContact O-N 2.9Å; H316-Q319 WeakPolarHBondContact O-CB 3.25Å; H316-Q319 PolarHBondContact O-N 3.43Å; H316-Q319 VanDerWaalsContact O-N 3.12Å; H316-Q320 PolarHBondContact CE1-NE2 3.42Å; H316-Q320 PolarHBondContact CE1-OE1 3.41Å; H316-Q320 VanDerWaalsContact CE1-OE1 3.26Å; H316-Q320 VanDerWaalsContact ND1-CD 3.32Å; H316-Q320 PolarHBondContact ND1-OE1 3.14Å; H316-Q320 WeakPolarHBondContact O-CG 3.31Å; H316-Q320 PolarHBondContact O-N 3.44Å
317A84.1Confident81.2Confident12 Ų1242 Ų4210%0.09922%0.217CC..Hα-helixtrans-57.5-4117400000112.9T312 D314 Q320 Q321T312-A317 HydrophobicContact CG2-CB 4.11Å; D314-A317 HydrophobicContact CB-CB 4.11Å; D314-A317 PolarHBondContact O-N 3.44Å; D314-A317 WeakPolarHBondContact OD2-CB 3.36Å; D314-A317 PolarHBondContact OD2-N 2.87Å; A317-Q320 PolarHBondContact O-N 3.28Å; A317-Q321 WeakPolarHBondContact O-CB 3.49Å; A317-Q321 WeakPolarHBondContact O-CG 3.47Å; A317-Q321 PolarHBondContact O-N 2.86Å
318I86.4Confident82.3Confident6 Ų642.8 Ų42.83%0.03122%0.222CC..Hα-helixtrans-58.5-48.6174.7-70.2161.9000110.5T312 D314 K315 H316 T322 Y402 F405 Y427 L428 T431T312-I318 HydrophobicContact CG2-CG1 3.91Å; D314-I318 WeakPolarHBondContact O-CD1 3.5Å; D314-I318 WeakPolarHBondContact O-CG1 3.46Å; D314-I318 PolarHBondContact O-N 3.11Å; K315-I318 PolarHBondContact O-N 2.83Å; H316-I318 VanDerWaalsContact C-N 3.3Å; H316-I318 PolarHBondContact O-N 2.9Å; I318-T322 VanDerWaalsContact O-CB 3.23Å; I318-T322 WeakPolarHBondContact O-CB 3.45Å; I318-T322 PolarHBondContact O-N 3.05Å; I318-T322 PolarHBondContact O-OG1 3.46Å; I318-Y402 HydrophobicContact CB-CE2 4.45Å; I318-Y402 HydrophobicContact CG2-CE2 4.2Å; I318-F405 HydrophobicContact CG2-CE1 4.03Å; I318-F405 HydrophobicContact CG2-CZ 4.21Å; I318-Y427 HydrophobicContact CG2-CD2 3.78Å; I318-Y427 HydrophobicContact CG2-CE2 3.99Å; I318-L428 HydrophobicContact CD1-CD2 3.8Å; I318-L428 HydrophobicContact CG2-CD2 4.23Å; I318-T431 HydrophobicContact CB-CG2 4.3Å; I318-T431 HydrophobicContact CG1-CG2 4.23Å; I318-T431 HydrophobicContact CG2-CG2 4.25Å
319Q90.8Very high83.7Confident12 Ų1242.4 Ų42.46%0.05621%0.213CC..Hα-helixtrans-59.9-49.1177.8-69.7172.3-86.600111K315 H316 T322 I323 L396 Y400 Y402 F405K315-Q319 VanDerWaalsContact O-CG 3.26Å; K315-Q319 WeakPolarHBondContact O-CG 3.46Å; K315-Q319 PolarHBondContact O-N 3.22Å; K315-Q319 PolarHBondContact O-OE1 3.39Å; H316-Q319 WeakPolarHBondContact O-CB 3.25Å; H316-Q319 PolarHBondContact O-N 3.43Å; H316-Q319 VanDerWaalsContact O-N 3.12Å; Q319-T322 PolarHBondContact O-N 3.15Å; Q319-I323 WeakPolarHBondContact O-CB 3.33Å; Q319-I323 WeakPolarHBondContact O-CG1 3.28Å; Q319-I323 PolarHBondContact O-N 3.38Å; Q319-L396 HydrophobicContact CB-CD1 3.42Å; Q319-L396 VanDerWaalsContact CB-CD1 3.42Å; Q319-Y400 PolarHBondContact NE2-O 3.24Å; Q319-Y402 HydrophobicContact CG-CD2 3.68Å; Q319-Y402 HydrophobicContact CG-CE2 4.19Å; Q319-F405 HydrophobicContact CB-CD2 4.31Å; Q319-F405 HydrophobicContact CB-CG 4.4Å; Q319-F405 HydrophobicContact CG-CB 3.88Å; Q319-F405 HydrophobicContact CG-CD1 3.73Å; Q319-F405 HydrophobicContact CG-CD2 3.98Å; Q319-F405 HydrophobicContact CG-CE1 4.23Å; Q319-F405 HydrophobicContact CG-CE2 4.45Å; Q319-F405 HydrophobicContact CG-CG 3.59Å
320Q88.3Confident84.9Confident25 Ų2540 Ų4012%0.11720%0.198CC..Hα-helixtrans-59.4-53-177.4-72.8179.5-66.900112H316 A317 T322 I323 F324 E392 F394 L396H316-Q320 PolarHBondContact CE1-NE2 3.42Å; H316-Q320 PolarHBondContact CE1-OE1 3.41Å; H316-Q320 VanDerWaalsContact CE1-OE1 3.26Å; H316-Q320 VanDerWaalsContact ND1-CD 3.32Å; H316-Q320 PolarHBondContact ND1-OE1 3.14Å; H316-Q320 WeakPolarHBondContact O-CG 3.31Å; H316-Q320 PolarHBondContact O-N 3.44Å; A317-Q320 PolarHBondContact O-N 3.28Å; Q320-T322 PolarHBondContact O-N 3.19Å; Q320-I323 PolarHBondContact O-N 3.37Å; Q320-F324 VanDerWaalsContact O-CB 3.3Å; Q320-F324 WeakPolarHBondContact O-CB 3.39Å; Q320-F324 PolarHBondContact O-N 2.88Å; Q320-E392 PolarHBondContact NE2-O 3.33Å; Q320-F394 PolarHBondContact NE2-O 3.44Å; Q320-L396 HydrophobicContact CB-CD1 4.5Å; Q320-L396 HydrophobicContact CG-CD1 3.62Å; Q320-L396 HydrophobicContact CG-CG 3.85Å
321Q87.2Confident86Confident20 Ų2042.9 Ų42.99%0.09321%0.211CC..Hα-helixtrans-65.8-38.9-177.9-71.9175.529.500112.5A317 S325 A391 T431 K432A317-Q321 WeakPolarHBondContact O-CB 3.49Å; A317-Q321 WeakPolarHBondContact O-CG 3.47Å; A317-Q321 PolarHBondContact O-N 2.86Å; Q321-S325 WeakPolarHBondContact O-CB 3.5Å; Q321-S325 PolarHBondContact O-N 3.41Å; Q321-A391 HydrophobicContact CG-CB 3.85Å; Q321-T431 HydrophobicContact CB-CG2 4.07Å; Q321-K432 PolarHBondContact NE2-O 2.92Å; Q321-K432 PolarHBondContact OE1-O 3.49Å
322T90.2Very high86.6Confident5 Ų537.7 Ų37.73%0.03120%0.199CC..Hα-helixtrans-69.1-42.7179.4-51.70000111.3I318 Q319 Q320 S325 L326 F405 M409 F422 Y427I318-T322 VanDerWaalsContact O-CB 3.23Å; I318-T322 WeakPolarHBondContact O-CB 3.45Å; I318-T322 PolarHBondContact O-N 3.05Å; I318-T322 PolarHBondContact O-OG1 3.46Å; Q319-T322 PolarHBondContact O-N 3.15Å; Q320-T322 PolarHBondContact O-N 3.19Å; T322-S325 PolarHBondContact O-N 3.06Å; T322-L326 PolarHBondContact O-N 3.16Å; T322-F405 HydrophobicContact CG2-CE2 3.85Å; T322-F405 HydrophobicContact CG2-CZ 3.8Å; T322-M409 HydrophobicContact CG2-CG 4.24Å; T322-M409 HydrophobicContact CG2-SD 3.66Å; T322-F422 HydrophobicContact CG2-CD1 4Å; T322-Y427 HydrophobicContact CG2-CD1 4.37Å; T322-Y427 HydrophobicContact CG2-CG 4.15Å
323I91.4Very high86.6Confident0 Ų046.9 Ų46.90%024%0.238CC..Hα-helixtrans-68.2-38.1177.4-64.5-65.9000111Q319 Q320 L326 L327 L360 A363 T364 F394 L396 Y400 F405 M409Q319-I323 WeakPolarHBondContact O-CB 3.33Å; Q319-I323 WeakPolarHBondContact O-CG1 3.28Å; Q319-I323 PolarHBondContact O-N 3.38Å; Q320-I323 PolarHBondContact O-N 3.37Å; I323-L326 WeakPolarHBondContact O-CB 3.42Å; I323-L326 PolarHBondContact O-N 2.92Å; I323-L327 PolarHBondContact O-N 2.95Å; I323-L360 HydrophobicContact CG2-CD2 4.06Å; I323-A363 HydrophobicContact CD1-CB 3.81Å; I323-A363 HydrophobicContact CG1-CB 4.18Å; I323-A363 HydrophobicContact CG2-CB 4.11Å; I323-T364 HydrophobicContact CG2-CG2 4.16Å; I323-F394 HydrophobicContact CB-CE1 4.39Å; I323-F394 HydrophobicContact CG2-CD1 4.43Å; I323-F394 HydrophobicContact CG2-CE1 3.6Å; I323-F394 HydrophobicContact CG2-CZ 4.33Å; I323-L396 HydrophobicContact CB-CD2 4.24Å; I323-L396 HydrophobicContact CG1-CD2 4.08Å; I323-L396 HydrophobicContact CG2-CD2 4.4Å; I323-Y400 HydrophobicContact CD1-CE1 4.21Å; I323-Y400 HydrophobicContact CG1-CE1 4.28Å; I323-F405 HydrophobicContact CD1-CD2 4.15Å; I323-F405 HydrophobicContact CD1-CE2 4.29Å; I323-F405 HydrophobicContact CG1-CD2 4.27Å; I323-F405 HydrophobicContact CG1-CE2 4.29Å; I323-M409 HydrophobicContact CD1-CE 3.67Å
324F89Confident86.8Confident11 Ų1140.9 Ų40.95%0.04820%0.203CC..Hα-helixtrans-62.1-45173.9-177.6-109.2000111.8Q320 L326 L327 Q328 Q375 L390 A391 F394Q320-F324 VanDerWaalsContact O-CB 3.3Å; Q320-F324 WeakPolarHBondContact O-CB 3.39Å; Q320-F324 PolarHBondContact O-N 2.88Å; F324-L326 VanDerWaalsContact C-N 3.29Å; F324-L326 PolarHBondContact O-N 3.13Å; F324-L327 WeakPolarHBondContact O-CB 3.36Å; F324-L327 PolarHBondContact O-N 3.45Å; F324-Q328 HydrophobicContact CE1-CG 4.37Å; F324-Q328 HydrophobicContact CZ-CG 4.48Å; F324-Q328 WeakPolarHBondContact O-CG 3.44Å; F324-Q328 PolarHBondContact O-N 3.07Å; F324-Q375 HydrophobicContact CE2-CG 4.41Å; F324-L390 HydrophobicContact CE1-CB 4.29Å; F324-L390 HydrophobicContact CZ-CB 3.92Å; F324-A391 HydrophobicContact CB-CB 4.16Å; F324-A391 HydrophobicContact CD1-CB 3.63Å; F324-A391 HydrophobicContact CE1-CB 4.22Å; F324-A391 HydrophobicContact CG-CB 4.01Å; F324-F394 HydrophobicContact CB-CG 4.33Å; F324-F394 HydrophobicContact CD2-CB 4.37Å; F324-F394 AromaticContact CD2-CD2 3.7Å; F324-F394 HydrophobicContact CD2-CD2 3.7Å; F324-F394 HydrophobicContact CD2-CE2 4.17Å; F324-F394 HydrophobicContact CD2-CG 4.11Å; F324-F394 HydrophobicContact CE2-CD2 4.41Å
325S87.3Confident86.9Confident33 Ų3337.1 Ų37.123%0.23118%0.183CC..Hα-helixtrans-60.3-38.3173.2-178.60000112.1Q321 T322 L327 Q328 Q329Q321-S325 WeakPolarHBondContact O-CB 3.5Å; Q321-S325 PolarHBondContact O-N 3.41Å; T322-S325 PolarHBondContact O-N 3.06Å; S325-L327 PolarHBondContact O-N 2.96Å; S325-Q328 PolarHBondContact O-N 3.41Å; S325-Q329 PolarHBondContact O-N 3.1Å
326L91.6Very high86.5Confident0 Ų033.6 Ų33.60%017%0.169CC..Hα-helixtrans-62.7-42.7175.6-173.666.7000112T322 I323 F324 Q329 Y330 F335 I356 I359 L360 M409 V412 F422T322-L326 PolarHBondContact O-N 3.16Å; I323-L326 WeakPolarHBondContact O-CB 3.42Å; I323-L326 PolarHBondContact O-N 2.92Å; F324-L326 VanDerWaalsContact C-N 3.29Å; F324-L326 PolarHBondContact O-N 3.13Å; L326-Q329 PolarHBondContact O-N 2.83Å; L326-Y330 VanDerWaalsContact O-CB 3.26Å; L326-Y330 WeakPolarHBondContact O-CB 3.4Å; L326-Y330 PolarHBondContact O-N 3.33Å; L326-F335 HydrophobicContact CD1-CE1 3.84Å; L326-I356 HydrophobicContact CD1-CG2 4Å; L326-I356 HydrophobicContact CD2-CG2 4.24Å; L326-I356 HydrophobicContact CG-CG2 4.13Å; L326-I359 HydrophobicContact CD2-CG2 4.28Å; L326-L360 HydrophobicContact CB-CD2 4.07Å; L326-L360 HydrophobicContact CD2-CD2 3.88Å; L326-L360 HydrophobicContact CD2-CG 4.1Å; L326-L360 HydrophobicContact CG-CD2 3.95Å; L326-L360 HydrophobicContact CG-CG 4.3Å; L326-M409 HydrophobicContact CD2-CE 4.05Å; L326-V412 HydrophobicContact CD1-CG1 3.72Å; L326-V412 HydrophobicContact CD1-CG2 4.38Å; L326-V412 HydrophobicContact CD2-CG2 4.12Å; L326-F422 VanDerWaalsContact CA-CE1 3.5Å; L326-F422 HydrophobicContact CB-CD1 4.27Å; L326-F422 HydrophobicContact CB-CE1 3.58Å; L326-F422 HydrophobicContact CB-CZ 4.07Å; L326-F422 HydrophobicContact CD1-CD1 3.97Å; L326-F422 HydrophobicContact CD1-CD2 4.16Å; L326-F422 HydrophobicContact CD1-CE1 3.61Å; L326-F422 HydrophobicContact CD1-CE2 3.81Å; L326-F422 HydrophobicContact CD1-CG 4.24Å; L326-F422 HydrophobicContact CD1-CZ 3.52Å; L326-F422 HydrophobicContact CG-CE1 4.21Å; L326-F422 HydrophobicContact CG-CZ 4.42Å
327L90.3Very high86.2Confident0 Ų029.6 Ų29.60%015%0.151CC..Hα-helixtrans-61.4-44.3175.918066.6000111.2I323 F324 S325 Y330 N331 L360 V368 L371 F394I323-L327 PolarHBondContact O-N 2.95Å; F324-L327 WeakPolarHBondContact O-CB 3.36Å; F324-L327 PolarHBondContact O-N 3.45Å; S325-L327 PolarHBondContact O-N 2.96Å; L327-Y330 WeakPolarHBondContact O-CB 3.13Å; L327-Y330 PolarHBondContact O-N 3.18Å; L327-N331 PolarHBondContact O-N 2.7Å; L327-N331 VanDerWaalsContact O-N 3.13Å; L327-N331 PolarHBondContact O-ND2 3.32Å; L327-L360 HydrophobicContact CB-CD2 4.02Å; L327-L360 HydrophobicContact CD1-CD1 4.14Å; L327-V368 HydrophobicContact CD1-CG1 4.03Å; L327-L371 HydrophobicContact CD1-CB 4.13Å; L327-L371 HydrophobicContact CD1-CD1 4.17Å; L327-L371 HydrophobicContact CD2-CB 3.8Å; L327-L371 HydrophobicContact CD2-CD1 4.47Å; L327-F394 HydrophobicContact CD2-CE2 3.73Å; L327-F394 HydrophobicContact CD2-CZ 4.06Å
328Q85.4Confident85.7Confident57 Ų5733.3 Ų33.327%0.26616%0.163SC..Hα-helixtrans-60.8-47.5177.5-70.3-176-21.200111.8F324 S325 Y330 N331 S332F324-Q328 HydrophobicContact CE1-CG 4.37Å; F324-Q328 HydrophobicContact CZ-CG 4.48Å; F324-Q328 WeakPolarHBondContact O-CG 3.44Å; F324-Q328 PolarHBondContact O-N 3.07Å; S325-Q328 PolarHBondContact O-N 3.41Å; Q328-Y330 PolarHBondContact O-N 3.44Å; Q328-N331 PolarHBondContact O-N 3.43Å; Q328-S332 PolarHBondContact O-N 2.98Å
329Q87.8Confident84.6Confident19 Ų1935.1 Ų35.19%0.08918%0.175CC..Hα-helixtrans-68.6-33.3177.7-67.1-162.724.900112.4S325 L326 N331 S332 F335 D421 F422S325-Q329 PolarHBondContact O-N 3.1Å; L326-Q329 PolarHBondContact O-N 2.83Å; Q329-N331 VanDerWaalsContact C-N 3.29Å; Q329-N331 PolarHBondContact O-N 2.9Å; Q329-S332 WeakPolarHBondContact O-CB 3.42Å; Q329-S332 PolarHBondContact O-N 3.15Å; Q329-S332 PolarHBondContact O-OG 3.43Å; Q329-F335 HydrophobicContact CB-CD1 3.47Å; Q329-F335 VanDerWaalsContact CB-CD1 3.47Å; Q329-F335 HydrophobicContact CB-CE1 3.65Å; Q329-F335 HydrophobicContact CB-CG 4.34Å; Q329-F335 HydrophobicContact CG-CD1 4.49Å; Q329-D421 PolarHBondContact NE2-OD2 3.18Å; Q329-F422 HydrophobicContact CB-CZ 4.36Å; Q329-F422 HydrophobicContact CG-CZ 4.3Å
330Y89.9Confident83.5Confident34 Ų3444 Ų4413%0.13322%0.215CC..Hα-helixtrans-60.2-38.1175.2176.8-89.8000113L326 L327 Q328 S332 F335 K353 I356 K357 L360 V368L326-Y330 VanDerWaalsContact O-CB 3.26Å; L326-Y330 WeakPolarHBondContact O-CB 3.4Å; L326-Y330 PolarHBondContact O-N 3.33Å; L327-Y330 WeakPolarHBondContact O-CB 3.13Å; L327-Y330 PolarHBondContact O-N 3.18Å; Q328-Y330 PolarHBondContact O-N 3.44Å; Y330-S332 VanDerWaalsContact C-N 3.29Å; Y330-F335 HydrophobicContact CD2-CZ 4.37Å; Y330-K353 HydrophobicContact CD2-CG 4.1Å; Y330-K353 HydrophobicContact CE2-CD 4.2Å; Y330-K353 HydrophobicContact CE2-CG 3.45Å; Y330-K353 VanDerWaalsContact CE2-CG 3.45Å; Y330-K353 WeakPolarHBondContact CE2-O 3.4Å; Y330-K353 WeakPolarHBondContact O-CE 3.35Å; Y330-K353 PolarHBondContact O-NZ 2.78Å; Y330-I356 HydrophobicContact CD2-CB 4.35Å; Y330-I356 HydrophobicContact CD2-CG2 3.85Å; Y330-K357 HydrophobicContact CE2-CB 3.93Å; Y330-L360 HydrophobicContact CD1-CD1 4.26Å; Y330-L360 HydrophobicContact CD2-CD1 4.13Å; Y330-L360 HydrophobicContact CG-CD1 3.81Å; Y330-V368 HydrophobicContact CD1-CG1 4.05Å; Y330-V368 HydrophobicContact CE1-CG1 3.77Å
331N85.7Confident82Confident74 Ų7445.8 Ų45.840%0.39624%0.239SC..Hα-helixtrans-78.1-13.2176.2-68.8-32.8000113.3L327 Q328 Q329 N372L327-N331 PolarHBondContact O-N 2.7Å; L327-N331 VanDerWaalsContact O-N 3.13Å; L327-N331 PolarHBondContact O-ND2 3.32Å; Q328-N331 PolarHBondContact O-N 3.43Å; Q329-N331 VanDerWaalsContact C-N 3.29Å; Q329-N331 PolarHBondContact O-N 2.9Å; N331-N372 PolarHBondContact ND2-OD1 2.96Å; N331-N372 PolarHBondContact OD1-ND2 3.23Å; N331-N372 VanDerWaalsContact OD1-ND2 3.17Å
332S81.5Confident80.7Confident52 Ų5252.2 Ų52.236%0.36427%0.267SS..SBendtrans-84176.9177.884.70000112.7Q328 Q329 Y330 G334Q328-S332 PolarHBondContact O-N 2.98Å; Q329-S332 WeakPolarHBondContact O-CB 3.42Å; Q329-S332 PolarHBondContact O-N 3.15Å; Q329-S332 PolarHBondContact O-OG 3.43Å; Y330-S332 VanDerWaalsContact C-N 3.29Å; S332-G334 PolarHBondContact O-N 3.31Å; S332-G334 PolarHBondContact OG-N 3.06Å; S332-G334 PolarHBondContact OG-O 3.41Å
333K76.4Confident79.8Confident200 Ų20057.1 Ų57.187%0.8729%0.293SS*.SBendtrans-67.8-18.4-179.7-69.6-175.4179.51780113.8T347K333-T347 PolarHBondContact O-OG1 3.05Å
334G82.2Confident79.1Confident5 Ų563.1 Ų63.15%0.05232%0.319CS..SBendtrans177.4170.8-179.400000111.3S332 V346S332-G334 PolarHBondContact O-N 3.31Å; S332-G334 PolarHBondContact OG-N 3.06Å; S332-G334 PolarHBondContact OG-O 3.41Å; G334-V346 CarbonylContact C-O 3.34Å; G334-V346 WeakPolarHBondContact CA-O 3.49Å
335F85.6Confident78.8Confident3 Ų366.3 Ų66.31%0.01334%0.339CS..EExtended strand (participates in β ladder)trans-95.2144.3-177.1-66.3-95.6000111L326 Q329 Y330 T345 V346 P348 I356 I416 F422L326-F335 HydrophobicContact CD1-CE1 3.84Å; Q329-F335 HydrophobicContact CB-CD1 3.47Å; Q329-F335 VanDerWaalsContact CB-CD1 3.47Å; Q329-F335 HydrophobicContact CB-CE1 3.65Å; Q329-F335 HydrophobicContact CB-CG 4.34Å; Q329-F335 HydrophobicContact CG-CD1 4.49Å; Y330-F335 HydrophobicContact CD2-CZ 4.37Å; F335-T345 CarbonylContact O-C 3.52Å; F335-T345 WeakPolarHBondContact O-CA 3.48Å; F335-V346 PolarHBondContact N-O 3.23Å; F335-V346 PolarHBondContact O-N 3.11Å; F335-P348 HydrophobicContact CD2-CG 3.57Å; F335-P348 HydrophobicContact CE2-CG 3.46Å; F335-P348 VanDerWaalsContact CE2-CG 3.46Å; F335-I356 HydrophobicContact CE1-CD1 4.34Å; F335-I356 HydrophobicContact CE1-CG2 4.48Å; F335-I356 HydrophobicContact CE2-CD1 3.85Å; F335-I356 HydrophobicContact CZ-CD1 3.71Å; F335-I356 HydrophobicContact CZ-CG2 4.06Å; F335-I416 HydrophobicContact CB-CB 4.39Å; F335-I416 HydrophobicContact CB-CD1 3.71Å; F335-I416 HydrophobicContact CB-CG1 3.9Å; F335-I416 HydrophobicContact CB-CG2 3.57Å; F335-I416 HydrophobicContact CD1-CD1 3.38Å; F335-I416 HydrophobicContact CD1-CG1 4.26Å; F335-I416 HydrophobicContact CD2-CD1 4.25Å; F335-I416 HydrophobicContact CD2-CG1 4.27Å; F335-I416 HydrophobicContact CE1-CD1 4.01Å; F335-I416 HydrophobicContact CG-CD1 3.5Å; F335-I416 VanDerWaalsContact CG-CD1 3.5Å; F335-I416 HydrophobicContact CG-CG1 3.87Å; F335-I416 HydrophobicContact CG-CG2 4.46Å; F335-F422 AromaticContact CD1-CE2 3.84Å; F335-F422 HydrophobicContact CD1-CE2 3.84Å; F335-F422 HydrophobicContact CD1-CZ 4.39Å; F335-F422 HydrophobicContact CE1-CE2 4.42Å
336N78.8Confident78.7Confident48 Ų4866.5 Ų66.526%0.25734%0.339SS..EExtended strand (participates in β ladder)trans-86134.7-179-69.6-28.1000111.1Y338 L343 T345N336-Y338 HydrophobicContact CB-CE2 4.37Å; N336-L343 HydrophobicContact CB-CD1 3.89Å; N336-T345 PolarHBondContact OD1-OG1 3.29Å
337T80.1Confident78.5Confident5 Ų571.7 Ų71.73%0.03137%0.371CS..EExtended strand (participates in β ladder)trans-130.9152173.362.70000110P339 L343 K344 V346 I416T337-P339 WeakPolarHBondContact O-CD 3.26Å; T337-L343 CarbonylContact O-C 3.56Å; T337-K344 PolarHBondContact N-O 2.96Å; T337-K344 PolarHBondContact O-N 3.31Å; T337-K344 PolarHBondContact OG1-O 3.26Å; T337-V346 HydrophobicContact CG2-CG2 3.91Å; T337-I416 HydrophobicContact CG2-CG2 3.36Å
338Y73.1Confident78.1Confident90 Ų9072.4 Ų72.435%0.35338%0.376SS..  trans-123.958.7-179.3-57.6-88.2000112.3N336 F340 G341 F342 L343 G419 D421N336-Y338 HydrophobicContact CB-CE2 4.37Å; Y338-F340 PolarHBondContact O-N 3.37Å; Y338-F340 VanDerWaalsContact O-N 3.17Å; Y338-G341 PolarHBondContact O-N 3.43Å; Y338-F342 WeakPolarHBondContact CA-O 3.1Å; Y338-L343 HydrophobicContact CD1-CB 4.27Å; Y338-L343 HydrophobicContact CD1-CD1 4.23Å; Y338-L343 HydrophobicContact CE1-CB 4.04Å; Y338-L343 HydrophobicContact CE1-CD1 3.52Å; Y338-L343 HydrophobicContact CE1-CG 4.36Å; Y338-G419 WeakPolarHBondContact CD2-O 3.43Å; Y338-G419 PolarHBondContact N-O 2.94Å; Y338-D421 WeakPolarHBondContact CE2-OD1 3.22Å
339P65.2Low78.3Confident44 Ų4472.2 Ų72.229%0.28638%0.38SS..G310 helixtrans-58.312317425.7-34.3000110T337 G341 F342 K344T337-P339 WeakPolarHBondContact O-CD 3.26Å; P339-G341 PolarHBondContact O-N 2.91Å; P339-G341 VanDerWaalsContact O-N 3.09Å; P339-F342 VanDerWaalsContact CD-O 3.29Å; P339-F342 WeakPolarHBondContact CD-O 3.42Å; P339-F342 PolarHBondContact O-N 3.4Å; P339-K344 HydrophobicContact CG-CB 4.07Å; P339-K344 HydrophobicContact CG-CD 4.21Å
340F66.2Low78.3Confident200 Ų20080.8 Ų80.888%0.87742%0.417SS*.G310 helixtrans5622.8-176.5-48-75.6000114.6Y338 F342Y338-F340 PolarHBondContact O-N 3.37Å; Y338-F340 VanDerWaalsContact O-N 3.17Å; F340-F342 HydrophobicContact CB-CD2 4.22Å
341G58.1Low78.3Confident62 Ų6282.8 Ų82.864%0.63944%0.436SS*.G310 helixtrans83.63.2-17800000115.2Y338 P339Y338-G341 PolarHBondContact O-N 3.43Å; P339-G341 PolarHBondContact O-N 2.91Å; P339-G341 VanDerWaalsContact O-N 3.09Å
342F58.9Low78.5Confident155 Ų15581.4 Ų81.468%0.6843%0.429SS*.  trans-96.1129.6175.6-65.1-81.7000110.8Y338 P339 F340 K344Y338-F342 WeakPolarHBondContact CA-O 3.1Å; P339-F342 VanDerWaalsContact CD-O 3.29Å; P339-F342 WeakPolarHBondContact CD-O 3.42Å; P339-F342 PolarHBondContact O-N 3.4Å; F340-F342 HydrophobicContact CB-CD2 4.22Å; F342-K344 PolarHBondContact O-N 3.25Å
343L72Confident79Confident107 Ų10782.4 Ų82.456%0.5643%0.427SS*.  trans-62.1127.9176.2178.567.9000110.6N336 T337 Y338N336-L343 HydrophobicContact CB-CD1 3.89Å; T337-L343 CarbonylContact O-C 3.56Å; Y338-L343 HydrophobicContact CD1-CB 4.27Å; Y338-L343 HydrophobicContact CD1-CD1 4.23Å; Y338-L343 HydrophobicContact CE1-CB 4.04Å; Y338-L343 HydrophobicContact CE1-CD1 3.52Å; Y338-L343 HydrophobicContact CE1-CG 4.36Å
344K76.4Confident79.7Confident127 Ų12775 Ų7555%0.55240%0.403SS*.EExtended strand (participates in β ladder)trans-137.8122.9172.4179.6-177.2-180-1760109.1T337 P339 F342 V346T337-K344 PolarHBondContact N-O 2.96Å; T337-K344 PolarHBondContact O-N 3.31Å; T337-K344 PolarHBondContact OG1-O 3.26Å; P339-K344 HydrophobicContact CG-CB 4.07Å; P339-K344 HydrophobicContact CG-CD 4.21Å; F342-K344 PolarHBondContact O-N 3.25Å; K344-V346 HydrophobicContact CG-CG2 4.48Å
345T83Confident80.2Confident78 Ų7876.1 Ų76.148%0.47941%0.409SS..EExtended strand (participates in β ladder)trans-85.3127.5173.3-520000109.9F335 N336F335-T345 CarbonylContact O-C 3.52Å; F335-T345 WeakPolarHBondContact O-CA 3.48Å; N336-T345 PolarHBondContact OD1-OG1 3.29Å
346V84.1Confident80.6Confident37 Ų3776 Ų7622%0.22441%0.408CS..EExtended strand (participates in β ladder)trans-111.9125178.7179.60000108.8G334 F335 T337 K344 P348G334-V346 CarbonylContact C-O 3.34Å; G334-V346 WeakPolarHBondContact CA-O 3.49Å; F335-V346 PolarHBondContact N-O 3.23Å; F335-V346 PolarHBondContact O-N 3.11Å; T337-V346 HydrophobicContact CG2-CG2 3.91Å; K344-V346 HydrophobicContact CG-CG2 4.48Å; V346-P348 VanDerWaalsContact O-CD 3.24Å; V346-P348 WeakPolarHBondContact O-CD 3.39Å
347T87.4Confident81.3Confident108 Ų10877.7 Ų77.766%0.66341%0.413SS*.  trans-94.2107.6171.9-52.30000108.5K333K333-T347 PolarHBondContact O-OG1 3.05Å
348P83.1Confident81.9Confident16 Ų1683.3 Ų83.310%0.10444%0.439CS..  trans-63.5153.5-179.818.4-27.5000111.6F335 V346 D352 K353 I356F335-P348 HydrophobicContact CD2-CG 3.57Å; F335-P348 HydrophobicContact CE2-CG 3.46Å; F335-P348 VanDerWaalsContact CE2-CG 3.46Å; V346-P348 VanDerWaalsContact O-CD 3.24Å; V346-P348 WeakPolarHBondContact O-CD 3.39Å; P348-D352 HydrophobicContact CB-CB 3.71Å; P348-K353 HydrophobicContact CG-CB 4.44Å; P348-I356 HydrophobicContact CG-CD1 4.37Å
349S88.2Confident82.9Confident52 Ų5279.2 Ų79.236%0.36442%0.423SS..  trans-63.4165.217475.50000111S351 D352 K353S349-S351 PolarHBondContact O-N 2.79Å; S349-S351 PolarHBondContact OG-OG 3.32Å; S349-D352 WeakPolarHBondContact CB-OD2 3.4Å; S349-D352 PolarHBondContact N-OD2 3.42Å; S349-D352 PolarHBondContact O-N 3.01Å; S349-D352 VanDerWaalsContact O-N 3.14Å; S349-D352 PolarHBondContact OG-N 2.99Å; S349-D352 PolarHBondContact OG-OD1 2.93Å; S349-D352 PolarHBondContact OG-OD2 2.84Å; S349-K353 WeakPolarHBondContact O-CB 3.42Å; S349-K353 PolarHBondContact O-N 2.78Å
350K88.3Confident84.2Confident199 Ų19977.1 Ų77.187%0.86541%0.41SS*.Hα-helixtrans-57.9-37.1178.5-72.6-175.6178.5179.80112.3A354K350-A354 WeakPolarHBondContact O-CB 3.15Å; K350-A354 PolarHBondContact O-N 2.73Å
351S89.5Confident85.4Confident77 Ų7770.2 Ų70.254%0.53838%0.38SS..Hα-helixtrans-69.1-40.1176.248.90000112.4S349 A354 T355S349-S351 PolarHBondContact O-N 2.79Å; S349-S351 PolarHBondContact OG-OG 3.32Å; S351-A354 PolarHBondContact O-N 3.09Å; S351-T355 PolarHBondContact O-N 3.48Å; S351-T355 PolarHBondContact O-OG1 2.89Å
352D91.1Very high87Confident44 Ų4473.5 Ų73.524%0.23537%0.373CS..Hα-helixtrans-69.4-40.9179.7-55.3-23.2000110.1P348 S349 A354 T355 I356 L415P348-D352 HydrophobicContact CB-CB 3.71Å; S349-D352 WeakPolarHBondContact CB-OD2 3.4Å; S349-D352 PolarHBondContact N-OD2 3.42Å; S349-D352 PolarHBondContact O-N 3.01Å; S349-D352 VanDerWaalsContact O-N 3.14Å; S349-D352 PolarHBondContact OG-N 2.99Å; S349-D352 PolarHBondContact OG-OD1 2.93Å; S349-D352 PolarHBondContact OG-OD2 2.84Å; D352-A354 VanDerWaalsContact C-N 3.34Å; D352-A354 PolarHBondContact O-N 2.96Å; D352-T355 WeakPolarHBondContact O-CB 3.02Å; D352-T355 PolarHBondContact O-N 2.81Å; D352-I356 WeakPolarHBondContact O-CG1 3.44Å; D352-I356 PolarHBondContact O-N 3.33Å; D352-L415 HydrophobicContact CB-CB 4.34Å; D352-L415 HydrophobicContact CB-CD2 3.91Å; D352-L415 HydrophobicContact CB-CG 4.47Å; D352-L415 WeakPolarHBondContact OD1-CD2 3.5Å
353K90.8Very high88.6Confident74 Ų7466.1 Ų66.132%0.32234%0.341SS..Hα-helixtrans-63.4-39.3174.4-166.8166.5-173.71660111.5Y330 P348 S349 T355 I356 K357Y330-K353 HydrophobicContact CD2-CG 4.1Å; Y330-K353 HydrophobicContact CE2-CD 4.2Å; Y330-K353 HydrophobicContact CE2-CG 3.45Å; Y330-K353 VanDerWaalsContact CE2-CG 3.45Å; Y330-K353 WeakPolarHBondContact CE2-O 3.4Å; Y330-K353 WeakPolarHBondContact O-CE 3.35Å; Y330-K353 PolarHBondContact O-NZ 2.78Å; P348-K353 HydrophobicContact CG-CB 4.44Å; S349-K353 WeakPolarHBondContact O-CB 3.42Å; S349-K353 PolarHBondContact O-N 2.78Å; K353-T355 VanDerWaalsContact C-N 3.33Å; K353-T355 PolarHBondContact O-N 3.33Å; K353-I356 PolarHBondContact O-N 2.91Å; K353-K357 WeakPolarHBondContact O-CB 3.34Å; K353-K357 PolarHBondContact O-N 3.11Å
354A91.7Very high89.4Confident45 Ų4561.4 Ų61.437%0.37232%0.316SS..Hα-helixtrans-62.5-39.817300000112.1K350 S351 D352 K357 E358K350-A354 WeakPolarHBondContact O-CB 3.15Å; K350-A354 PolarHBondContact O-N 2.73Å; S351-A354 PolarHBondContact O-N 3.09Å; D352-A354 VanDerWaalsContact C-N 3.34Å; D352-A354 PolarHBondContact O-N 2.96Å; A354-K357 WeakPolarHBondContact O-CB 3.15Å; A354-K357 PolarHBondContact O-N 3.36Å; A354-E358 WeakPolarHBondContact O-CG 3.44Å; A354-E358 PolarHBondContact O-N 3.24Å
355T93.4Very high90Very high28 Ų2858.3 Ų58.317%0.17232%0.32CS..Hα-helixtrans-63.8-42.3175.6-55.20000112S351 D352 K353 K357 E358 I359 K411 L415S351-T355 PolarHBondContact O-N 3.48Å; S351-T355 PolarHBondContact O-OG1 2.89Å; D352-T355 WeakPolarHBondContact O-CB 3.02Å; D352-T355 PolarHBondContact O-N 2.81Å; K353-T355 VanDerWaalsContact C-N 3.33Å; K353-T355 PolarHBondContact O-N 3.33Å; T355-K357 VanDerWaalsContact C-N 3.31Å; T355-K357 PolarHBondContact O-N 3.47Å; T355-E358 PolarHBondContact O-N 3.02Å; T355-I359 HydrophobicContact CG2-CD1 4.42Å; T355-I359 WeakPolarHBondContact O-CG1 3.23Å; T355-I359 PolarHBondContact O-N 2.74Å; T355-I359 VanDerWaalsContact O-N 3.1Å; T355-K411 HydrophobicContact CG2-CD 4.19Å; T355-L415 HydrophobicContact CG2-CD1 3.76Å
356I92.5Very high90.3Very high0 Ų059 Ų590%032%0.317CS..Hα-helixtrans-64.8-38.3176-64.4167.3000110.6L326 Y330 F335 P348 D352 K353 I359 L360 L415 I416L326-I356 HydrophobicContact CD1-CG2 4Å; L326-I356 HydrophobicContact CD2-CG2 4.24Å; L326-I356 HydrophobicContact CG-CG2 4.13Å; Y330-I356 HydrophobicContact CD2-CB 4.35Å; Y330-I356 HydrophobicContact CD2-CG2 3.85Å; F335-I356 HydrophobicContact CE1-CD1 4.34Å; F335-I356 HydrophobicContact CE1-CG2 4.48Å; F335-I356 HydrophobicContact CE2-CD1 3.85Å; F335-I356 HydrophobicContact CZ-CD1 3.71Å; F335-I356 HydrophobicContact CZ-CG2 4.06Å; P348-I356 HydrophobicContact CG-CD1 4.37Å; D352-I356 WeakPolarHBondContact O-CG1 3.44Å; D352-I356 PolarHBondContact O-N 3.33Å; K353-I356 PolarHBondContact O-N 2.91Å; I356-I359 PolarHBondContact O-N 3.06Å; I356-L360 HydrophobicContact CG2-CD1 4.37Å; I356-L360 PolarHBondContact O-N 3.4Å; I356-L415 HydrophobicContact CG1-CD1 4Å; I356-I416 HydrophobicContact CD1-CD1 4.35Å; I356-I416 HydrophobicContact CD1-CG1 4.29Å
357K93.7Very high90.5Very high83 Ų8359.2 Ų59.236%0.36132%0.32SS..Hα-helixtrans-58.6-49.4174-170.7-167.1168.9-167.20111.1Y330 K353 A354 T355 I359 L360 E361 V368Y330-K357 HydrophobicContact CE2-CB 3.93Å; K353-K357 WeakPolarHBondContact O-CB 3.34Å; K353-K357 PolarHBondContact O-N 3.11Å; A354-K357 WeakPolarHBondContact O-CB 3.15Å; A354-K357 PolarHBondContact O-N 3.36Å; T355-K357 VanDerWaalsContact C-N 3.31Å; T355-K357 PolarHBondContact O-N 3.47Å; K357-I359 VanDerWaalsContact C-N 3.28Å; K357-I359 PolarHBondContact O-N 2.98Å; K357-L360 WeakPolarHBondContact O-CB 3.45Å; K357-L360 PolarHBondContact O-N 2.96Å; K357-L360 VanDerWaalsContact O-N 3.17Å; K357-E361 WeakPolarHBondContact CE-OE1 3.42Å; K357-E361 IonicContact NZ-OE1 3.75Å; K357-E361 WeakPolarHBondContact O-CG 3.47Å; K357-E361 PolarHBondContact O-N 3.3Å; K357-V368 HydrophobicContact CG-CB 4.5Å; K357-V368 HydrophobicContact CG-CG2 3.67Å
358E93.5Very high90.5Very high124 Ų12454.4 Ų54.458%0.57929%0.291SS*.Hα-helixtrans-59.2-37.8177.1-72173.2-174.300112.5A354 T355 E361 R362A354-E358 WeakPolarHBondContact O-CG 3.44Å; A354-E358 PolarHBondContact O-N 3.24Å; T355-E358 PolarHBondContact O-N 3.02Å; E358-E361 PolarHBondContact O-N 3.38Å; E358-R362 VanDerWaalsContact O-CB 3.28Å; E358-R362 WeakPolarHBondContact O-CB 3.43Å; E358-R362 PolarHBondContact O-N 3.43Å
359I93.7Very high90.7Very high3 Ų357.1 Ų57.12%0.01531%0.314CS..Hα-helixtrans-64-46.1175.7-69.8169.9000110.9L326 T355 I356 K357 E361 R362 A363 D408 M409 K411 V412L326-I359 HydrophobicContact CD2-CG2 4.28Å; T355-I359 HydrophobicContact CG2-CD1 4.42Å; T355-I359 WeakPolarHBondContact O-CG1 3.23Å; T355-I359 PolarHBondContact O-N 2.74Å; T355-I359 VanDerWaalsContact O-N 3.1Å; I356-I359 PolarHBondContact O-N 3.06Å; K357-I359 VanDerWaalsContact C-N 3.28Å; K357-I359 PolarHBondContact O-N 2.98Å; I359-E361 PolarHBondContact O-N 2.81Å; I359-R362 PolarHBondContact O-N 3.27Å; I359-A363 WeakPolarHBondContact O-CB 3.34Å; I359-A363 PolarHBondContact O-N 2.67Å; I359-D408 HydrophobicContact CD1-CB 4.41Å; I359-D408 HydrophobicContact CG1-CB 4.47Å; I359-D408 HydrophobicContact CG2-CB 3.83Å; I359-M409 HydrophobicContact CG2-CE 4.24Å; I359-K411 HydrophobicContact CD1-CB 4.49Å; I359-V412 HydrophobicContact CD1-CG2 3.74Å; I359-V412 HydrophobicContact CG2-CG2 4.48Å
360L92.4Very high90.7Very high0 Ų059.3 Ų59.30%032%0.319CS..Hα-helixtrans-60.7-44.2177.3-75.5168.2000111.9I323 L326 L327 Y330 I356 K357 A363 T364 V368I323-L360 HydrophobicContact CG2-CD2 4.06Å; L326-L360 HydrophobicContact CB-CD2 4.07Å; L326-L360 HydrophobicContact CD2-CD2 3.88Å; L326-L360 HydrophobicContact CD2-CG 4.1Å; L326-L360 HydrophobicContact CG-CD2 3.95Å; L326-L360 HydrophobicContact CG-CG 4.3Å; L327-L360 HydrophobicContact CB-CD2 4.02Å; L327-L360 HydrophobicContact CD1-CD1 4.14Å; Y330-L360 HydrophobicContact CD1-CD1 4.26Å; Y330-L360 HydrophobicContact CD2-CD1 4.13Å; Y330-L360 HydrophobicContact CG-CD1 3.81Å; I356-L360 HydrophobicContact CG2-CD1 4.37Å; I356-L360 PolarHBondContact O-N 3.4Å; K357-L360 WeakPolarHBondContact O-CB 3.45Å; K357-L360 PolarHBondContact O-N 2.96Å; K357-L360 VanDerWaalsContact O-N 3.17Å; L360-A363 PolarHBondContact O-N 2.92Å; L360-T364 WeakPolarHBondContact O-CG2 3.31Å; L360-T364 PolarHBondContact O-N 3.08Å; L360-T364 PolarHBondContact O-OG1 3.15Å; L360-V368 HydrophobicContact CB-CG2 4.12Å; L360-V368 HydrophobicContact CD1-CG2 4.28Å
361E92.6Very high90.6Very high55 Ų5550.1 Ų50.126%0.25728%0.279SS..Hα-helixtrans-69.3-39.8-178-65-177.6156.700111.6K357 E358 I359 G365 K366 S367 V368K357-E361 WeakPolarHBondContact CE-OE1 3.42Å; K357-E361 IonicContact NZ-OE1 3.75Å; K357-E361 WeakPolarHBondContact O-CG 3.47Å; K357-E361 PolarHBondContact O-N 3.3Å; E358-E361 PolarHBondContact O-N 3.38Å; I359-E361 PolarHBondContact O-N 2.81Å; E361-G365 VanDerWaalsContact O-CA 3.29Å; E361-G365 WeakPolarHBondContact O-CA 3.45Å; E361-G365 PolarHBondContact O-N 3.36Å; E361-K366 VanDerWaalsContact CA-O 3.31Å; E361-K366 WeakPolarHBondContact CA-O 3.17Å; E361-S367 WeakPolarHBondContact OE1-CA 3.31Å; E361-V368 HydrophobicContact CG-CG2 3.89Å; E361-V368 PolarHBondContact OE1-N 3.3Å; E361-V368 VanDerWaalsContact OE1-N 3.1Å
362R91.4Very high90.4Very high132 Ų13249 Ų4950%0.49827%0.267SS..Hα-helixtrans-68.6-39.4174.2-178.9175.352.8158.7-4.1112.9E358 I359 T364 D408E358-R362 VanDerWaalsContact O-CB 3.28Å; E358-R362 WeakPolarHBondContact O-CB 3.43Å; E358-R362 PolarHBondContact O-N 3.43Å; I359-R362 PolarHBondContact O-N 3.27Å; R362-T364 PolarHBondContact O-N 2.94Å; R362-D408 IonicContact CZ-OD1 3.7Å; R362-D408 IonicContact CZ-OD2 2.79Å; R362-D408 VanDerWaalsContact CZ-OD2 3.27Å; R362-D408 IonicContact NE-OD2 3.74Å; R362-D408 IonicContact NH1-OD1 3.66Å; R362-D408 IonicContact NH2-OD1 2.66Å; R362-D408 PolarHBondContact NH2-OD1 3.11Å; R362-D408 IonicContact NH2-OD2 3.49Å; R362-D408 PolarHBondContact NH2-OD2 2.91Å
363A91.4Very high90.1Very high0 Ų052.6 Ų52.60%028%0.282CS..Hα-helixtrans-65.4-26.2-179.200000112.8I323 I359 L360 L396 A397 Y400I323-A363 HydrophobicContact CD1-CB 3.81Å; I323-A363 HydrophobicContact CG1-CB 4.18Å; I323-A363 HydrophobicContact CG2-CB 4.11Å; I359-A363 WeakPolarHBondContact O-CB 3.34Å; I359-A363 PolarHBondContact O-N 2.67Å; L360-A363 PolarHBondContact O-N 2.92Å; A363-L396 WeakPolarHBondContact O-CA 3.34Å; A363-A397 PolarHBondContact O-N 3.15Å; A363-Y400 HydrophobicContact CB-CD1 3.96Å; A363-Y400 HydrophobicContact CB-CD2 4.3Å; A363-Y400 HydrophobicContact CB-CE1 3.56Å; A363-Y400 HydrophobicContact CB-CE2 3.97Å; A363-Y400 HydrophobicContact CB-CG 4.29Å
364T89.4Confident89.6Confident7 Ų750.6 Ų50.64%0.04328%0.28CS..Hα-helixtrans-114.8-19.1-172.7610000114.2I323 L360 R362 K366 L371 F394I323-T364 HydrophobicContact CG2-CG2 4.16Å; L360-T364 WeakPolarHBondContact O-CG2 3.31Å; L360-T364 PolarHBondContact O-N 3.08Å; L360-T364 PolarHBondContact O-OG1 3.15Å; R362-T364 PolarHBondContact O-N 2.94Å; T364-K366 PolarHBondContact O-N 3.36Å; T364-K366 PolarHBondContact OG1-N 3.39Å; T364-K366 PolarHBondContact OG1-O 3.16Å; T364-L371 HydrophobicContact CG2-CD1 3.98Å; T364-L371 HydrophobicContact CG2-CD2 3.89Å; T364-F394 HydrophobicContact CG2-CD1 4.4Å; T364-F394 HydrophobicContact CG2-CE1 3.31Å; T364-F394 HydrophobicContact CG2-CZ 3.55Å
365G89Confident88.9Confident62 Ų6251 Ų5164%0.63927%0.274SS*.SBendtrans69.412.9-171.900000113.6E361E361-G365 VanDerWaalsContact O-CA 3.29Å; E361-G365 WeakPolarHBondContact O-CA 3.45Å; E361-G365 PolarHBondContact O-N 3.36Å
366K88.7Confident88Confident93 Ų9352.1 Ų52.140%0.40428%0.283SS..SBendtrans-127.2147.1-177.7-66.9-176.1178.3-176.50110.2E361 T364 E370 L371E361-K366 VanDerWaalsContact CA-O 3.31Å; E361-K366 WeakPolarHBondContact CA-O 3.17Å; T364-K366 PolarHBondContact O-N 3.36Å; T364-K366 PolarHBondContact OG1-N 3.39Å; T364-K366 PolarHBondContact OG1-O 3.16Å; K366-E370 HydrophobicContact CB-CB 4.22Å; K366-L371 HydrophobicContact CB-CD2 3.85Å; K366-L371 HydrophobicContact CB-CG 4.15Å; K366-L371 HydrophobicContact CD-CD2 4.2Å
367S89.1Confident87.3Confident41 Ų4155.9 Ų55.929%0.28730%0.303SS..  trans-63.9151.8173.267.10000111.2E361 A369 E370 L371E361-S367 WeakPolarHBondContact OE1-CA 3.31Å; S367-A369 PolarHBondContact O-N 3.49Å; S367-A369 VanDerWaalsContact O-N 3.12Å; S367-E370 WeakPolarHBondContact CB-OE2 3.45Å; S367-E370 PolarHBondContact N-OE2 3.03Å; S367-E370 WeakPolarHBondContact O-CB 3.49Å; S367-E370 PolarHBondContact O-N 2.89Å; S367-E370 VanDerWaalsContact OG-CD 3.31Å; S367-E370 VanDerWaalsContact OG-CG 3.24Å; S367-E370 WeakPolarHBondContact OG-CG 3.33Å; S367-E370 PolarHBondContact OG-N 2.96Å; S367-E370 PolarHBondContact OG-OE2 3.21Å; S367-L371 WeakPolarHBondContact O-CG 3.15Å; S367-L371 PolarHBondContact O-N 3.21Å
368V87.6Confident86Confident8 Ų853.6 Ų53.65%0.04830%0.295CS..Hα-helixtrans-58.8-28.8177.3175.40000112.4L327 Y330 K357 L360 E361 L371 N372L327-V368 HydrophobicContact CD1-CG1 4.03Å; Y330-V368 HydrophobicContact CD1-CG1 4.05Å; Y330-V368 HydrophobicContact CE1-CG1 3.77Å; K357-V368 HydrophobicContact CG-CB 4.5Å; K357-V368 HydrophobicContact CG-CG2 3.67Å; L360-V368 HydrophobicContact CB-CG2 4.12Å; L360-V368 HydrophobicContact CD1-CG2 4.28Å; E361-V368 HydrophobicContact CG-CG2 3.89Å; E361-V368 PolarHBondContact OE1-N 3.3Å; E361-V368 VanDerWaalsContact OE1-N 3.1Å; V368-L371 PolarHBondContact O-N 3.36Å; V368-N372 WeakPolarHBondContact O-CB 3.38Å; V368-N372 PolarHBondContact O-N 3.09Å; V368-N372 PolarHBondContact O-ND2 3.38Å; V368-N372 PolarHBondContact O-OD1 3.38Å
369A87.7Confident84.6Confident72 Ų7250.1 Ų50.160%0.59529%0.287SS*.Hα-helixtrans-64.7-45.3173.800000112.1S367 L371 N372 Q373S367-A369 PolarHBondContact O-N 3.49Å; S367-A369 VanDerWaalsContact O-N 3.12Å; A369-L371 VanDerWaalsContact C-N 3.34Å; A369-N372 PolarHBondContact O-N 3.48Å; A369-Q373 WeakPolarHBondContact O-CB 3.37Å; A369-Q373 PolarHBondContact O-N 3.28Å
370E87.6Confident83.1Confident99 Ų9956.1 Ų56.146%0.46332%0.318SS..Hα-helixtrans-65.7-36.8175.7-70.8164.9135.800111.9K366 S367 Q373 A374K366-E370 HydrophobicContact CB-CB 4.22Å; S367-E370 WeakPolarHBondContact CB-OE2 3.45Å; S367-E370 PolarHBondContact N-OE2 3.03Å; S367-E370 WeakPolarHBondContact O-CB 3.49Å; S367-E370 PolarHBondContact O-N 2.89Å; S367-E370 VanDerWaalsContact OG-CD 3.31Å; S367-E370 VanDerWaalsContact OG-CG 3.24Å; S367-E370 WeakPolarHBondContact OG-CG 3.33Å; S367-E370 PolarHBondContact OG-N 2.96Å; S367-E370 PolarHBondContact OG-OE2 3.21Å; E370-Q373 PolarHBondContact O-N 2.91Å; E370-A374 WeakPolarHBondContact O-CB 3.18Å; E370-A374 PolarHBondContact O-N 2.64Å
371L85.9Confident81.6Confident6 Ų663.2 Ų63.23%0.03135%0.351CS..Hα-helixtrans-64.1-44.5175.3-65.4178.3000111.9L327 T364 K366 S367 V368 A369 Q373 A374 Q375 F394L327-L371 HydrophobicContact CD1-CB 4.13Å; L327-L371 HydrophobicContact CD1-CD1 4.17Å; L327-L371 HydrophobicContact CD2-CB 3.8Å; L327-L371 HydrophobicContact CD2-CD1 4.47Å; T364-L371 HydrophobicContact CG2-CD1 3.98Å; T364-L371 HydrophobicContact CG2-CD2 3.89Å; K366-L371 HydrophobicContact CB-CD2 3.85Å; K366-L371 HydrophobicContact CB-CG 4.15Å; K366-L371 HydrophobicContact CD-CD2 4.2Å; S367-L371 WeakPolarHBondContact O-CG 3.15Å; S367-L371 PolarHBondContact O-N 3.21Å; V368-L371 PolarHBondContact O-N 3.36Å; A369-L371 VanDerWaalsContact C-N 3.34Å; L371-Q373 VanDerWaalsContact C-N 3.33Å; L371-Q373 PolarHBondContact O-N 2.96Å; L371-A374 PolarHBondContact O-N 2.91Å; L371-Q375 WeakPolarHBondContact O-CB 3.44Å; L371-Q375 PolarHBondContact O-N 3.14Å; L371-F394 HydrophobicContact CD1-CZ 4.18Å; L371-F394 HydrophobicContact CD2-CE2 3.88Å; L371-F394 HydrophobicContact CD2-CZ 3.72Å; L371-F394 HydrophobicContact CG-CZ 4.44Å
372N85.7Confident79.9Confident52 Ų5264.4 Ų64.428%0.27836%0.359SS..Hα-helixtrans-65-38.5177.4-71.7-10.8000111.6N331 V368 A369 Q375 S376N331-N372 PolarHBondContact ND2-OD1 2.96Å; N331-N372 PolarHBondContact OD1-ND2 3.23Å; N331-N372 VanDerWaalsContact OD1-ND2 3.17Å; V368-N372 WeakPolarHBondContact O-CB 3.38Å; V368-N372 PolarHBondContact O-N 3.09Å; V368-N372 PolarHBondContact O-ND2 3.38Å; V368-N372 PolarHBondContact O-OD1 3.38Å; A369-N372 PolarHBondContact O-N 3.48Å; N372-Q375 PolarHBondContact O-N 2.95Å; N372-S376 PolarHBondContact O-N 3.13Å; N372-S376 PolarHBondContact O-OG 2.9Å
373Q84.5Confident78Confident120 Ų12063.8 Ų63.856%0.56137%0.372SS*.Hα-helixtrans-66.7-41.1174.8-170.4178.56.500111.9A369 E370 L371 Q375 S376 N377A369-Q373 WeakPolarHBondContact O-CB 3.37Å; A369-Q373 PolarHBondContact O-N 3.28Å; E370-Q373 PolarHBondContact O-N 2.91Å; L371-Q373 VanDerWaalsContact C-N 3.33Å; L371-Q373 PolarHBondContact O-N 2.96Å; Q373-Q375 VanDerWaalsContact C-N 3.31Å; Q373-Q375 PolarHBondContact O-N 3.24Å; Q373-S376 WeakPolarHBondContact CA-OG 3.45Å; Q373-S376 PolarHBondContact O-N 3Å; Q373-S376 PolarHBondContact O-OG 3.48Å; Q373-N377 WeakPolarHBondContact O-CB 3.28Å; Q373-N377 PolarHBondContact O-N 2.8Å; Q373-N377 PolarHBondContact O-OD1 3.18Å
374A80.4Confident75.9Confident33 Ų3372.6 Ų72.627%0.27341%0.413SS..Hα-helixtrans-62.4-41.2174.800000111.3E370 L371 N377 L378E370-A374 WeakPolarHBondContact O-CB 3.18Å; E370-A374 PolarHBondContact O-N 2.64Å; L371-A374 PolarHBondContact O-N 2.91Å; A374-N377 PolarHBondContact O-N 3.39Å; A374-L378 WeakPolarHBondContact O-CB 3.24Å; A374-L378 WeakPolarHBondContact O-CD1 3.49Å; A374-L378 VanDerWaalsContact O-CG 3.27Å; A374-L378 WeakPolarHBondContact O-CG 3.5Å; A374-L378 PolarHBondContact O-N 3.49Å
375Q76.9Confident74.3Confident52 Ų5273.8 Ų73.824%0.24342%0.419CS..Hα-helixtrans-63.5-43.8175.5-173.1-178.61.200111.9F324 L371 N372 Q373 L378 A379F324-Q375 HydrophobicContact CE2-CG 4.41Å; L371-Q375 WeakPolarHBondContact O-CB 3.44Å; L371-Q375 PolarHBondContact O-N 3.14Å; N372-Q375 PolarHBondContact O-N 2.95Å; Q373-Q375 VanDerWaalsContact C-N 3.31Å; Q373-Q375 PolarHBondContact O-N 3.24Å; Q375-L378 PolarHBondContact O-N 3.46Å; Q375-A379 WeakPolarHBondContact O-CB 3.48Å; Q375-A379 PolarHBondContact O-N 3.29Å
376S75.2Confident72.8Confident53 Ų5374.8 Ų74.837%0.37141%0.41SS..Hα-helixtrans-65.4-40.5177.659.70000112.2N372 Q373 A379 I380N372-S376 PolarHBondContact O-N 3.13Å; N372-S376 PolarHBondContact O-OG 2.9Å; Q373-S376 WeakPolarHBondContact CA-OG 3.45Å; Q373-S376 PolarHBondContact O-N 3Å; Q373-S376 PolarHBondContact O-OG 3.48Å; S376-A379 PolarHBondContact O-N 2.89Å; S376-I380 WeakPolarHBondContact O-CD1 3.4Å; S376-I380 VanDerWaalsContact O-CG1 3.23Å; S376-I380 WeakPolarHBondContact O-CG1 3.35Å; S376-I380 PolarHBondContact O-N 3.42Å
377N76.2Confident71.5Confident78 Ų7876.3 Ų76.342%0.41742%0.419SS..Hα-helixtrans-63.6-43.5178-68.4-4.6000111.1Q373 A374 A379 I380 E381Q373-N377 WeakPolarHBondContact O-CB 3.28Å; Q373-N377 PolarHBondContact O-N 2.8Å; Q373-N377 PolarHBondContact O-OD1 3.18Å; A374-N377 PolarHBondContact O-N 3.39Å; N377-A379 VanDerWaalsContact C-N 3.34Å; N377-A379 PolarHBondContact O-N 2.92Å; N377-I380 PolarHBondContact O-N 3.45Å; N377-E381 WeakPolarHBondContact O-CG 3.42Å; N377-E381 PolarHBondContact O-N 3.11Å
378L67.5Low70.1Confident35 Ų3577.5 Ų77.518%0.18342%0.419CS..Hα-helixtrans-64.5-36176.9-74166.7000113A374 Q375 L390 K393A374-L378 WeakPolarHBondContact O-CB 3.24Å; A374-L378 WeakPolarHBondContact O-CD1 3.49Å; A374-L378 VanDerWaalsContact O-CG 3.27Å; A374-L378 WeakPolarHBondContact O-CG 3.5Å; A374-L378 PolarHBondContact O-N 3.49Å; Q375-L378 PolarHBondContact O-N 3.46Å; L378-L390 HydrophobicContact CB-CD2 3.57Å; L378-L390 HydrophobicContact CD1-CD2 4.38Å; L378-K393 HydrophobicContact CD1-CB 4.35Å; L378-K393 HydrophobicContact CD2-CB 4.48Å; L378-K393 HydrophobicContact CD2-CD 3.59Å
379A63.3Low68.9Low51 Ų5179 Ų7942%0.42143%0.432SS..Hα-helixtrans-71.4-32.9176.500000112.7Q375 S376 N377Q375-A379 WeakPolarHBondContact O-CB 3.48Å; Q375-A379 PolarHBondContact O-N 3.29Å; S376-A379 PolarHBondContact O-N 2.89Å; N377-A379 VanDerWaalsContact C-N 3.34Å; N377-A379 PolarHBondContact O-N 2.92Å
380I61.9Low67.9Low129 Ų12976.7 Ų76.766%0.66241%0.409SS*.Hα-helixtrans-73-43.6177.2-68.5163.4000111.1S376 N377 N382S376-I380 WeakPolarHBondContact O-CD1 3.4Å; S376-I380 VanDerWaalsContact O-CG1 3.23Å; S376-I380 WeakPolarHBondContact O-CG1 3.35Å; S376-I380 PolarHBondContact O-N 3.42Å; N377-I380 PolarHBondContact O-N 3.45Å; I380-N382 PolarHBondContact O-N 3.46Å
381E60.7Low67Low150 Ų15072.1 Ų72.170%0.70139%0.389SS*.Hα-helixtrans-63.3-26.7-178-78.5179.817900112.7N377N377-E381 WeakPolarHBondContact O-CG 3.42Å; N377-E381 PolarHBondContact O-N 3.11Å
382N57.4Low66.1Low79 Ų7976.9 Ų76.942%0.42241%0.411SS..  trans-155.886.9-175.7-150.9-17000112.1I380 Q384 I385I380-N382 PolarHBondContact O-N 3.46Å; N382-Q384 PolarHBondContact O-N 3.16Å; N382-I385 HydrophobicContact CB-CB 4.43Å; N382-I385 HydrophobicContact CB-CD1 3.35Å; N382-I385 HydrophobicContact CB-CG1 3.48Å; N382-I385 VanDerWaalsContact CB-CG1 3.48Å; N382-I385 VanDerWaalsContact CG-CG1 3.41Å; N382-I385 WeakPolarHBondContact ND2-CD1 3.3Å; N382-I385 WeakPolarHBondContact ND2-CG1 3.27Å; N382-I385 PolarHBondContact O-N 3.47Å; N382-I385 VanDerWaalsContact O-N 3.07Å
383P51Low65.4Low119 Ų11979.5 Ų79.577%0.77342%0.42SS*.THydrogen-bonded Turntrans-62.2-16.3-174-22.732.5000115
384Q48.1Very low65Low185 Ų18574.6 Ų74.686%0.86440%0.396SS*.THydrogen-bonded Turntrans-101.74.9-179.7-64.8-169.5-10.200113.5N382 D386N382-Q384 PolarHBondContact O-N 3.16Å; Q384-D386 PolarHBondContact O-N 3.37Å
385I56.8Low65Low33 Ų3377.6 Ų77.617%0.16941%0.411CS..  trans-66.4121.4176.7-75.1-179.6000109.7N382 A389 L390N382-I385 HydrophobicContact CB-CB 4.43Å; N382-I385 HydrophobicContact CB-CD1 3.35Å; N382-I385 HydrophobicContact CB-CG1 3.48Å; N382-I385 VanDerWaalsContact CB-CG1 3.48Å; N382-I385 VanDerWaalsContact CG-CG1 3.41Å; N382-I385 WeakPolarHBondContact ND2-CD1 3.3Å; N382-I385 WeakPolarHBondContact ND2-CG1 3.27Å; N382-I385 PolarHBondContact O-N 3.47Å; N382-I385 VanDerWaalsContact O-N 3.07Å; I385-A389 HydrophobicContact CG2-CB 3.66Å; I385-L390 HydrophobicContact CB-CG 4.38Å; I385-L390 HydrophobicContact CG2-CB 4.35Å; I385-L390 HydrophobicContact CG2-CD1 4.17Å; I385-L390 HydrophobicContact CG2-CG 3.64Å
386D57.2Low65.5Low83 Ų8375.9 Ų75.944%0.44440%0.404SS..  trans-52.7137.7168-177.2-2000110.9Q384 F388 A389 L390Q384-D386 PolarHBondContact O-N 3.37Å; D386-F388 PolarHBondContact O-N 3.3Å; D386-F388 VanDerWaalsContact OD1-CD2 3.29Å; D386-F388 WeakPolarHBondContact OD1-CD2 3.5Å; D386-F388 PolarHBondContact OD1-N 2.89Å; D386-F388 WeakPolarHBondContact OD2-CD2 3.3Å; D386-A389 PolarHBondContact O-N 2.99Å; D386-L390 PolarHBondContact O-N 3.42Å
387Q61.5Low66.2Low125 Ų12574.1 Ų74.158%0.58439%0.392SS*.Hα-helixtrans-52.2-30.5177.3-65.5-172.24.100112.4L390 A391Q387-L390 PolarHBondContact O-N 2.94Å; Q387-A391 PolarHBondContact O-N 3.33Å
388F59.6Low66.5Low66 Ų6681 Ų8129%0.28942%0.418SS..Hα-helixtrans-61.7-45.5173.1-70.5-68.9000112.7I309 D386 A391 E392 K432I309-F388 HydrophobicContact CD1-CD2 4.22Å; I309-F388 HydrophobicContact CD1-CE2 4.16Å; D386-F388 PolarHBondContact O-N 3.3Å; D386-F388 VanDerWaalsContact OD1-CD2 3.29Å; D386-F388 WeakPolarHBondContact OD1-CD2 3.5Å; D386-F388 PolarHBondContact OD1-N 2.89Å; D386-F388 WeakPolarHBondContact OD2-CD2 3.3Å; F388-A391 PolarHBondContact O-N 3.01Å; F388-E392 PolarHBondContact O-N 3.06Å; F388-K432 HydrophobicContact CD1-CB 4.02Å; F388-K432 HydrophobicContact CE1-CB 3.58Å; F388-K432 HydrophobicContact CE1-CD 3.84Å; F388-K432 HydrophobicContact CE1-CG 4.16Å; F388-K432 HydrophobicContact CE2-CD 4.39Å; F388-K432 HydrophobicContact CZ-CB 4.25Å; F388-K432 HydrophobicContact CZ-CD 3.6Å; F388-K432 HydrophobicContact CZ-CG 4.42Å
389A61.8Low67.3Low39 Ų3985.5 Ų85.532%0.32244%0.443SS..Hα-helixtrans-73.7-27.8178.500000112.5I385 D386I385-A389 HydrophobicContact CG2-CB 3.66Å; D386-A389 PolarHBondContact O-N 2.99Å
390L66.8Low68.6Low23 Ų2383.8 Ų83.812%0.1243%0.426CS..Hα-helixtrans-63.6-42.7168.3-86154.5000111.6F324 L378 I385 D386 Q387 K393F324-L390 HydrophobicContact CE1-CB 4.29Å; F324-L390 HydrophobicContact CZ-CB 3.92Å; L378-L390 HydrophobicContact CB-CD2 3.57Å; L378-L390 HydrophobicContact CD1-CD2 4.38Å; I385-L390 HydrophobicContact CB-CG 4.38Å; I385-L390 HydrophobicContact CG2-CB 4.35Å; I385-L390 HydrophobicContact CG2-CD1 4.17Å; I385-L390 HydrophobicContact CG2-CG 3.64Å; D386-L390 PolarHBondContact O-N 3.42Å; Q387-L390 PolarHBondContact O-N 2.94Å; L390-K393 PolarHBondContact O-N 2.9Å
391A68.1Low70Confident4 Ų481.5 Ų81.53%0.03342%0.418CS..Hα-helixtrans-66.9-35.7-18000000112.9Q321 F324 Q387 F388 K393 F394Q321-A391 HydrophobicContact CG-CB 3.85Å; F324-A391 HydrophobicContact CB-CB 4.16Å; F324-A391 HydrophobicContact CD1-CB 3.63Å; F324-A391 HydrophobicContact CE1-CB 4.22Å; F324-A391 HydrophobicContact CG-CB 4.01Å; Q387-A391 PolarHBondContact O-N 3.33Å; F388-A391 PolarHBondContact O-N 3.01Å; A391-K393 VanDerWaalsContact C-N 3.27Å; A391-K393 PolarHBondContact O-N 3.43Å; A391-F394 WeakPolarHBondContact O-CB 3.43Å; A391-F394 PolarHBondContact O-N 3.5Å; A391-F394 VanDerWaalsContact O-N 3.07Å
392E68.2Low71.4Confident105 Ų10576 Ų7649%0.49139%0.391SS..Hα-helixtrans-64.6-30.5177.1-75.7-175.6171.900113.1Q320 F388 F394Q320-E392 PolarHBondContact NE2-O 3.33Å; F388-E392 PolarHBondContact O-N 3.06Å; E392-F394 PolarHBondContact O-N 2.93Å
393K71Confident73Confident108 Ų10876.5 Ų76.547%0.4740%0.399SS..THydrogen-bonded Turntrans-76.2-8174.7-68.3-176.1177.8-175.70113.3L378 L390 A391 V395L378-K393 HydrophobicContact CD1-CB 4.35Å; L378-K393 HydrophobicContact CD2-CB 4.48Å; L378-K393 HydrophobicContact CD2-CD 3.59Å; L390-K393 PolarHBondContact O-N 2.9Å; A391-K393 VanDerWaalsContact C-N 3.27Å; A391-K393 PolarHBondContact O-N 3.43Å; K393-V395 PolarHBondContact O-N 2.91Å
394F76Confident75Confident16 Ų1672.2 Ų72.27%0.0737%0.373CS..  trans-76.5113.9-178.4-161.8-98.7000110.8Q320 I323 F324 L327 T364 L371 A391 E392Q320-F394 PolarHBondContact NE2-O 3.44Å; I323-F394 HydrophobicContact CB-CE1 4.39Å; I323-F394 HydrophobicContact CG2-CD1 4.43Å; I323-F394 HydrophobicContact CG2-CE1 3.6Å; I323-F394 HydrophobicContact CG2-CZ 4.33Å; F324-F394 HydrophobicContact CB-CG 4.33Å; F324-F394 HydrophobicContact CD2-CB 4.37Å; F324-F394 AromaticContact CD2-CD2 3.7Å; F324-F394 HydrophobicContact CD2-CD2 3.7Å; F324-F394 HydrophobicContact CD2-CE2 4.17Å; F324-F394 HydrophobicContact CD2-CG 4.11Å; F324-F394 HydrophobicContact CE2-CD2 4.41Å; L327-F394 HydrophobicContact CD2-CE2 3.73Å; L327-F394 HydrophobicContact CD2-CZ 4.06Å; T364-F394 HydrophobicContact CG2-CD1 4.4Å; T364-F394 HydrophobicContact CG2-CE1 3.31Å; T364-F394 HydrophobicContact CG2-CZ 3.55Å; L371-F394 HydrophobicContact CD1-CZ 4.18Å; L371-F394 HydrophobicContact CD2-CE2 3.88Å; L371-F394 HydrophobicContact CD2-CZ 3.72Å; L371-F394 HydrophobicContact CG-CZ 4.44Å; A391-F394 WeakPolarHBondContact O-CB 3.43Å; A391-F394 PolarHBondContact O-N 3.5Å; A391-F394 VanDerWaalsContact O-N 3.07Å; E392-F394 PolarHBondContact O-N 2.93Å
395V80.5Confident77.2Confident97 Ų9763.4 Ų63.459%0.58833%0.332SS*.PPolyproline II helixtrans-86.6124.1-174.1-176.60000110.5K393K393-V395 PolarHBondContact O-N 2.91Å
396L86.7Confident78.8Confident15 Ų1563.4 Ų63.48%0.07933%0.331CS..PPolyproline II helixtrans-84154170.3-63.8170.1000110.8Q319 Q320 I323 A363 Y400Q319-L396 HydrophobicContact CB-CD1 3.42Å; Q319-L396 VanDerWaalsContact CB-CD1 3.42Å; Q320-L396 HydrophobicContact CB-CD1 4.5Å; Q320-L396 HydrophobicContact CG-CD1 3.62Å; Q320-L396 HydrophobicContact CG-CG 3.85Å; I323-L396 HydrophobicContact CB-CD2 4.24Å; I323-L396 HydrophobicContact CG1-CD2 4.08Å; I323-L396 HydrophobicContact CG2-CD2 4.4Å; A363-L396 WeakPolarHBondContact O-CA 3.34Å; L396-Y400 HydrophobicContact CD2-CD1 4.22Å
397A88.9Confident80.5Confident16 Ų1666.8 Ų66.813%0.13234%0.342CS..PPolyproline II helixtrans-63.7140.8172.600000110.5A363 D399 Y400A363-A397 PolarHBondContact O-N 3.15Å; A397-D399 WeakPolarHBondContact CB-OD1 3.1Å; A397-D399 PolarHBondContact O-N 3.14Å; A397-D399 VanDerWaalsContact O-N 3.12Å; A397-Y400 WeakPolarHBondContact O-CB 3.31Å; A397-Y400 PolarHBondContact O-N 3.42Å
398K82.6Confident82.1Confident222 Ų22261 Ų6197%0.96532%0.315SS*.THydrogen-bonded Turntrans-60.2-26.4-174.7-71-173.1178.3-179.50113.5
399D85Confident83.8Confident130 Ų13058 Ų5870%0.69530%0.301SS*.THydrogen-bonded Turntrans-94-0.7-179.860-38.5000113.5A397 T401A397-D399 WeakPolarHBondContact CB-OD1 3.1Å; A397-D399 PolarHBondContact O-N 3.14Å; A397-D399 VanDerWaalsContact O-N 3.12Å; D399-T401 PolarHBondContact O-N 3.45Å
400Y90.2Very high85.3Confident16 Ų1662.8 Ų62.86%0.06331%0.311CS..  trans-81.182.9-178.8-167.1-120.3000112.7Q319 I323 A363 L396 A397 A404 F405 D408Q319-Y400 PolarHBondContact NE2-O 3.24Å; I323-Y400 HydrophobicContact CD1-CE1 4.21Å; I323-Y400 HydrophobicContact CG1-CE1 4.28Å; A363-Y400 HydrophobicContact CB-CD1 3.96Å; A363-Y400 HydrophobicContact CB-CD2 4.3Å; A363-Y400 HydrophobicContact CB-CE1 3.56Å; A363-Y400 HydrophobicContact CB-CE2 3.97Å; A363-Y400 HydrophobicContact CB-CG 4.29Å; L396-Y400 HydrophobicContact CD2-CD1 4.22Å; A397-Y400 WeakPolarHBondContact O-CB 3.31Å; A397-Y400 PolarHBondContact O-N 3.42Å; Y400-A404 HydrophobicContact CD2-CB 4.33Å; Y400-A404 HydrophobicContact CE2-CB 4.24Å; Y400-F405 HydrophobicContact CE1-CB 3.74Å; Y400-F405 HydrophobicContact CE1-CD2 4.11Å; Y400-F405 HydrophobicContact CE1-CG 4.41Å; Y400-F405 WeakPolarHBondContact OH-CA 3.48Å; Y400-D408 WeakPolarHBondContact CE2-OD2 3.24Å; Y400-D408 PolarHBondContact OH-OD2 3.45Å
401T91.2Very high86.5Confident81 Ų8166.2 Ų66.250%0.49733%0.325SS..  trans-68.3151.3-178.468.70000113.3D399 A404 F405D399-T401 PolarHBondContact O-N 3.45Å; T401-A404 WeakPolarHBondContact O-CA 3.45Å; T401-A404 WeakPolarHBondContact O-CB 3.44Å; T401-A404 PolarHBondContact O-N 3.28Å; T401-A404 PolarHBondContact OG1-N 2.75Å; T401-F405 PolarHBondContact O-N 3.47Å
402Y89.9Confident87.7Confident33 Ų3366 Ų6613%0.12932%0.324CS..Hα-helixtrans-56.5-38.1177-168.1-92.2000114.4K315 I318 Q319 A404 F405 E406K315-Y402 HydrophobicContact CB-CD2 3.44Å; K315-Y402 VanDerWaalsContact CB-CD2 3.44Å; K315-Y402 HydrophobicContact CB-CE2 3.74Å; K315-Y402 HydrophobicContact CB-CG 4.04Å; K315-Y402 HydrophobicContact CD-CD1 3.97Å; K315-Y402 HydrophobicContact CD-CD2 4.03Å; K315-Y402 HydrophobicContact CD-CE1 4.33Å; K315-Y402 HydrophobicContact CD-CE2 4.39Å; K315-Y402 HydrophobicContact CD-CG 3.81Å; K315-Y402 HydrophobicContact CG-CD1 4.33Å; K315-Y402 HydrophobicContact CG-CD2 3.71Å; K315-Y402 HydrophobicContact CG-CE1 4.35Å; K315-Y402 HydrophobicContact CG-CE2 3.73Å; K315-Y402 HydrophobicContact CG-CG 4.02Å; I318-Y402 HydrophobicContact CB-CE2 4.45Å; I318-Y402 HydrophobicContact CG2-CE2 4.2Å; Q319-Y402 HydrophobicContact CG-CD2 3.68Å; Q319-Y402 HydrophobicContact CG-CE2 4.19Å; Y402-A404 VanDerWaalsContact C-N 3.34Å; Y402-A404 PolarHBondContact O-N 3.35Å; Y402-F405 HydrophobicContact CD2-CD1 4.09Å; Y402-F405 AromaticContact CE2-CD1 3.94Å; Y402-F405 HydrophobicContact CE2-CD1 3.94Å; Y402-F405 HydrophobicContact CE2-CE1 4.08Å; Y402-F405 WeakPolarHBondContact O-CB 3.44Å; Y402-F405 PolarHBondContact O-N 2.9Å; Y402-E406 HydrophobicContact CD1-CG 4.04Å; Y402-E406 HydrophobicContact CE1-CG 3.64Å; Y402-E406 WeakPolarHBondContact CE1-OE1 3.31Å; Y402-E406 PolarHBondContact O-N 3.23Å
403P91.6Very high88.8Confident91 Ų9163.4 Ų63.459%0.59131%0.312SS*.Hα-helixtrans-62.6-36.5172-24.936.1000113.9E406 K407P403-E406 PolarHBondContact O-N 3.25Å; P403-K407 PolarHBondContact O-N 2.76Å; P403-K407 VanDerWaalsContact O-N 3.12Å
404A92.5Very high89.8Confident28 Ų2865.9 Ų65.923%0.23133%0.325CS..Hα-helixtrans-65.2-42.3173.500000110.6Y400 T401 Y402 K407 D408Y400-A404 HydrophobicContact CD2-CB 4.33Å; Y400-A404 HydrophobicContact CE2-CB 4.24Å; T401-A404 WeakPolarHBondContact O-CA 3.45Å; T401-A404 WeakPolarHBondContact O-CB 3.44Å; T401-A404 PolarHBondContact O-N 3.28Å; T401-A404 PolarHBondContact OG1-N 2.75Å; Y402-A404 VanDerWaalsContact C-N 3.34Å; Y402-A404 PolarHBondContact O-N 3.35Å; A404-K407 WeakPolarHBondContact O-CB 3.34Å; A404-K407 PolarHBondContact O-N 3.34Å; A404-D408 WeakPolarHBondContact O-CB 3.47Å; A404-D408 VanDerWaalsContact O-CG 3.25Å; A404-D408 PolarHBondContact O-N 2.87Å
405F93.9Very high90.5Very high0 Ų067 Ų670%033%0.331CS..Hα-helixtrans-58.1-48.4172.9164.6-100.8000113.5I318 Q319 T322 I323 Y400 T401 Y402 K407 D408 M409 Y427I318-F405 HydrophobicContact CG2-CE1 4.03Å; I318-F405 HydrophobicContact CG2-CZ 4.21Å; Q319-F405 HydrophobicContact CB-CD2 4.31Å; Q319-F405 HydrophobicContact CB-CG 4.4Å; Q319-F405 HydrophobicContact CG-CB 3.88Å; Q319-F405 HydrophobicContact CG-CD1 3.73Å; Q319-F405 HydrophobicContact CG-CD2 3.98Å; Q319-F405 HydrophobicContact CG-CE1 4.23Å; Q319-F405 HydrophobicContact CG-CE2 4.45Å; Q319-F405 HydrophobicContact CG-CG 3.59Å; T322-F405 HydrophobicContact CG2-CE2 3.85Å; T322-F405 HydrophobicContact CG2-CZ 3.8Å; I323-F405 HydrophobicContact CD1-CD2 4.15Å; I323-F405 HydrophobicContact CD1-CE2 4.29Å; I323-F405 HydrophobicContact CG1-CD2 4.27Å; I323-F405 HydrophobicContact CG1-CE2 4.29Å; Y400-F405 HydrophobicContact CE1-CB 3.74Å; Y400-F405 HydrophobicContact CE1-CD2 4.11Å; Y400-F405 HydrophobicContact CE1-CG 4.41Å; Y400-F405 WeakPolarHBondContact OH-CA 3.48Å; T401-F405 PolarHBondContact O-N 3.47Å; Y402-F405 HydrophobicContact CD2-CD1 4.09Å; Y402-F405 AromaticContact CE2-CD1 3.94Å; Y402-F405 HydrophobicContact CE2-CD1 3.94Å; Y402-F405 HydrophobicContact CE2-CE1 4.08Å; Y402-F405 WeakPolarHBondContact O-CB 3.44Å; Y402-F405 PolarHBondContact O-N 2.9Å; F405-K407 VanDerWaalsContact C-N 3.27Å; F405-K407 PolarHBondContact O-N 3.43Å; F405-D408 PolarHBondContact O-N 3.38Å; F405-M409 HydrophobicContact CD2-CE 4.25Å; F405-M409 HydrophobicContact CD2-CG 3.79Å; F405-M409 HydrophobicContact CD2-SD 4.44Å; F405-M409 HydrophobicContact CE1-CG 4.16Å; F405-M409 HydrophobicContact CE2-CE 4.17Å; F405-M409 HydrophobicContact CE2-CG 3.32Å; F405-M409 HydrophobicContact CE2-SD 3.82Å; F405-M409 HydrophobicContact CG-CG 4.38Å; F405-M409 HydrophobicContact CZ-CG 3.54Å; F405-M409 HydrophobicContact CZ-SD 4.4Å; F405-M409 WeakPolarHBondContact O-CG 3.07Å; F405-M409 PolarHBondContact O-N 2.98Å; F405-Y427 HydrophobicContact CE1-CD2 4.36Å; F405-Y427 AromaticContact CE1-CE2 3.79Å; F405-Y427 HydrophobicContact CE1-CE2 3.79Å; F405-Y427 AromaticContact CE1-CZ 3.96Å; F405-Y427 HydrophobicContact CZ-CD2 4.27Å; F405-Y427 HydrophobicContact CZ-CE2 4.11Å
406E91.6Very high90.8Very high34 Ų3462.7 Ų62.716%0.15931%0.305CS..Hα-helixtrans-62-37.6178.1-73.5-159.2148.600111.9Y402 P403 D408 R410 K424Y402-E406 HydrophobicContact CD1-CG 4.04Å; Y402-E406 HydrophobicContact CE1-CG 3.64Å; Y402-E406 WeakPolarHBondContact CE1-OE1 3.31Å; Y402-E406 PolarHBondContact O-N 3.23Å; P403-E406 PolarHBondContact O-N 3.25Å; E406-D408 VanDerWaalsContact C-N 3.34Å; E406-R410 VanDerWaalsContact O-CG 3.3Å; E406-R410 WeakPolarHBondContact O-CG 3.19Å; E406-R410 PolarHBondContact O-N 3.08Å; E406-R410 VanDerWaalsContact O-N 3.12Å; E406-R410 IonicContact OE2-NH2 3.79Å; E406-K424 WeakPolarHBondContact OE1-CE 3.37Å; E406-K424 IonicContact OE1-NZ 2.63Å; E406-K424 PolarHBondContact OE1-NZ 3.38Å; E406-K424 IonicContact OE2-NZ 3.67Å
407K93.7Very high90.6Very high154 Ų15463.2 Ų63.267%0.6731%0.314SS*.Hα-helixtrans-63.7-42.6175.7-173.6-177.1-179.9-178.80111P403 A404 F405 K411P403-K407 PolarHBondContact O-N 2.76Å; P403-K407 VanDerWaalsContact O-N 3.12Å; A404-K407 WeakPolarHBondContact O-CB 3.34Å; A404-K407 PolarHBondContact O-N 3.34Å; F405-K407 VanDerWaalsContact C-N 3.27Å; F405-K407 PolarHBondContact O-N 3.43Å; K407-K411 PolarHBondContact O-N 3.46Å; K407-K411 VanDerWaalsContact O-N 3.14Å
408D95.2Very high90.2Very high4 Ų471.2 Ų71.22%0.02135%0.346CS..Hα-helixtrans-68.8-42.9-179.7-73.3-0.5000111.9I359 R362 Y400 A404 F405 E406 R410 K411 V412I359-D408 HydrophobicContact CD1-CB 4.41Å; I359-D408 HydrophobicContact CG1-CB 4.47Å; I359-D408 HydrophobicContact CG2-CB 3.83Å; R362-D408 IonicContact CZ-OD1 3.7Å; R362-D408 IonicContact CZ-OD2 2.79Å; R362-D408 VanDerWaalsContact CZ-OD2 3.27Å; R362-D408 IonicContact NE-OD2 3.74Å; R362-D408 IonicContact NH1-OD1 3.66Å; R362-D408 IonicContact NH2-OD1 2.66Å; R362-D408 PolarHBondContact NH2-OD1 3.11Å; R362-D408 IonicContact NH2-OD2 3.49Å; R362-D408 PolarHBondContact NH2-OD2 2.91Å; Y400-D408 WeakPolarHBondContact CE2-OD2 3.24Å; Y400-D408 PolarHBondContact OH-OD2 3.45Å; A404-D408 WeakPolarHBondContact O-CB 3.47Å; A404-D408 VanDerWaalsContact O-CG 3.25Å; A404-D408 PolarHBondContact O-N 2.87Å; F405-D408 PolarHBondContact O-N 3.38Å; E406-D408 VanDerWaalsContact C-N 3.34Å; D408-R410 VanDerWaalsContact C-N 3.33Å; D408-R410 PolarHBondContact O-N 2.51Å; D408-K411 CarbonylContact O-C 3.52Å; D408-K411 WeakPolarHBondContact O-CB 3.49Å; D408-K411 PolarHBondContact O-N 3.35Å; D408-K411 VanDerWaalsContact O-N 3.11Å; D408-V412 WeakPolarHBondContact O-CG2 3.38Å; D408-V412 PolarHBondContact O-N 3.03Å
409M94.3Very high89.7Confident1 Ų161.7 Ų61.71%0.00531%0.311CS..Hα-helixtrans-66.8-34.1178.1-68.1-51.599.200112.3T322 I323 L326 I359 F405 K411 V412 E413 F422 Y427T322-M409 HydrophobicContact CG2-CG 4.24Å; T322-M409 HydrophobicContact CG2-SD 3.66Å; I323-M409 HydrophobicContact CD1-CE 3.67Å; L326-M409 HydrophobicContact CD2-CE 4.05Å; I359-M409 HydrophobicContact CG2-CE 4.24Å; F405-M409 HydrophobicContact CD2-CE 4.25Å; F405-M409 HydrophobicContact CD2-CG 3.79Å; F405-M409 HydrophobicContact CD2-SD 4.44Å; F405-M409 HydrophobicContact CE1-CG 4.16Å; F405-M409 HydrophobicContact CE2-CE 4.17Å; F405-M409 HydrophobicContact CE2-CG 3.32Å; F405-M409 HydrophobicContact CE2-SD 3.82Å; F405-M409 HydrophobicContact CG-CG 4.38Å; F405-M409 HydrophobicContact CZ-CG 3.54Å; F405-M409 HydrophobicContact CZ-SD 4.4Å; F405-M409 WeakPolarHBondContact O-CG 3.07Å; F405-M409 PolarHBondContact O-N 2.98Å; M409-K411 VanDerWaalsContact C-N 3.34Å; M409-V412 HydrophobicContact CE-CG2 4.15Å; M409-V412 PolarHBondContact O-N 3.32Å; M409-E413 WeakPolarHBondContact O-CB 3.42Å; M409-E413 PolarHBondContact O-N 2.91Å; M409-F422 HydrophobicContact SD-CB 4.14Å; M409-F422 HydrophobicContact SD-CD1 4.08Å; M409-F422 HydrophobicContact SD-CG 4.47Å; M409-Y427 HydrophobicContact CB-CE1 3.91Å; M409-Y427 HydrophobicContact CG-CE1 4.17Å
410R92.8Very high89.7Confident140 Ų14055.5 Ų55.553%0.52828%0.278SS..Hα-helixtrans-62.3-42.7169.9-72.9178.6-156.6-170.28.1111.7E406 D408 E413 E414E406-R410 VanDerWaalsContact O-CG 3.3Å; E406-R410 WeakPolarHBondContact O-CG 3.19Å; E406-R410 PolarHBondContact O-N 3.08Å; E406-R410 VanDerWaalsContact O-N 3.12Å; E406-R410 IonicContact OE2-NH2 3.79Å; D408-R410 VanDerWaalsContact C-N 3.33Å; D408-R410 PolarHBondContact O-N 2.51Å; R410-E413 PolarHBondContact O-N 3.11Å; R410-E414 WeakPolarHBondContact O-CG 3.47Å; R410-E414 PolarHBondContact O-N 3.23Å
411K93.1Very high89.3Confident96 Ų9655.3 Ų55.342%0.41728%0.278SS..Hα-helixtrans-64.4-41.3176.2-166.3172.9-174.8-168.10111.2T355 I359 K407 D408 M409 E414 L415T355-K411 HydrophobicContact CG2-CD 4.19Å; I359-K411 HydrophobicContact CD1-CB 4.49Å; K407-K411 PolarHBondContact O-N 3.46Å; K407-K411 VanDerWaalsContact O-N 3.14Å; D408-K411 CarbonylContact O-C 3.52Å; D408-K411 WeakPolarHBondContact O-CB 3.49Å; D408-K411 PolarHBondContact O-N 3.35Å; D408-K411 VanDerWaalsContact O-N 3.11Å; M409-K411 VanDerWaalsContact C-N 3.34Å; K411-E414 WeakPolarHBondContact O-CB 3.23Å; K411-E414 PolarHBondContact O-N 3.03Å; K411-L415 VanDerWaalsContact O-CG 3.25Å; K411-L415 WeakPolarHBondContact O-CG 3.38Å; K411-L415 PolarHBondContact O-N 3.49Å
412V93Very high89.2Confident0 Ų051.5 Ų51.50%025%0.254CS..Hα-helixtrans-61.2-43.4173.7170.70000111.2L326 I359 D408 M409 E414 L415 I416 F422L326-V412 HydrophobicContact CD1-CG1 3.72Å; L326-V412 HydrophobicContact CD1-CG2 4.38Å; L326-V412 HydrophobicContact CD2-CG2 4.12Å; I359-V412 HydrophobicContact CD1-CG2 3.74Å; I359-V412 HydrophobicContact CG2-CG2 4.48Å; D408-V412 WeakPolarHBondContact O-CG2 3.38Å; D408-V412 PolarHBondContact O-N 3.03Å; M409-V412 HydrophobicContact CE-CG2 4.15Å; M409-V412 PolarHBondContact O-N 3.32Å; V412-E414 VanDerWaalsContact C-N 3.35Å; V412-E414 PolarHBondContact O-N 3.17Å; V412-L415 PolarHBondContact O-N 3.27Å; V412-I416 HydrophobicContact CG1-CD1 3.43Å; V412-I416 VanDerWaalsContact CG1-CD1 3.43Å; V412-I416 HydrophobicContact CG1-CG1 4.42Å; V412-I416 WeakPolarHBondContact O-CB 3.31Å; V412-I416 WeakPolarHBondContact O-CG1 3.49Å; V412-I416 PolarHBondContact O-N 3.34Å; V412-F422 HydrophobicContact CB-CB 4.39Å; V412-F422 HydrophobicContact CG1-CB 3.71Å; V412-F422 HydrophobicContact CG1-CD1 4.42Å; V412-F422 HydrophobicContact CG1-CD2 3.55Å; V412-F422 HydrophobicContact CG1-CE2 4.36Å; V412-F422 HydrophobicContact CG1-CG 3.59Å
413E91.4Very high89.1Confident50 Ų5050.3 Ų50.323%0.23425%0.251CS..Hα-helixtrans-61.9-39.8174.5-178.5177.4-170.200112.1M409 R410 G417 S423M409-E413 WeakPolarHBondContact O-CB 3.42Å; M409-E413 PolarHBondContact O-N 2.91Å; R410-E413 PolarHBondContact O-N 3.11Å; E413-G417 CarbonylContact O-C 3.6Å; E413-G417 VanDerWaalsContact O-CA 3.3Å; E413-G417 WeakPolarHBondContact O-CA 3.49Å; E413-G417 PolarHBondContact O-N 3.06Å; E413-S423 VanDerWaalsContact OE1-CB 3.27Å; E413-S423 WeakPolarHBondContact OE1-CB 3.48Å; E413-S423 WeakPolarHBondContact OE2-CA 3.47Å; E413-S423 WeakPolarHBondContact OE2-CB 3.44Å
414E91.1Very high88.9Confident160 Ų16050 Ų5075%0.74824%0.24SC*.Hα-helixtrans-63.2-39.6175.2-75.6172.5-174.300112.4R410 K411 V412R410-E414 WeakPolarHBondContact O-CG 3.47Å; R410-E414 PolarHBondContact O-N 3.23Å; K411-E414 WeakPolarHBondContact O-CB 3.23Å; K411-E414 PolarHBondContact O-N 3.03Å; V412-E414 VanDerWaalsContact C-N 3.35Å; V412-E414 PolarHBondContact O-N 3.17Å
415L90.9Very high88.2Confident39 Ų3954.7 Ų54.720%0.20426%0.261CS..Hα-helixtrans-73.9-35.3-179.8-65.4172.5000113D352 T355 I356 K411 V412D352-L415 HydrophobicContact CB-CB 4.34Å; D352-L415 HydrophobicContact CB-CD2 3.91Å; D352-L415 HydrophobicContact CB-CG 4.47Å; D352-L415 WeakPolarHBondContact OD1-CD2 3.5Å; T355-L415 HydrophobicContact CG2-CD1 3.76Å; I356-L415 HydrophobicContact CG1-CD1 4Å; K411-L415 VanDerWaalsContact O-CG 3.25Å; K411-L415 WeakPolarHBondContact O-CG 3.38Å; K411-L415 PolarHBondContact O-N 3.49Å; V412-L415 PolarHBondContact O-N 3.27Å
416I87.3Confident87.5Confident6 Ų656.5 Ų56.53%0.03127%0.272CS..Hα-helixtrans-93.2-35.1-174.6-65.1168.6000111.6F335 T337 I356 V412 F422F335-I416 HydrophobicContact CB-CB 4.39Å; F335-I416 HydrophobicContact CB-CD1 3.71Å; F335-I416 HydrophobicContact CB-CG1 3.9Å; F335-I416 HydrophobicContact CB-CG2 3.57Å; F335-I416 HydrophobicContact CD1-CD1 3.38Å; F335-I416 HydrophobicContact CD1-CG1 4.26Å; F335-I416 HydrophobicContact CD2-CD1 4.25Å; F335-I416 HydrophobicContact CD2-CG1 4.27Å; F335-I416 HydrophobicContact CE1-CD1 4.01Å; F335-I416 HydrophobicContact CG-CD1 3.5Å; F335-I416 VanDerWaalsContact CG-CD1 3.5Å; F335-I416 HydrophobicContact CG-CG1 3.87Å; F335-I416 HydrophobicContact CG-CG2 4.46Å; T337-I416 HydrophobicContact CG2-CG2 3.36Å; I356-I416 HydrophobicContact CD1-CD1 4.35Å; I356-I416 HydrophobicContact CD1-CG1 4.29Å; V412-I416 HydrophobicContact CG1-CD1 3.43Å; V412-I416 VanDerWaalsContact CG1-CD1 3.43Å; V412-I416 HydrophobicContact CG1-CG1 4.42Å; V412-I416 WeakPolarHBondContact O-CB 3.31Å; V412-I416 WeakPolarHBondContact O-CG1 3.49Å; V412-I416 PolarHBondContact O-N 3.34Å; I416-F422 HydrophobicContact CD1-CD2 3.68Å; I416-F422 HydrophobicContact CD1-CE2 3.84Å
417G83.5Confident87.2Confident27 Ų2755.1 Ų55.128%0.27827%0.266SS..  trans116.7158.8-177.200000113.8E413 S420E413-G417 CarbonylContact O-C 3.6Å; E413-G417 VanDerWaalsContact O-CA 3.3Å; E413-G417 WeakPolarHBondContact O-CA 3.49Å; E413-G417 PolarHBondContact O-N 3.06Å; G417-S420 WeakPolarHBondContact O-CB 3.47Å; G417-S420 PolarHBondContact O-N 3.49Å; G417-S420 PolarHBondContact O-OG 3.32Å
418K79Confident86.6Confident184 Ų18450.3 Ų50.380%0.825%0.247SC*.THydrogen-bonded Turntrans-58.1141.2178.8-75.2-170.5176.9-178.20112S420K418-S420 VanDerWaalsContact C-N 3.3Å
419G72.6Confident85.4Confident22 Ų2253.9 Ų53.923%0.22727%0.266CS..THydrogen-bonded Turntrans76.318-17800000113.3Y338Y338-G419 WeakPolarHBondContact CD2-O 3.43Å; Y338-G419 PolarHBondContact N-O 2.94Å
420S85.5Confident84.1Confident0 Ų058 Ų580%029%0.285CS..BIsolated β-bridgetrans-64.3159165.261.80000111.3G417 K418 F422 S423G417-S420 WeakPolarHBondContact O-CB 3.47Å; G417-S420 PolarHBondContact O-N 3.49Å; G417-S420 PolarHBondContact O-OG 3.32Å; K418-S420 VanDerWaalsContact C-N 3.3Å; S420-F422 PolarHBondContact O-N 3.34Å; S420-F422 VanDerWaalsContact O-N 3.1Å; S420-S423 WeakPolarHBondContact O-CB 3.32Å; S420-S423 PolarHBondContact O-N 2.94Å; S420-S423 PolarHBondContact O-OG 2.99Å
421D81.2Confident83Confident11 Ų1151.5 Ų51.56%0.05926%0.261CS..THydrogen-bonded Turntrans-57.9-22.2174-69.6-47.2000112.8Q329 Y338 Y427 Q430Q329-D421 PolarHBondContact NE2-OD2 3.18Å; Y338-D421 WeakPolarHBondContact CE2-OD1 3.22Å; D421-Y427 PolarHBondContact O-N 2.83Å; D421-Q430 PolarHBondContact OD1-NE2 2.81Å
422F90.1Very high82.1Confident1 Ų149.4 Ų49.40%0.00425%0.252CS..THydrogen-bonded Turntrans-91.63.5-178.7-46.8-71.9000113.8T322 L326 Q329 F335 M409 V412 I416 S420 Y427T322-F422 HydrophobicContact CG2-CD1 4Å; L326-F422 VanDerWaalsContact CA-CE1 3.5Å; L326-F422 HydrophobicContact CB-CD1 4.27Å; L326-F422 HydrophobicContact CB-CE1 3.58Å; L326-F422 HydrophobicContact CB-CZ 4.07Å; L326-F422 HydrophobicContact CD1-CD1 3.97Å; L326-F422 HydrophobicContact CD1-CD2 4.16Å; L326-F422 HydrophobicContact CD1-CE1 3.61Å; L326-F422 HydrophobicContact CD1-CE2 3.81Å; L326-F422 HydrophobicContact CD1-CG 4.24Å; L326-F422 HydrophobicContact CD1-CZ 3.52Å; L326-F422 HydrophobicContact CG-CE1 4.21Å; L326-F422 HydrophobicContact CG-CZ 4.42Å; Q329-F422 HydrophobicContact CB-CZ 4.36Å; Q329-F422 HydrophobicContact CG-CZ 4.3Å; F335-F422 AromaticContact CD1-CE2 3.84Å; F335-F422 HydrophobicContact CD1-CE2 3.84Å; F335-F422 HydrophobicContact CD1-CZ 4.39Å; F335-F422 HydrophobicContact CE1-CE2 4.42Å; M409-F422 HydrophobicContact SD-CB 4.14Å; M409-F422 HydrophobicContact SD-CD1 4.08Å; M409-F422 HydrophobicContact SD-CG 4.47Å; V412-F422 HydrophobicContact CB-CB 4.39Å; V412-F422 HydrophobicContact CG1-CB 3.71Å; V412-F422 HydrophobicContact CG1-CD1 4.42Å; V412-F422 HydrophobicContact CG1-CD2 3.55Å; V412-F422 HydrophobicContact CG1-CE2 4.36Å; V412-F422 HydrophobicContact CG1-CG 3.59Å; I416-F422 HydrophobicContact CD1-CD2 3.68Å; I416-F422 HydrophobicContact CD1-CE2 3.84Å; S420-F422 PolarHBondContact O-N 3.34Å; S420-F422 VanDerWaalsContact O-N 3.1Å; F422-Y427 VanDerWaalsContact O-CD1 3.25Å; F422-Y427 WeakPolarHBondContact O-CD1 3.5Å; F422-Y427 WeakPolarHBondContact O-CE1 3.33Å
423S87Confident81.2Confident9 Ų952.5 Ų52.56%0.06326%0.264CS..SBendtrans-69.8143.9170.5660000110.8E413 S420 N425 V426 Y427E413-S423 VanDerWaalsContact OE1-CB 3.27Å; E413-S423 WeakPolarHBondContact OE1-CB 3.48Å; E413-S423 WeakPolarHBondContact OE2-CA 3.47Å; E413-S423 WeakPolarHBondContact OE2-CB 3.44Å; S420-S423 WeakPolarHBondContact O-CB 3.32Å; S420-S423 PolarHBondContact O-N 2.94Å; S420-S423 PolarHBondContact O-OG 2.99Å; S423-N425 VanDerWaalsContact C-N 3.26Å; S423-N425 PolarHBondContact O-N 3.47Å; S423-N425 VanDerWaalsContact O-N 3.13Å; S423-V426 WeakPolarHBondContact O-CA 3.44Å; S423-V426 PolarHBondContact O-N 3.46Å; S423-V426 WeakPolarHBondContact OG-CB 3.19Å; S423-V426 WeakPolarHBondContact OG-CG2 3.39Å; S423-Y427 WeakPolarHBondContact O-CD1 3.33Å; S423-Y427 PolarHBondContact O-N 2.85Å
424K86.4Confident80.1Confident85 Ų8556.2 Ų56.237%0.3728%0.281SS..Hα-helixtrans-51.7-42.6-173.9-179164.5177.4159.20114.2E406 V426 Y427 L428E406-K424 WeakPolarHBondContact OE1-CE 3.37Å; E406-K424 IonicContact OE1-NZ 2.63Å; E406-K424 PolarHBondContact OE1-NZ 3.38Å; E406-K424 IonicContact OE2-NZ 3.67Å; K424-V426 VanDerWaalsContact C-N 3.28Å; K424-V426 PolarHBondContact O-N 3.22Å; K424-Y427 HydrophobicContact CB-CE1 4.11Å; K424-L428 HydrophobicContact CG-CD1 3.72Å; K424-L428 HydrophobicContact CG-CG 4.41Å; K424-L428 VanDerWaalsContact O-CB 3.3Å; K424-L428 WeakPolarHBondContact O-CB 3.35Å; K424-L428 WeakPolarHBondContact O-CD1 3.34Å; K424-L428 WeakPolarHBondContact O-CG 3.39Å; K424-L428 PolarHBondContact O-N 3.03Å
425N79.2Confident79.2Confident126 Ų12649.9 Ų49.967%0.67425%0.252SS*.Hα-helixtrans-72.4-23.4-180-66.5-28.6000112.7S423 N429S423-N425 VanDerWaalsContact C-N 3.26Å; S423-N425 PolarHBondContact O-N 3.47Å; S423-N425 VanDerWaalsContact O-N 3.13Å; N425-N429 WeakPolarHBondContact O-CB 3.28Å; N425-N429 PolarHBondContact O-ND2 3.45Å
426V79.3Confident78.6Confident37 Ų3751.1 Ų51.122%0.22426%0.262CS..Hα-helixtrans-86.5-55.3-177.5178.60000110.2S423 K424 L428 N429 Q430S423-V426 WeakPolarHBondContact O-CA 3.44Å; S423-V426 PolarHBondContact O-N 3.46Å; S423-V426 WeakPolarHBondContact OG-CB 3.19Å; S423-V426 WeakPolarHBondContact OG-CG2 3.39Å; K424-V426 VanDerWaalsContact C-N 3.28Å; K424-V426 PolarHBondContact O-N 3.22Å; V426-L428 VanDerWaalsContact C-N 3.32Å; V426-L428 PolarHBondContact O-N 3.16Å; V426-N429 PolarHBondContact O-N 2.77Å; V426-Q430 HydrophobicContact CG1-CG 4.03Å; V426-Q430 WeakPolarHBondContact O-CG 3.38Å; V426-Q430 PolarHBondContact O-N 3.25Å
427Y83.9Confident78.2Confident6 Ų655 Ų552%0.02428%0.276CS..Hα-helixtrans-61.8-39.1-178.467.4-111.3000112.4I318 T322 F405 M409 D421 F422 S423 K424 N429 Q430 T431I318-Y427 HydrophobicContact CG2-CD2 3.78Å; I318-Y427 HydrophobicContact CG2-CE2 3.99Å; T322-Y427 HydrophobicContact CG2-CD1 4.37Å; T322-Y427 HydrophobicContact CG2-CG 4.15Å; F405-Y427 HydrophobicContact CE1-CD2 4.36Å; F405-Y427 AromaticContact CE1-CE2 3.79Å; F405-Y427 HydrophobicContact CE1-CE2 3.79Å; F405-Y427 AromaticContact CE1-CZ 3.96Å; F405-Y427 HydrophobicContact CZ-CD2 4.27Å; F405-Y427 HydrophobicContact CZ-CE2 4.11Å; M409-Y427 HydrophobicContact CB-CE1 3.91Å; M409-Y427 HydrophobicContact CG-CE1 4.17Å; D421-Y427 PolarHBondContact O-N 2.83Å; F422-Y427 VanDerWaalsContact O-CD1 3.25Å; F422-Y427 WeakPolarHBondContact O-CD1 3.5Å; F422-Y427 WeakPolarHBondContact O-CE1 3.33Å; S423-Y427 WeakPolarHBondContact O-CD1 3.33Å; S423-Y427 PolarHBondContact O-N 2.85Å; K424-Y427 HydrophobicContact CB-CE1 4.11Å; Y427-N429 PolarHBondContact O-N 3.14Å; Y427-Q430 PolarHBondContact O-N 3.12Å; Y427-T431 WeakPolarHBondContact O-CG2 3.31Å; Y427-T431 PolarHBondContact O-N 3.29Å; Y427-T431 PolarHBondContact O-OG1 3.23Å; Y427-T431 VanDerWaalsContact O-OG1 3.08Å
428L83.1Confident77.9Confident52 Ų5261 Ų6127%0.27230%0.297SS..Hα-helixtrans-62.3-27.2176.7-70.7178000113.3I318 K424 V426I318-L428 HydrophobicContact CD1-CD2 3.8Å; I318-L428 HydrophobicContact CG2-CD2 4.23Å; K424-L428 HydrophobicContact CG-CD1 3.72Å; K424-L428 HydrophobicContact CG-CG 4.41Å; K424-L428 VanDerWaalsContact O-CB 3.3Å; K424-L428 WeakPolarHBondContact O-CB 3.35Å; K424-L428 WeakPolarHBondContact O-CD1 3.34Å; K424-L428 WeakPolarHBondContact O-CG 3.39Å; K424-L428 PolarHBondContact O-N 3.03Å; V426-L428 VanDerWaalsContact C-N 3.32Å; V426-L428 PolarHBondContact O-N 3.16Å
429N68.5Low77.7Confident79 Ų7955.2 Ų55.242%0.42227%0.273SS..Hα-helixtrans-92.5-23.7179.7-80.2-44.5000113R311 N425 V426 Y427R311-N429 PolarHBondContact NE-O 3.27Å; R311-N429 PolarHBondContact NH1-OD1 3.4Å; N425-N429 WeakPolarHBondContact O-CB 3.28Å; N425-N429 PolarHBondContact O-ND2 3.45Å; V426-N429 PolarHBondContact O-N 2.77Å; Y427-N429 PolarHBondContact O-N 3.14Å
430Q68.6Low77.5Confident87 Ų8754.6 Ų54.641%0.40727%0.266SS..Hα-helixtrans-85.8-30.1179.6-75.8177.6-1700112.6D421 V426 Y427 K432D421-Q430 PolarHBondContact OD1-NE2 2.81Å; V426-Q430 HydrophobicContact CG1-CG 4.03Å; V426-Q430 WeakPolarHBondContact O-CG 3.38Å; V426-Q430 PolarHBondContact O-N 3.25Å; Y427-Q430 PolarHBondContact O-N 3.12Å; Q430-K432 WeakPolarHBondContact O-CG 3.33Å; Q430-K432 PolarHBondContact O-N 3.44Å
431T69.4Low77Confident4 Ų455.8 Ų55.83%0.02528%0.275CS..  trans-69129.6-178.451.60000111.8T312 I318 Q321 Y427T312-T431 PolarHBondContact N-O 2.92Å; I318-T431 HydrophobicContact CB-CG2 4.3Å; I318-T431 HydrophobicContact CG1-CG2 4.23Å; I318-T431 HydrophobicContact CG2-CG2 4.25Å; Q321-T431 HydrophobicContact CB-CG2 4.07Å; Y427-T431 WeakPolarHBondContact O-CG2 3.31Å; Y427-T431 PolarHBondContact O-N 3.29Å; Y427-T431 PolarHBondContact O-OG1 3.23Å; Y427-T431 VanDerWaalsContact O-OG1 3.08Å
432K73.2Confident76.6Confident53 Ų5362.5 Ų62.523%0.2330%0.304CS..EExtended strand (participates in β ladder)trans-127.9157.4-165.3-85.4-175.5-144.6175.40110.8I309 G310 Q321 F388 Q430I309-K432 HydrophobicContact CB-CD 4.35Å; I309-K432 HydrophobicContact CG2-CB 3.37Å; I309-K432 HydrophobicContact CG2-CD 3.5Å; I309-K432 HydrophobicContact CG2-CG 3.64Å; G310-K432 CarbonylContact O-C 3.52Å; G310-K432 WeakPolarHBondContact O-CA 3.3Å; Q321-K432 PolarHBondContact NE2-O 2.92Å; Q321-K432 PolarHBondContact OE1-O 3.49Å; F388-K432 HydrophobicContact CD1-CB 4.02Å; F388-K432 HydrophobicContact CE1-CB 3.58Å; F388-K432 HydrophobicContact CE1-CD 3.84Å; F388-K432 HydrophobicContact CE1-CG 4.16Å; F388-K432 HydrophobicContact CE2-CD 4.39Å; F388-K432 HydrophobicContact CZ-CB 4.25Å; F388-K432 HydrophobicContact CZ-CD 3.6Å; F388-K432 HydrophobicContact CZ-CG 4.42Å; Q430-K432 WeakPolarHBondContact O-CG 3.33Å; Q430-K432 PolarHBondContact O-N 3.44Å
433R74.3Confident75.4Confident65 Ų6565.9 Ų65.925%0.24532%0.323CS..EExtended strand (participates in β ladder)trans-143156.3169.663.7175.4-175.780.24.7110I309 G310 L435 E439I309-R433 CarbonylContact C-O 3.56Å; I309-R433 WeakPolarHBondContact CA-O 3.48Å; I309-R433 WeakPolarHBondContact CG2-O 3.32Å; G310-R433 PolarHBondContact N-O 2.91Å; G310-R433 PolarHBondContact O-N 2.81Å; R433-L435 PolarHBondContact O-N 3.45Å; R433-E439 IonicContact CZ-OE1 3.45Å; R433-E439 IonicContact CZ-OE2 3.99Å; R433-E439 IonicContact NH1-OE1 3.88Å; R433-E439 PolarHBondContact NH1-OE1 3.25Å; R433-E439 IonicContact NH1-OE2 2.74Å; R433-E439 PolarHBondContact NH1-OE2 3Å; R433-E439 IonicContact NH2-OE1 2.75Å; R433-E439 PolarHBondContact NH2-OE1 2.81Å; R433-E439 IonicContact NH2-OE2 3.64Å; R433-E439 PolarHBondContact NH2-OE2 2.8Å
434Q69.1Low74.3Confident128 Ų12866.5 Ų66.560%0.59832%0.324SS*.EExtended strand (participates in β ladder)trans-62.1136.8169.1-74.2-176.5-12.500110.3
435L71Confident73.1Confident27 Ų2767.5 Ų67.514%0.14133%0.33CS..PPolyproline II helixtrans-73.2144174.5-72.2168.8000109.9Y307 G308 R433 E439 A440Y307-L435 WeakPolarHBondContact CB-O 3.18Å; Y307-L435 WeakPolarHBondContact CD2-O 3.27Å; Y307-L435 WeakPolarHBondContact O-CD1 3.27Å; G308-L435 PolarHBondContact O-N 2.86Å; R433-L435 PolarHBondContact O-N 3.45Å; L435-E439 HydrophobicContact CD2-CB 4.03Å; L435-A440 HydrophobicContact CB-CB 4.42Å
436T78.7Confident72.3Confident65 Ų6563.6 Ų63.640%0.39931%0.311SS..PPolyproline II helixtrans-78.7161.6167.966.90000110E438 E439 A440T436-E438 VanDerWaalsContact C-N 3.26Å; T436-E438 PolarHBondContact O-N 3.11Å; T436-E439 PolarHBondContact N-OE2 3.42Å; T436-E439 PolarHBondContact O-N 3.27Å; T436-E439 VanDerWaalsContact OG1-CG 3.26Å; T436-E439 WeakPolarHBondContact OG1-CG 3.3Å; T436-E439 PolarHBondContact OG1-N 2.88Å; T436-A440 WeakPolarHBondContact O-CB 3.37Å; T436-A440 PolarHBondContact O-N 2.92Å
437Y78Confident71.1Confident86 Ų8664 Ų6434%0.33731%0.313SS..Hα-helixtrans-50.4-46.6173.1170.3-101.6000112.3P300 P302 Y307 E439 A440 A441P300-Y437 HydrophobicContact CB-CD2 4.02Å; P300-Y437 HydrophobicContact CB-CE2 4.16Å; P300-Y437 HydrophobicContact CG-CE2 4.49Å; P300-Y437 WeakPolarHBondContact O-CE2 3.22Å; P302-Y437 HydrophobicContact CB-CE2 4.34Å; P302-Y437 HydrophobicContact CG-CE2 3.82Å; Y307-Y437 AromaticContact CE1-CD2 3.88Å; Y307-Y437 HydrophobicContact CE1-CD2 3.88Å; Y307-Y437 AromaticContact CZ-CD2 3.83Å; Y437-E439 PolarHBondContact O-N 2.64Å; Y437-A440 PolarHBondContact O-N 2.93Å; Y437-A441 VanDerWaalsContact O-CB 3.3Å; Y437-A441 WeakPolarHBondContact O-CB 3.35Å; Y437-A441 PolarHBondContact O-N 2.82Å
438E78.8Confident69.6Low155 Ų15565.9 Ų65.972%0.72432%0.324SS*.Hα-helixtrans-63.9-40.9-178.7-66.4-177.1175.900112.4T436 A441 K442T436-E438 VanDerWaalsContact C-N 3.26Å; T436-E438 PolarHBondContact O-N 3.11Å; E438-A441 PolarHBondContact O-N 3.28Å; E438-K442 WeakPolarHBondContact O-CB 3.27Å; E438-K442 PolarHBondContact O-N 3.05Å
439E73.3Confident68.2Low61 Ų6165.9 Ų65.929%0.28533%0.326SS..Hα-helixtrans-72-40.7179.1-69.3171.1164.400111.9R433 L435 T436 Y437 A441 K442 N443R433-E439 IonicContact CZ-OE1 3.45Å; R433-E439 IonicContact CZ-OE2 3.99Å; R433-E439 IonicContact NH1-OE1 3.88Å; R433-E439 PolarHBondContact NH1-OE1 3.25Å; R433-E439 IonicContact NH1-OE2 2.74Å; R433-E439 PolarHBondContact NH1-OE2 3Å; R433-E439 IonicContact NH2-OE1 2.75Å; R433-E439 PolarHBondContact NH2-OE1 2.81Å; R433-E439 IonicContact NH2-OE2 3.64Å; R433-E439 PolarHBondContact NH2-OE2 2.8Å; L435-E439 HydrophobicContact CD2-CB 4.03Å; T436-E439 PolarHBondContact N-OE2 3.42Å; T436-E439 PolarHBondContact O-N 3.27Å; T436-E439 VanDerWaalsContact OG1-CG 3.26Å; T436-E439 WeakPolarHBondContact OG1-CG 3.3Å; T436-E439 PolarHBondContact OG1-N 2.88Å; Y437-E439 PolarHBondContact O-N 2.64Å; E439-A441 VanDerWaalsContact C-N 3.29Å; E439-A441 PolarHBondContact O-N 3.45Å; E439-K442 PolarHBondContact O-N 3.46Å; E439-N443 VanDerWaalsContact O-CB 3.25Å; E439-N443 WeakPolarHBondContact O-CB 3.32Å; E439-N443 PolarHBondContact O-N 3.4Å; E439-N443 PolarHBondContact O-ND2 3.45Å
440A70.1Confident67.3Low10 Ų1067.4 Ų67.48%0.08333%0.329CS..Hα-helixtrans-61.9-40.217300000110.9P300 Y307 L435 T436 Y437 N443 F444P300-A440 HydrophobicContact CB-CB 3.96Å; P300-A440 HydrophobicContact CG-CB 4.1Å; Y307-A440 HydrophobicContact CD1-CB 4.15Å; Y307-A440 HydrophobicContact CG-CB 4.16Å; L435-A440 HydrophobicContact CB-CB 4.42Å; T436-A440 WeakPolarHBondContact O-CB 3.37Å; T436-A440 PolarHBondContact O-N 2.92Å; Y437-A440 PolarHBondContact O-N 2.93Å; A440-N443 PolarHBondContact O-N 2.92Å; A440-F444 WeakPolarHBondContact O-CB 3.46Å; A440-F444 PolarHBondContact O-N 2.83Å
441A74.2Confident66.2Low24 Ų2467 Ų6720%0.19833%0.33CS..Hα-helixtrans-66.5-42.5176.500000111.8P300 Y437 E438 E439 F444 Q445P300-A441 HydrophobicContact CG-CB 3.91Å; Y437-A441 VanDerWaalsContact O-CB 3.3Å; Y437-A441 WeakPolarHBondContact O-CB 3.35Å; Y437-A441 PolarHBondContact O-N 2.82Å; E438-A441 PolarHBondContact O-N 3.28Å; E439-A441 VanDerWaalsContact C-N 3.29Å; E439-A441 PolarHBondContact O-N 3.45Å; A441-F444 WeakPolarHBondContact O-CB 3.49Å; A441-F444 PolarHBondContact O-N 3.33Å; A441-Q445 WeakPolarHBondContact O-CG 3Å; A441-Q445 PolarHBondContact O-N 3.06Å
442K72.9Confident65.3Low152 Ų15274.5 Ų74.566%0.66136%0.357SS*.Hα-helixtrans-65.1-43175.1-173.1179.5-179179.70112E438 E439 Q445 T446E438-K442 WeakPolarHBondContact O-CB 3.27Å; E438-K442 PolarHBondContact O-N 3.05Å; E439-K442 PolarHBondContact O-N 3.46Å; K442-Q445 PolarHBondContact O-N 3.2Å; K442-T446 WeakPolarHBondContact O-CB 3.47Å; K442-T446 PolarHBondContact O-N 2.99Å; K442-T446 PolarHBondContact O-OG1 3.4Å
443N64.9Low64.1Low73 Ų7375.8 Ų75.839%0.3937%0.369SS..Hα-helixtrans-63.9-43.5175.7-74.3-16.2000110.6E439 A440 Q445 T446 T447E439-N443 VanDerWaalsContact O-CB 3.25Å; E439-N443 WeakPolarHBondContact O-CB 3.32Å; E439-N443 PolarHBondContact O-N 3.4Å; E439-N443 PolarHBondContact O-ND2 3.45Å; A440-N443 PolarHBondContact O-N 2.92Å; N443-Q445 PolarHBondContact O-N 3.48Å; N443-T446 PolarHBondContact O-N 3.24Å; N443-T447 VanDerWaalsContact O-CB 3.32Å; N443-T447 WeakPolarHBondContact O-CB 3.24Å; N443-T447 PolarHBondContact O-N 3.36Å; N443-T447 PolarHBondContact O-OG1 3.41Å
444F64.1Low62.9Low21 Ų2175.7 Ų75.79%0.09238%0.379CS..Hα-helixtrans-54-53174.4176.6-86.5000111.3L297 H299 A440 A441 T446 T447 L448L297-F444 HydrophobicContact CB-CD2 3.48Å; L297-F444 VanDerWaalsContact CB-CD2 3.48Å; L297-F444 HydrophobicContact CB-CE2 3.57Å; L297-F444 HydrophobicContact CD1-CD2 4.2Å; L297-F444 HydrophobicContact CD2-CB 4.2Å; L297-F444 HydrophobicContact CD2-CD2 3.94Å; L297-F444 HydrophobicContact CD2-CG 4.48Å; L297-F444 HydrophobicContact CG-CD2 4.05Å; L297-F444 VanDerWaalsContact O-CE2 3.3Å; L297-F444 WeakPolarHBondContact O-CE2 3.4Å; H299-F444 HydrophobicContact CB-CE2 4.11Å; H299-F444 HydrophobicContact CB-CZ 4.1Å; H299-F444 AromaticContact CD2-CE1 3.69Å; H299-F444 AromaticContact CD2-CZ 3.91Å; A440-F444 WeakPolarHBondContact O-CB 3.46Å; A440-F444 PolarHBondContact O-N 2.83Å; A441-F444 WeakPolarHBondContact O-CB 3.49Å; A441-F444 PolarHBondContact O-N 3.33Å; F444-T446 PolarHBondContact O-N 3.12Å; F444-T447 PolarHBondContact O-N 3.01Å; F444-L448 HydrophobicContact CD1-CD1 3.67Å; F444-L448 HydrophobicContact CD1-CG 4.48Å; F444-L448 HydrophobicContact CE1-CD1 3.19Å; F444-L448 HydrophobicContact CE1-CG 4.2Å; F444-L448 HydrophobicContact CZ-CD1 3.69Å; F444-L448 HydrophobicContact CZ-CG 4.39Å; F444-L448 WeakPolarHBondContact O-CG 3.48Å; F444-L448 PolarHBondContact O-N 2.8Å
445Q61.4Low61.9Low106 Ų10671.7 Ų71.750%0.49537%0.371SS..Hα-helixtrans-61.6-45177.5-70.6-63.9-19.400112.4A441 K442 N443 T447 L448 T449A441-Q445 WeakPolarHBondContact O-CG 3Å; A441-Q445 PolarHBondContact O-N 3.06Å; K442-Q445 PolarHBondContact O-N 3.2Å; N443-Q445 PolarHBondContact O-N 3.48Å; Q445-T447 VanDerWaalsContact C-N 3.29Å; Q445-T447 PolarHBondContact O-N 2.94Å; Q445-L448 PolarHBondContact O-N 3.21Å; Q445-T449 WeakPolarHBondContact O-CG2 3.39Å; Q445-T449 PolarHBondContact O-N 2.86Å; Q445-T449 VanDerWaalsContact O-N 3.09Å; Q445-T449 PolarHBondContact O-OG1 3.3Å
446T61.7Low60.9Low45 Ų4573.1 Ų73.128%0.27639%0.387SS..Hα-helixtrans-62.5-39.6179.3-52.20000111.2K442 N443 F444 T449 K450K442-T446 WeakPolarHBondContact O-CB 3.47Å; K442-T446 PolarHBondContact O-N 2.99Å; K442-T446 PolarHBondContact O-OG1 3.4Å; N443-T446 PolarHBondContact O-N 3.24Å; F444-T446 PolarHBondContact O-N 3.12Å; T446-T449 PolarHBondContact O-N 2.87Å; T446-T449 PolarHBondContact O-OG1 2.91Å; T446-K450 PolarHBondContact O-N 3.07Å
447T55.2Low59.6Low45 Ų4572.5 Ų72.528%0.27638%0.379SS..Hα-helixtrans-74.8-38.7-177.2-44.60000111.1I295 L297 N443 F444 Q445 T449 K450 D451I295-T447 HydrophobicContact CD1-CG2 3.27Å; I295-T447 HydrophobicContact CG1-CG2 4.39Å; L297-T447 HydrophobicContact CD1-CG2 3.97Å; N443-T447 VanDerWaalsContact O-CB 3.32Å; N443-T447 WeakPolarHBondContact O-CB 3.24Å; N443-T447 PolarHBondContact O-N 3.36Å; N443-T447 PolarHBondContact O-OG1 3.41Å; F444-T447 PolarHBondContact O-N 3.01Å; Q445-T447 VanDerWaalsContact C-N 3.29Å; Q445-T447 PolarHBondContact O-N 2.94Å; T447-T449 VanDerWaalsContact C-N 3.27Å; T447-T449 PolarHBondContact O-N 3.28Å; T447-K450 PolarHBondContact O-N 3.44Å; T447-D451 PolarHBondContact O-N 3.27Å
448L52.1Low58.3Low45 Ų4570.9 Ų70.924%0.23638%0.383CS..Hα-helixtrans-54.4-42.5168.6-79.9171.9000112.3F444 Q445F444-L448 HydrophobicContact CD1-CD1 3.67Å; F444-L448 HydrophobicContact CD1-CG 4.48Å; F444-L448 HydrophobicContact CE1-CD1 3.19Å; F444-L448 HydrophobicContact CE1-CG 4.2Å; F444-L448 HydrophobicContact CZ-CD1 3.69Å; F444-L448 HydrophobicContact CZ-CG 4.39Å; F444-L448 WeakPolarHBondContact O-CG 3.48Å; F444-L448 PolarHBondContact O-N 2.8Å; Q445-L448 PolarHBondContact O-N 3.21Å
449T53Low57Low52 Ų5272.4 Ų72.432%0.31938%0.383SS..Hα-helixtrans-72.8-36.2178.459.30000113.3Q445 T446 T447 V453 V516Q445-T449 WeakPolarHBondContact O-CG2 3.39Å; Q445-T449 PolarHBondContact O-N 2.86Å; Q445-T449 VanDerWaalsContact O-N 3.09Å; Q445-T449 PolarHBondContact O-OG1 3.3Å; T446-T449 PolarHBondContact O-N 2.87Å; T446-T449 PolarHBondContact O-OG1 2.91Å; T447-T449 VanDerWaalsContact C-N 3.27Å; T447-T449 PolarHBondContact O-N 3.28Å; T449-V453 VanDerWaalsContact O-CG2 3.28Å; T449-V453 WeakPolarHBondContact O-CG2 3.49Å; T449-V516 HydrophobicContact CG2-CG2 4.15Å
450K50Low56.1Low111 Ų11172.4 Ų72.448%0.48338%0.383SS..Hα-helixtrans-68.1-44.8179-86.4-175.2174.3178.60112.7T446 T447 V453 S454T446-K450 PolarHBondContact O-N 3.07Å; T447-K450 PolarHBondContact O-N 3.44Å; K450-V453 PolarHBondContact O-N 2.99Å; K450-S454 PolarHBondContact O-N 3.32Å; K450-S454 PolarHBondContact O-OG 2.88Å
451D45.1Very low55.4Low80 Ų8074.1 Ų74.143%0.42839%0.393SS..Hα-helixtrans-69.6-37.7-173.9-92.827.3000112.8I295 T447 V453 S454 G455I295-D451 HydrophobicContact CD1-CB 4Å; I295-D451 VanDerWaalsContact CD1-CG 3.41Å; I295-D451 WeakPolarHBondContact CD1-OD2 3.41Å; I295-D451 WeakPolarHBondContact CG1-OD2 3.31Å; T447-D451 PolarHBondContact O-N 3.27Å; D451-V453 VanDerWaalsContact C-N 3.3Å; D451-V453 PolarHBondContact O-N 3.18Å; D451-S454 WeakPolarHBondContact CA-OG 3.46Å; D451-S454 PolarHBondContact O-N 3.23Å; D451-S454 PolarHBondContact O-OG 2.95Å; D451-G455 PolarHBondContact O-N 2.84Å
452R49.7Very low54.5Low161 Ų16177 Ų7761%0.60841%0.411SS*.Hα-helixtrans-60.8-39.5173.6-76.4-177.6167.1-179-4111.9D293 A456D293-R452 IonicContact OD1-NE 3.47Å; D293-R452 IonicContact OD1-NH2 2.95Å; D293-R452 IonicContact OD2-CZ 3.64Å; D293-R452 IonicContact OD2-NE 2.61Å; D293-R452 IonicContact OD2-NH2 2.89Å; D293-R452 PolarHBondContact OD2-NH2 3.07Å; R452-A456 WeakPolarHBondContact O-CB 3.35Å; R452-A456 PolarHBondContact O-N 3.37Å
453V48.1Very low53.8Low80 Ų8075 Ų7549%0.48541%0.407SS..Hα-helixtrans-74-42.6179.4176.70000111.4T449 K450 D451 F457T449-V453 VanDerWaalsContact O-CG2 3.28Å; T449-V453 WeakPolarHBondContact O-CG2 3.49Å; K450-V453 PolarHBondContact O-N 2.99Å; D451-V453 VanDerWaalsContact C-N 3.3Å; D451-V453 PolarHBondContact O-N 3.18Å; V453-F457 VanDerWaalsContact O-CB 3.25Å; V453-F457 WeakPolarHBondContact O-CB 3.37Å; V453-F457 PolarHBondContact O-N 3.25Å
454S50.3Low53.6Low63 Ų6374.8 Ų74.844%0.44140%0.401SS..Hα-helixtrans-69-36.8179.957.20000113.4K450 D451 F457 A458K450-S454 PolarHBondContact O-N 3.32Å; K450-S454 PolarHBondContact O-OG 2.88Å; D451-S454 WeakPolarHBondContact CA-OG 3.46Å; D451-S454 PolarHBondContact O-N 3.23Å; D451-S454 PolarHBondContact O-OG 2.95Å; S454-F457 PolarHBondContact O-N 3.31Å; S454-A458 WeakPolarHBondContact O-CB 3.44Å; S454-A458 PolarHBondContact O-N 2.86Å
455G47.1Very low53.4Low43 Ų4378.4 Ų78.444%0.44342%0.421SS..Hα-helixtrans-67.1-4417700000112.3D451 A458 R459D451-G455 PolarHBondContact O-N 2.84Å; G455-A458 PolarHBondContact O-N 3.32Å; G455-R459 PolarHBondContact O-N 3Å; G455-R459 VanDerWaalsContact O-N 3.11Å
456A50.1Low53.5Low57 Ų5775.1 Ų75.147%0.47142%0.416SS..Hα-helixtrans-62.3-43.1173.700000111.6R452 R459 M460R452-A456 WeakPolarHBondContact O-CB 3.35Å; R452-A456 PolarHBondContact O-N 3.37Å; A456-R459 PolarHBondContact O-N 3.42Å; A456-M460 VanDerWaalsContact O-CB 3.3Å; A456-M460 WeakPolarHBondContact O-CB 3.4Å; A456-M460 PolarHBondContact O-N 2.87Å
457F51.8Low53.5Low53 Ų5378.1 Ų78.123%0.23243%0.429CS..Hα-helixtrans-58.4-50.7176-178.1-88.7000112.1V453 S454 R459 M460 T461 S506 A510 F522V453-F457 VanDerWaalsContact O-CB 3.25Å; V453-F457 WeakPolarHBondContact O-CB 3.37Å; V453-F457 PolarHBondContact O-N 3.25Å; S454-F457 PolarHBondContact O-N 3.31Å; F457-R459 PolarHBondContact O-N 3.33Å; F457-M460 PolarHBondContact O-N 3.4Å; F457-T461 WeakPolarHBondContact O-CB 3.36Å; F457-T461 PolarHBondContact O-N 3.45Å; F457-T461 PolarHBondContact O-OG1 2.72Å; F457-S506 VanDerWaalsContact CE2-CB 3.48Å; F457-S506 WeakPolarHBondContact CE2-O 3.27Å; F457-S506 WeakPolarHBondContact CZ-OG 3.39Å; F457-A510 HydrophobicContact CE2-CB 4.16Å; F457-A510 HydrophobicContact CZ-CB 4.22Å; F457-F522 HydrophobicContact CD2-CZ 4.37Å
458A49.8Very low53.7Low51 Ų5177.3 Ų77.342%0.42142%0.424SS..Hα-helixtrans-61.4-45.1-179.100000111.8S454 G455 T461 C462S454-A458 WeakPolarHBondContact O-CB 3.44Å; S454-A458 PolarHBondContact O-N 2.86Å; G455-A458 PolarHBondContact O-N 3.32Å; A458-T461 PolarHBondContact O-N 3.27Å; A458-C462 WeakPolarHBondContact O-CB 3.38Å; A458-C462 PolarHBondContact O-N 3.23Å; A458-C462 PolarHBondContact O-SG 3.46Å
459R52.7Low54.1Low188 Ų18880.3 Ų80.371%0.70944%0.44SS*.Hα-helixtrans-62.7-46.6178-170174-91.8158.4-8.2111.4G455 A456 F457 T461 C462 D463G455-R459 PolarHBondContact O-N 3Å; G455-R459 VanDerWaalsContact O-N 3.11Å; A456-R459 PolarHBondContact O-N 3.42Å; F457-R459 PolarHBondContact O-N 3.33Å; R459-T461 VanDerWaalsContact C-N 3.34Å; R459-T461 PolarHBondContact O-N 3.16Å; R459-C462 PolarHBondContact O-N 2.98Å; R459-D463 VanDerWaalsContact O-CG 3.24Å; R459-D463 PolarHBondContact O-N 3.07Å
460M54.3Low54.6Low61 Ų6181 Ų8130%0.345%0.451SS..Hα-helixtrans-63.3-38.5178.3-163.8179.4-159.900112.7A456 F457 D463 Y464 F522 Y523 I526A456-M460 VanDerWaalsContact O-CB 3.3Å; A456-M460 WeakPolarHBondContact O-CB 3.4Å; A456-M460 PolarHBondContact O-N 2.87Å; F457-M460 PolarHBondContact O-N 3.4Å; M460-D463 PolarHBondContact O-N 3.02Å; M460-Y464 WeakPolarHBondContact O-CB 3.47Å; M460-Y464 PolarHBondContact O-N 2.79Å; M460-F522 HydrophobicContact SD-CE1 4.12Å; M460-Y523 HydrophobicContact CE-CD1 4.31Å; M460-Y523 HydrophobicContact CE-CE1 3.8Å; M460-I526 HydrophobicContact CE-CD1 3.75Å; M460-I526 HydrophobicContact CE-CG2 4.13Å; M460-I526 HydrophobicContact SD-CD1 3.65Å
461T54.5Low55.2Low46 Ų4679.4 Ų79.428%0.28245%0.447SS..Hα-helixtrans-67.7-39.1176.8-39.20000111.1F457 A458 R459 L465F457-T461 WeakPolarHBondContact O-CB 3.36Å; F457-T461 PolarHBondContact O-N 3.45Å; F457-T461 PolarHBondContact O-OG1 2.72Å; A458-T461 PolarHBondContact O-N 3.27Å; R459-T461 VanDerWaalsContact C-N 3.34Å; R459-T461 PolarHBondContact O-N 3.16Å; T461-L465 VanDerWaalsContact O-CB 3.27Å; T461-L465 WeakPolarHBondContact O-CB 3.13Å; T461-L465 PolarHBondContact O-N 2.69Å
462C56.9Low56Low85 Ų8578 Ų7857%0.57444%0.441SS*.Hα-helixtrans-66.1-43174.9-67.70000111.8A458 R459 L465 G466A458-C462 WeakPolarHBondContact O-CB 3.38Å; A458-C462 PolarHBondContact O-N 3.23Å; A458-C462 PolarHBondContact O-SG 3.46Å; R459-C462 PolarHBondContact O-N 2.98Å; C462-L465 PolarHBondContact O-N 2.97Å; C462-G466 PolarHBondContact O-N 3.4Å
463D57.3Low56.5Low109 Ų10973.9 Ų73.958%0.58344%0.436SS*.Hα-helixtrans-64.2-42.8177.9-67.6-20.8000111R459 M460 G466 L467R459-D463 VanDerWaalsContact O-CG 3.24Å; R459-D463 PolarHBondContact O-N 3.07Å; M460-D463 PolarHBondContact O-N 3.02Å; D463-G466 PolarHBondContact O-N 2.71Å; D463-L467 WeakPolarHBondContact O-CB 3.46Å; D463-L467 PolarHBondContact O-N 2.9Å
464Y60.7Low57.1Low69 Ų6974.4 Ų74.427%0.27144%0.439SS..Hα-helixtrans-64-47175.5-174.4-94.8000111.9M460 G466 L467 V468 S499 P502 T530M460-Y464 WeakPolarHBondContact O-CB 3.47Å; M460-Y464 PolarHBondContact O-N 2.79Å; Y464-G466 VanDerWaalsContact C-N 3.32Å; Y464-G466 PolarHBondContact O-N 2.99Å; Y464-L467 PolarHBondContact O-N 2.77Å; Y464-V468 HydrophobicContact CD1-CG2 4.17Å; Y464-V468 HydrophobicContact CE1-CG2 3.77Å; Y464-V468 WeakPolarHBondContact O-CG2 3.13Å; Y464-V468 PolarHBondContact O-N 2.86Å; Y464-S499 WeakPolarHBondContact CE1-O 3.34Å; Y464-P502 HydrophobicContact CE1-CB 4.28Å; Y464-P502 HydrophobicContact CE1-CG 4.41Å; Y464-T530 HydrophobicContact CE2-CG2 4.22Å
465L59.3Low57.6Low96 Ų9674.5 Ų74.550%0.50343%0.432SS..Hα-helixtrans-63.1-39.8177.2-169.970.2000111.4T461 C462 L467 V468 L469T461-L465 VanDerWaalsContact O-CB 3.27Å; T461-L465 WeakPolarHBondContact O-CB 3.13Å; T461-L465 PolarHBondContact O-N 2.69Å; C462-L465 PolarHBondContact O-N 2.97Å; L465-L467 VanDerWaalsContact C-N 3.34Å; L465-V468 PolarHBondContact O-N 3.01Å; L465-L469 HydrophobicContact CG-CD1 4.06Å; L465-L469 HydrophobicContact CG-CG 4.5Å; L465-L469 WeakPolarHBondContact O-CB 3.47Å; L465-L469 VanDerWaalsContact O-CG 3.27Å; L465-L469 WeakPolarHBondContact O-CG 3.28Å; L465-L469 PolarHBondContact O-N 2.98Å
466G64Low58.2Low38 Ų3876.2 Ų76.239%0.39243%0.43SS..Hα-helixtrans-61.4-41.1174.500000112.4C462 D463 Y464 L469 A470C462-G466 PolarHBondContact O-N 3.4Å; D463-G466 PolarHBondContact O-N 2.71Å; Y464-G466 VanDerWaalsContact C-N 3.32Å; Y464-G466 PolarHBondContact O-N 2.99Å; G466-L469 PolarHBondContact O-N 3.04Å; G466-A470 VanDerWaalsContact O-CB 3.29Å; G466-A470 WeakPolarHBondContact O-CB 3.31Å; G466-A470 PolarHBondContact O-N 3.4Å
467L61Low58.5Low107 Ų10776.3 Ų76.356%0.5643%0.43SS*.Hα-helixtrans-68.2-41.8177.1-162.5146.2000111.8D463 Y464 L465 A470 L471D463-L467 WeakPolarHBondContact O-CB 3.46Å; D463-L467 PolarHBondContact O-N 2.9Å; Y464-L467 PolarHBondContact O-N 2.77Å; L465-L467 VanDerWaalsContact C-N 3.34Å; L467-A470 PolarHBondContact O-N 3.43Å; L467-L471 HydrophobicContact CD2-CD1 3.69Å; L467-L471 HydrophobicContact CD2-CG 4.42Å; L467-L471 WeakPolarHBondContact O-CG 3.16Å; L467-L471 PolarHBondContact O-N 3.44Å; L467-L471 VanDerWaalsContact O-N 3.08Å
468V61Low58.7Low28 Ų2876.4 Ų76.417%0.1744%0.441CS..Hα-helixtrans-62.2-49173.8173.10000110.6Y464 L465 A470 L471 V472Y464-V468 HydrophobicContact CD1-CG2 4.17Å; Y464-V468 HydrophobicContact CE1-CG2 3.77Å; Y464-V468 WeakPolarHBondContact O-CG2 3.13Å; Y464-V468 PolarHBondContact O-N 2.86Å; L465-V468 PolarHBondContact O-N 3.01Å; V468-A470 VanDerWaalsContact C-N 3.27Å; V468-A470 PolarHBondContact O-N 3.44Å; V468-L471 PolarHBondContact O-N 2.88Å; V468-L471 VanDerWaalsContact O-N 3.1Å; V468-V472 WeakPolarHBondContact O-CG2 3.31Å; V468-V472 PolarHBondContact O-N 3.29Å
469L60.5Low58.9Low108 Ų10874.9 Ų74.957%0.56543%0.426SS*.Hα-helixtrans-63-31.1178.3-73.9170.7000112.8L465 G466 P473L465-L469 HydrophobicContact CG-CD1 4.06Å; L465-L469 HydrophobicContact CG-CG 4.5Å; L465-L469 WeakPolarHBondContact O-CB 3.47Å; L465-L469 VanDerWaalsContact O-CG 3.27Å; L465-L469 WeakPolarHBondContact O-CG 3.28Å; L465-L469 PolarHBondContact O-N 2.98Å; G466-L469 PolarHBondContact O-N 3.04Å; L469-P473 WeakPolarHBondContact O-CD 3.27Å
470A62.8Low58.9Low66 Ų6671.2 Ų71.255%0.54543%0.425SS..Hα-helixtrans-72.4-31.4174.200000112.9G466 L467 V468G466-A470 VanDerWaalsContact O-CB 3.29Å; G466-A470 WeakPolarHBondContact O-CB 3.31Å; G466-A470 PolarHBondContact O-N 3.4Å; L467-A470 PolarHBondContact O-N 3.43Å; V468-A470 VanDerWaalsContact C-N 3.27Å; V468-A470 PolarHBondContact O-N 3.44Å
471L62.3Low58.9Low78 Ų7874.2 Ų74.241%0.40845%0.446SS..Hα-helixtrans-78.8-31.3177.9-73172.9000112.8L467 V468 V474 F475L467-L471 HydrophobicContact CD2-CD1 3.69Å; L467-L471 HydrophobicContact CD2-CG 4.42Å; L467-L471 WeakPolarHBondContact O-CG 3.16Å; L467-L471 PolarHBondContact O-N 3.44Å; L467-L471 VanDerWaalsContact O-N 3.08Å; V468-L471 PolarHBondContact O-N 2.88Å; V468-L471 VanDerWaalsContact O-N 3.1Å; L471-V474 WeakPolarHBondContact O-CB 3.5Å; L471-V474 PolarHBondContact O-N 3.13Å; L471-F475 HydrophobicContact CB-CD2 4.15Å; L471-F475 HydrophobicContact CB-CE2 4.19Å; L471-F475 VanDerWaalsContact O-CD2 3.31Å; L471-F475 WeakPolarHBondContact O-CD2 3.46Å; L471-F475 PolarHBondContact O-N 2.9Å
472V62.2Low58.9Low50 Ų5077.7 Ų77.730%0.30346%0.462SS..Hα-helixtrans-53.5-48.8-178.6167.40000112.8V468 V474 F475 I476V468-V472 WeakPolarHBondContact O-CG2 3.31Å; V468-V472 PolarHBondContact O-N 3.29Å; V472-V474 VanDerWaalsContact C-N 3.31Å; V472-V474 PolarHBondContact O-N 2.95Å; V472-F475 PolarHBondContact O-N 2.84Å; V472-I476 HydrophobicContact CG1-CD1 3.69Å; V472-I476 HydrophobicContact CG1-CG1 4.34Å; V472-I476 VanDerWaalsContact O-CG1 3.27Å; V472-I476 WeakPolarHBondContact O-CG1 3.23Å; V472-I476 PolarHBondContact O-N 3.38Å
473P59Low58.8Low76 Ų7685.6 Ų85.649%0.49448%0.48SS..Hα-helixtrans-62.2-34175.2-23.832.9000114L469 I476 A477L469-P473 WeakPolarHBondContact O-CD 3.27Å; P473-I476 PolarHBondContact O-N 2.95Å; P473-A477 VanDerWaalsContact O-CB 3.28Å; P473-A477 WeakPolarHBondContact O-CB 3.23Å; P473-A477 PolarHBondContact O-N 3.21Å
474V61.7Low58.8Low91 Ų9184.5 Ų84.555%0.55248%0.475SS*.Hα-helixtrans-67.9-43177.4179.30000110.2L471 V472 A477 A478L471-V474 WeakPolarHBondContact O-CB 3.5Å; L471-V474 PolarHBondContact O-N 3.13Å; V472-V474 VanDerWaalsContact C-N 3.31Å; V472-V474 PolarHBondContact O-N 2.95Å; V474-A477 PolarHBondContact O-N 3.48Å; V474-A478 WeakPolarHBondContact O-CB 3.31Å; V474-A478 PolarHBondContact O-N 3.44Å
475F61.1Low58.5Low65 Ų6590 Ų9029%0.28550%0.5SS..Hα-helixtrans-64.6-45.8173.1-83.1-77.2000111.4L471 V472 A477 A478 T479 L492 V537L471-F475 HydrophobicContact CB-CD2 4.15Å; L471-F475 HydrophobicContact CB-CE2 4.19Å; L471-F475 VanDerWaalsContact O-CD2 3.31Å; L471-F475 WeakPolarHBondContact O-CD2 3.46Å; L471-F475 PolarHBondContact O-N 2.9Å; V472-F475 PolarHBondContact O-N 2.84Å; F475-A477 VanDerWaalsContact C-N 3.34Å; F475-A477 PolarHBondContact O-N 3.31Å; F475-A478 PolarHBondContact O-N 2.78Å; F475-T479 WeakPolarHBondContact O-CB 3.45Å; F475-T479 PolarHBondContact O-N 3.36Å; F475-T479 PolarHBondContact O-OG1 3.22Å; F475-L492 HydrophobicContact CB-CD2 4Å; F475-V537 HydrophobicContact CZ-CG1 4.22Å
476I58.4Low58.4Low79 Ų7989.6 Ų89.641%0.40550%0.503SS..Hα-helixtrans-56.2-48.6175-69.6168.5000110.1V472 P473 A478 T479 V480 L492V472-I476 HydrophobicContact CG1-CD1 3.69Å; V472-I476 HydrophobicContact CG1-CG1 4.34Å; V472-I476 VanDerWaalsContact O-CG1 3.27Å; V472-I476 WeakPolarHBondContact O-CG1 3.23Å; V472-I476 PolarHBondContact O-N 3.38Å; P473-I476 PolarHBondContact O-N 2.95Å; I476-A478 PolarHBondContact O-N 2.87Å; I476-T479 VanDerWaalsContact CA-OG1 3.24Å; I476-T479 WeakPolarHBondContact CA-OG1 3.3Å; I476-T479 CarbonylContact O-C 3.52Å; I476-T479 PolarHBondContact O-N 3.49Å; I476-T479 VanDerWaalsContact O-N 3.16Å; I476-T479 PolarHBondContact O-OG1 3.39Å; I476-V480 HydrophobicContact CG2-CG2 4.08Å; I476-V480 VanDerWaalsContact O-CG2 3.27Å; I476-V480 WeakPolarHBondContact O-CG2 3.14Å; I476-V480 PolarHBondContact O-N 2.96Å; I476-L492 HydrophobicContact CG1-CD1 4.46Å
477A57.3Low58Low58 Ų5889.8 Ų89.848%0.47950%0.496SS..Hα-helixtrans-61.8-44.3178.700000112.4P473 V474 F475 T479 V480 V481P473-A477 VanDerWaalsContact O-CB 3.28Å; P473-A477 WeakPolarHBondContact O-CB 3.23Å; P473-A477 PolarHBondContact O-N 3.21Å; V474-A477 PolarHBondContact O-N 3.48Å; F475-A477 VanDerWaalsContact C-N 3.34Å; F475-A477 PolarHBondContact O-N 3.31Å; A477-T479 VanDerWaalsContact C-N 3.25Å; A477-T479 PolarHBondContact O-N 3.45Å; A477-V480 PolarHBondContact O-N 2.95Å; A477-V481 PolarHBondContact O-N 2.92Å
478A56.4Low57.6Low56 Ų5686 Ų8646%0.46348%0.477SS..Hα-helixtrans-62.4-34.6175.300000112V474 F475 I476V474-A478 WeakPolarHBondContact O-CB 3.31Å; V474-A478 PolarHBondContact O-N 3.44Å; F475-A478 PolarHBondContact O-N 2.78Å; I476-A478 PolarHBondContact O-N 2.87Å
479T53.8Low57.4Low18 Ų1890.8 Ų90.811%0.1150%0.502CS..Hα-helixtrans-82.4-26.3176.649.80000114.5F475 I476 A477 V481 L482 V488F475-T479 WeakPolarHBondContact O-CB 3.45Å; F475-T479 PolarHBondContact O-N 3.36Å; F475-T479 PolarHBondContact O-OG1 3.22Å; I476-T479 VanDerWaalsContact CA-OG1 3.24Å; I476-T479 WeakPolarHBondContact CA-OG1 3.3Å; I476-T479 CarbonylContact O-C 3.52Å; I476-T479 PolarHBondContact O-N 3.49Å; I476-T479 VanDerWaalsContact O-N 3.16Å; I476-T479 PolarHBondContact O-OG1 3.39Å; A477-T479 VanDerWaalsContact C-N 3.25Å; A477-T479 PolarHBondContact O-N 3.45Å; T479-V481 PolarHBondContact O-N 3.42Å; T479-L482 CarbonylContact O-C 3.57Å; T479-L482 VanDerWaalsContact O-C 3.29Å; T479-L482 WeakPolarHBondContact O-CA 3.13Å; T479-L482 WeakPolarHBondContact O-CB 3.27Å; T479-L482 PolarHBondContact O-N 3.26Å; T479-V488 VanDerWaalsContact CB-CG1 3.46Å; T479-V488 HydrophobicContact CG2-CB 4.42Å; T479-V488 HydrophobicContact CG2-CG1 3.86Å; T479-V488 HydrophobicContact CG2-CG2 4.02Å; T479-V488 WeakPolarHBondContact OG1-CG1 3.41Å
480V51.5Low57.2Low112 Ų11292.4 Ų92.468%0.67951%0.51SS*.Hα-helixtrans-67.8-24.6173167.30000111.1I476 A477 L482I476-V480 HydrophobicContact CG2-CG2 4.08Å; I476-V480 VanDerWaalsContact O-CG2 3.27Å; I476-V480 WeakPolarHBondContact O-CG2 3.14Å; I476-V480 PolarHBondContact O-N 2.96Å; A477-V480 PolarHBondContact O-N 2.95Å; V480-L482 PolarHBondContact O-N 3.33Å
481V55.4Low56.9Low124 Ų12491.2 Ų91.275%0.75250%0.496SS*.THydrogen-bonded Turntrans-69.4-22.8167.9176.80000111.8A477 T479A477-V481 PolarHBondContact O-N 2.92Å; T479-V481 PolarHBondContact O-N 3.42Å
482L54Low56.8Low118 Ų11888.5 Ų88.562%0.61848%0.482SS*.SBendtrans-9897.5174.8-65.8165.1000109.2T479 V480 D484T479-L482 CarbonylContact O-C 3.57Å; T479-L482 VanDerWaalsContact O-C 3.29Å; T479-L482 WeakPolarHBondContact O-CA 3.13Å; T479-L482 WeakPolarHBondContact O-CB 3.27Å; T479-L482 PolarHBondContact O-N 3.26Å; V480-L482 PolarHBondContact O-N 3.33Å; L482-D484 PolarHBondContact O-N 2.83Å
483R55.5Low56.8Low251 Ų25191.2 Ų91.295%0.94749%0.494SS*.  trans-52.76.3-165.6-98.6178.3176.3-177.9-1.3119.8
484D57Low56.8Low87 Ų8789.7 Ų89.747%0.46548%0.484SS..  trans-118.895.2-169.2-162.525.5000113.9L482 P486 T487 V488L482-D484 PolarHBondContact O-N 2.83Å; D484-P486 VanDerWaalsContact C-CD 3.47Å; D484-P486 WeakPolarHBondContact OD1-CD 3.38Å; D484-T487 PolarHBondContact O-N 3.13Å; D484-T487 PolarHBondContact OD2-OG1 2.8Å; D484-V488 WeakPolarHBondContact O-CG2 3.33Å; D484-V488 PolarHBondContact O-N 3.41Å
485K53.6Low56.7Low185 Ų18586.9 Ų86.980%0.80447%0.467SS*.Hα-helixtrans-54.6-39.9-173.1-72.7-179.8177.2175.90116.8
486P57.7Low56.7Low87 Ų8787.8 Ų87.857%0.56547%0.474SS*.Hα-helixtrans-73-35.1179.826.1-31.9000112.4D484 V488 L489 L490D484-P486 VanDerWaalsContact C-CD 3.47Å; D484-P486 WeakPolarHBondContact OD1-CD 3.38Å; P486-V488 VanDerWaalsContact C-N 3.31Å; P486-V488 PolarHBondContact O-N 3.17Å; P486-L489 PolarHBondContact O-N 3.25Å; P486-L490 PolarHBondContact O-N 2.7Å; P486-L490 VanDerWaalsContact O-N 3.14Å
487T55.1Low56.8Low41 Ų4188.7 Ų88.725%0.25248%0.479SS..Hα-helixtrans-65.2-38.3179.4-540000110.7D484 L489 L490 V491 F548D484-T487 PolarHBondContact O-N 3.13Å; D484-T487 PolarHBondContact OD2-OG1 2.8Å; T487-L489 PolarHBondContact O-N 2.84Å; T487-L490 PolarHBondContact O-N 2.91Å; T487-V491 WeakPolarHBondContact O-CB 3.43Å; T487-V491 WeakPolarHBondContact O-CG2 3.31Å; T487-V491 PolarHBondContact O-N 3.1Å; T487-F548 HydrophobicContact CG2-CE2 4.2Å; T487-F548 HydrophobicContact CG2-CZ 3.71Å
488V54.5Low57Low27 Ų2790.4 Ų90.416%0.16448%0.476CS..Hα-helixtrans-62-43.2175.8172.10000112.6T479 D484 P486 V491 L492T479-V488 VanDerWaalsContact CB-CG1 3.46Å; T479-V488 HydrophobicContact CG2-CB 4.42Å; T479-V488 HydrophobicContact CG2-CG1 3.86Å; T479-V488 HydrophobicContact CG2-CG2 4.02Å; T479-V488 WeakPolarHBondContact OG1-CG1 3.41Å; D484-V488 WeakPolarHBondContact O-CG2 3.33Å; D484-V488 PolarHBondContact O-N 3.41Å; P486-V488 VanDerWaalsContact C-N 3.31Å; P486-V488 PolarHBondContact O-N 3.17Å; V488-V491 PolarHBondContact O-N 3.3Å; V488-L492 HydrophobicContact CG1-CD1 3.69Å; V488-L492 HydrophobicContact CG1-CG 4.47Å; V488-L492 WeakPolarHBondContact O-CB 3.37Å; V488-L492 WeakPolarHBondContact O-CG 3.29Å; V488-L492 PolarHBondContact O-N 3.05Å
489L55.2Low57.2Low130 Ų13088.8 Ų88.868%0.68146%0.461SS*.Hα-helixtrans-67.5-39.1179.3-16277.4000111.5P486 T487 V491 L492 L493P486-L489 PolarHBondContact O-N 3.25Å; T487-L489 PolarHBondContact O-N 2.84Å; L489-V491 VanDerWaalsContact C-N 3.28Å; L489-V491 PolarHBondContact O-N 3.41Å; L489-L492 PolarHBondContact O-N 2.87Å; L489-L493 WeakPolarHBondContact O-CB 3.47Å; L489-L493 PolarHBondContact O-N 2.92Å
490L58Low57.6Low141 Ų14191.8 Ų91.874%0.73848%0.476SS*.Hα-helixtrans-66.3-31.2177.7-152107.2000112.3P486 T487 P494P486-L490 PolarHBondContact O-N 2.7Å; P486-L490 VanDerWaalsContact O-N 3.14Å; T487-L490 PolarHBondContact O-N 2.91Å; L490-P494 WeakPolarHBondContact O-CD 3.44Å
491V56.3Low58Low41 Ų4189.4 Ų89.425%0.24846%0.459CS..Hα-helixtrans-82.4-31.6177.9173.60000112.4T487 V488 L489 P494 I544T487-V491 WeakPolarHBondContact O-CB 3.43Å; T487-V491 WeakPolarHBondContact O-CG2 3.31Å; T487-V491 PolarHBondContact O-N 3.1Å; V488-V491 PolarHBondContact O-N 3.3Å; L489-V491 VanDerWaalsContact C-N 3.28Å; L489-V491 PolarHBondContact O-N 3.41Å; V491-P494 WeakPolarHBondContact O-CD 3.45Å; V491-I544 HydrophobicContact CB-CD1 4.46Å; V491-I544 HydrophobicContact CG1-CD1 3.92Å; V491-I544 HydrophobicContact CG2-CD1 3.76Å
492L60.2Low58.1Low21 Ų2184.8 Ų84.811%0.1143%0.432CS..Hα-helixtrans-79.1-30.4177.8-75.8168.4000113.1F475 I476 V488 L489 V495 I496F475-L492 HydrophobicContact CB-CD2 4Å; I476-L492 HydrophobicContact CG1-CD1 4.46Å; V488-L492 HydrophobicContact CG1-CD1 3.69Å; V488-L492 HydrophobicContact CG1-CG 4.47Å; V488-L492 WeakPolarHBondContact O-CB 3.37Å; V488-L492 WeakPolarHBondContact O-CG 3.29Å; V488-L492 PolarHBondContact O-N 3.05Å; L489-L492 PolarHBondContact O-N 2.87Å; L492-V495 PolarHBondContact O-N 3.05Å; L492-V495 VanDerWaalsContact O-N 3.13Å; L492-I496 HydrophobicContact CB-CD1 4.21Å; L492-I496 WeakPolarHBondContact O-CB 3.46Å; L492-I496 VanDerWaalsContact O-CG1 3.28Å; L492-I496 WeakPolarHBondContact O-CG1 3.21Å; L492-I496 PolarHBondContact O-N 3.21Å
493L61.3Low58.2Low108 Ų10880.6 Ų80.657%0.56541%0.414SS*.Hα-helixtrans-57.2-46.5-177.6-169.796.9000113.1L489 I496 L497L489-L493 WeakPolarHBondContact O-CB 3.47Å; L489-L493 PolarHBondContact O-N 2.92Å; L493-I496 PolarHBondContact O-N 3.23Å; L493-L497 HydrophobicContact CD2-CD1 4.09Å; L493-L497 HydrophobicContact CG-CD1 3.98Å; L493-L497 WeakPolarHBondContact O-CB 3.36Å; L493-L497 WeakPolarHBondContact O-CG 3.48Å; L493-L497 PolarHBondContact O-N 3.31Å
494P59.5Low58.5Low44 Ų4474.1 Ų74.129%0.28640%0.397SS..Hα-helixtrans-63.3-41.3174.5-2031.9000112L490 V491 I496 L497 F498L490-P494 WeakPolarHBondContact O-CD 3.44Å; V491-P494 WeakPolarHBondContact O-CD 3.45Å; P494-I496 VanDerWaalsContact C-N 3.33Å; P494-I496 PolarHBondContact O-N 3.45Å; P494-L497 PolarHBondContact O-N 3.36Å; P494-F498 HydrophobicContact CB-CD2 4.27Å; P494-F498 VanDerWaalsContact O-CB 3.31Å; P494-F498 WeakPolarHBondContact O-CB 3.36Å; P494-F498 WeakPolarHBondContact O-CD2 3.38Å; P494-F498 PolarHBondContact O-N 3.35Å
495V58.7Low58.5Low32 Ų3272 Ų7219%0.19438%0.384CS..Hα-helixtrans-63.9-40.8-179.6-178.80000110.9L492 S499 V537L492-V495 PolarHBondContact O-N 3.05Å; L492-V495 VanDerWaalsContact O-N 3.13Å; V495-S499 VanDerWaalsContact O-CB 3.27Å; V495-S499 WeakPolarHBondContact O-CB 3.46Å; V495-S499 PolarHBondContact O-N 3.06Å; V495-S499 PolarHBondContact O-OG 2.82Å; V495-V537 HydrophobicContact CG1-CG1 4.15Å; V495-V537 HydrophobicContact CG1-CG2 4.25Å; V495-V537 HydrophobicContact CG2-CG1 4.09Å; V495-V537 HydrophobicContact CG2-CG2 4.27Å
496I60.9Low58.6Low83 Ų8364 Ų6443%0.42635%0.352SS..Hα-helixtrans-66.4-45.2175-66.1166000110.3L492 L493 P494 S499 L500L492-I496 HydrophobicContact CB-CD1 4.21Å; L492-I496 WeakPolarHBondContact O-CB 3.46Å; L492-I496 VanDerWaalsContact O-CG1 3.28Å; L492-I496 WeakPolarHBondContact O-CG1 3.21Å; L492-I496 PolarHBondContact O-N 3.21Å; L493-I496 PolarHBondContact O-N 3.23Å; P494-I496 VanDerWaalsContact C-N 3.33Å; P494-I496 PolarHBondContact O-N 3.45Å; I496-S499 WeakPolarHBondContact CA-OG 3.06Å; I496-S499 PolarHBondContact O-N 3.01Å; I496-S499 PolarHBondContact O-OG 3.14Å; I496-L500 HydrophobicContact CG2-CD1 4.38Å; I496-L500 WeakPolarHBondContact O-CG 3.2Å; I496-L500 PolarHBondContact O-N 3.36Å
497L61.8Low58.5Low99 Ų9963.4 Ų63.452%0.51835%0.347SS..Hα-helixtrans-63.8-43.7177.3-78.3163.3000112.7L493 P494 L500 L501L493-L497 HydrophobicContact CD2-CD1 4.09Å; L493-L497 HydrophobicContact CG-CD1 3.98Å; L493-L497 WeakPolarHBondContact O-CB 3.36Å; L493-L497 WeakPolarHBondContact O-CG 3.48Å; L493-L497 PolarHBondContact O-N 3.31Å; P494-L497 PolarHBondContact O-N 3.36Å; L497-L500 PolarHBondContact O-N 3.48Å; L497-L501 PolarHBondContact O-N 2.96Å
498F60.3Low58.7Low94 Ų9467.9 Ų67.941%0.41236%0.36SS..Hα-helixtrans-72.1-29.4179.3-83.4-71.4000113P494 L500 L501 P502 T533P494-F498 HydrophobicContact CB-CD2 4.27Å; P494-F498 VanDerWaalsContact O-CB 3.31Å; P494-F498 WeakPolarHBondContact O-CB 3.36Å; P494-F498 WeakPolarHBondContact O-CD2 3.38Å; P494-F498 PolarHBondContact O-N 3.35Å; F498-L500 VanDerWaalsContact C-N 3.29Å; F498-L501 HydrophobicContact CD1-CD1 3.59Å; F498-L501 HydrophobicContact CE1-CD1 3.95Å; F498-L501 HydrophobicContact CG-CD1 4.39Å; F498-L501 PolarHBondContact O-N 2.91Å; F498-P502 VanDerWaalsContact O-CD 3.28Å; F498-P502 WeakPolarHBondContact O-CD 3.46Å; F498-T533 HydrophobicContact CB-CG2 4.36Å; F498-T533 HydrophobicContact CD1-CG2 4.23Å
499S61Low58.6Low22 Ų2268.1 Ų68.115%0.15436%0.362CS..Hα-helixtrans-74.1-19.2172.460.70000113.2Y464 V495 I496Y464-S499 WeakPolarHBondContact CE1-O 3.34Å; V495-S499 VanDerWaalsContact O-CB 3.27Å; V495-S499 WeakPolarHBondContact O-CB 3.46Å; V495-S499 PolarHBondContact O-N 3.06Å; V495-S499 PolarHBondContact O-OG 2.82Å; I496-S499 WeakPolarHBondContact CA-OG 3.06Å; I496-S499 PolarHBondContact O-N 3.01Å; I496-S499 PolarHBondContact O-OG 3.14Å
500L62.1Low58.5Low81 Ų8164.6 Ų64.642%0.42435%0.351SS..Hα-helixtrans-83.3-20.9173.2-70168.7000113.3I496 L497 F498 A503 I504I496-L500 HydrophobicContact CG2-CD1 4.38Å; I496-L500 WeakPolarHBondContact O-CG 3.2Å; I496-L500 PolarHBondContact O-N 3.36Å; L497-L500 PolarHBondContact O-N 3.48Å; F498-L500 VanDerWaalsContact C-N 3.29Å; L500-A503 WeakPolarHBondContact O-CB 3.42Å; L500-A503 PolarHBondContact O-N 2.77Å; L500-A503 VanDerWaalsContact O-N 3.13Å; L500-I504 HydrophobicContact CB-CD1 4.44Å; L500-I504 WeakPolarHBondContact O-CG1 3.27Å; L500-I504 PolarHBondContact O-N 3.36Å
501L61.2Low58.4Low61 Ų6164.8 Ų64.832%0.31935%0.348SS..Hα-helixtrans-57.8-46.3-178.2-108.2142.1000113.5L497 F498 A503 I504 Q505L497-L501 PolarHBondContact O-N 2.96Å; F498-L501 HydrophobicContact CD1-CD1 3.59Å; F498-L501 HydrophobicContact CE1-CD1 3.95Å; F498-L501 HydrophobicContact CG-CD1 4.39Å; F498-L501 PolarHBondContact O-N 2.91Å; L501-A503 VanDerWaalsContact C-N 3.29Å; L501-A503 PolarHBondContact O-N 3.49Å; L501-I504 PolarHBondContact O-N 2.85Å; L501-Q505 WeakPolarHBondContact O-CB 3.49Å; L501-Q505 WeakPolarHBondContact O-CG 3.48Å; L501-Q505 PolarHBondContact O-N 3.3Å
502P56.9Low57.9Low27 Ų2768.9 Ų68.918%0.17536%0.363CS..Hα-helixtrans-61.8-35.6175.1-2737.6000113.1Y464 F498 S506Y464-P502 HydrophobicContact CE1-CB 4.28Å; Y464-P502 HydrophobicContact CE1-CG 4.41Å; F498-P502 VanDerWaalsContact O-CD 3.28Å; F498-P502 WeakPolarHBondContact O-CD 3.46Å; P502-S506 WeakPolarHBondContact O-CB 3.38Å; P502-S506 PolarHBondContact O-N 2.92Å; P502-S506 PolarHBondContact O-OG 3.02Å
503A56.7Low57.6Low31 Ų3175.3 Ų75.326%0.25639%0.386SS..Hα-helixtrans-69.6-36.5176.200000112.3L500 L501 S506 V507L500-A503 WeakPolarHBondContact O-CB 3.42Å; L500-A503 PolarHBondContact O-N 2.77Å; L500-A503 VanDerWaalsContact O-N 3.13Å; L501-A503 VanDerWaalsContact C-N 3.29Å; L501-A503 PolarHBondContact O-N 3.49Å; A503-S506 PolarHBondContact O-OG 3.38Å; A503-V507 VanDerWaalsContact O-CG2 3.3Å; A503-V507 WeakPolarHBondContact O-CG2 3.41Å; A503-V507 PolarHBondContact O-N 2.95Å
504I60Low57Low114 Ų11476.6 Ų76.659%0.58539%0.39SS*.Hα-helixtrans-70.9-43.9175.9-66.3166.2000110.7L500 L501 V507 Y508L500-I504 HydrophobicContact CB-CD1 4.44Å; L500-I504 WeakPolarHBondContact O-CG1 3.27Å; L500-I504 PolarHBondContact O-N 3.36Å; L501-I504 PolarHBondContact O-N 2.85Å; I504-V507 PolarHBondContact O-N 3.47Å; I504-Y508 PolarHBondContact O-N 3.33Å
505Q58Low56.4Low42 Ų4281.8 Ų81.820%0.19641%0.41CS..Hα-helixtrans-69.9-35-179.9-74.2-176.8-18.900112.2L501 V507 Y508 V509L501-Q505 WeakPolarHBondContact O-CB 3.49Å; L501-Q505 WeakPolarHBondContact O-CG 3.48Å; L501-Q505 PolarHBondContact O-N 3.3Å; Q505-V507 VanDerWaalsContact C-N 3.31Å; Q505-V507 PolarHBondContact O-N 3.06Å; Q505-Y508 PolarHBondContact O-N 2.9Å; Q505-V509 WeakPolarHBondContact O-CB 3.18Å; Q505-V509 VanDerWaalsContact O-CG2 3.32Å; Q505-V509 WeakPolarHBondContact O-CG2 3.34Å; Q505-V509 PolarHBondContact O-N 2.73Å
506S55.1Low55.4Low18 Ų1885.4 Ų85.413%0.12643%0.432CS..Hα-helixtrans-62.8-39.9175.375.20000111.1F457 P502 A503 V509 A510F457-S506 VanDerWaalsContact CE2-CB 3.48Å; F457-S506 WeakPolarHBondContact CE2-O 3.27Å; F457-S506 WeakPolarHBondContact CZ-OG 3.39Å; P502-S506 WeakPolarHBondContact O-CB 3.38Å; P502-S506 PolarHBondContact O-N 2.92Å; P502-S506 PolarHBondContact O-OG 3.02Å; A503-S506 PolarHBondContact O-OG 3.38Å; S506-V509 PolarHBondContact O-N 3.46Å; S506-A510 VanDerWaalsContact O-CB 3.26Å; S506-A510 WeakPolarHBondContact O-CB 3.47Å; S506-A510 PolarHBondContact O-N 3.35Å
507V56.1Low54.6Low74 Ų7484.3 Ų84.345%0.44844%0.441SS..Hα-helixtrans-64.1-41.5172.6173.10000111.6A503 I504 Q505 A510 Q511A503-V507 VanDerWaalsContact O-CG2 3.3Å; A503-V507 WeakPolarHBondContact O-CG2 3.41Å; A503-V507 PolarHBondContact O-N 2.95Å; I504-V507 PolarHBondContact O-N 3.47Å; Q505-V507 VanDerWaalsContact C-N 3.31Å; Q505-V507 PolarHBondContact O-N 3.06Å; V507-A510 PolarHBondContact O-N 3.1Å; V507-Q511 WeakPolarHBondContact O-CG 3Å; V507-Q511 PolarHBondContact O-N 3.08Å
508Y59.2Low53.9Low135 Ų13584.3 Ų84.353%0.52944%0.441SS..Hα-helixtrans-65.2-43.6177.1179.6-103.5000112.6I504 Q505 Q511 K512I504-Y508 PolarHBondContact O-N 3.33Å; Q505-Y508 PolarHBondContact O-N 2.9Å; Y508-Q511 PolarHBondContact O-N 3.36Å; Y508-K512 HydrophobicContact CE1-CD 3.91Å; Y508-K512 VanDerWaalsContact O-CB 3.3Å; Y508-K512 WeakPolarHBondContact O-CB 3.31Å; Y508-K512 PolarHBondContact O-N 2.93Å; Y508-K512 PolarHBondContact OH-NZ 2.91Å
509V53.2Low53.4Low33 Ų3385 Ų8520%0.245%0.449CS..Hα-helixtrans-65.2-42.5176.5171.80000110.4Q505 S506 Q511 K512 Y513 F522Q505-V509 WeakPolarHBondContact O-CB 3.18Å; Q505-V509 VanDerWaalsContact O-CG2 3.32Å; Q505-V509 WeakPolarHBondContact O-CG2 3.34Å; Q505-V509 PolarHBondContact O-N 2.73Å; S506-V509 PolarHBondContact O-N 3.46Å; V509-Q511 VanDerWaalsContact C-N 3.29Å; V509-Q511 PolarHBondContact O-N 3.04Å; V509-K512 PolarHBondContact O-N 2.9Å; V509-Y513 HydrophobicContact CB-CD2 4.44Å; V509-Y513 HydrophobicContact CG1-CD2 3.78Å; V509-Y513 HydrophobicContact CG1-CE2 4.33Å; V509-Y513 WeakPolarHBondContact O-CD2 3.26Å; V509-Y513 PolarHBondContact O-N 2.97Å; V509-F522 HydrophobicContact CG1-CD2 4.42Å
510A53.1Low52.7Low56 Ų5689.5 Ų89.546%0.46347%0.471SS..Hα-helixtrans-62.4-33.8175.700000113F457 S506 V507F457-A510 HydrophobicContact CE2-CB 4.16Å; F457-A510 HydrophobicContact CZ-CB 4.22Å; S506-A510 VanDerWaalsContact O-CB 3.26Å; S506-A510 WeakPolarHBondContact O-CB 3.47Å; S506-A510 PolarHBondContact O-N 3.35Å; V507-A510 PolarHBondContact O-N 3.1Å
511Q54Low52.1Low145 Ų14590.8 Ų90.868%0.67848%0.477SS*.Hα-helixtrans-75.1-36.4174.5-78.2-178-18.200113V507 Y508 V509V507-Q511 WeakPolarHBondContact O-CG 3Å; V507-Q511 PolarHBondContact O-N 3.08Å; Y508-Q511 PolarHBondContact O-N 3.36Å; V509-Q511 VanDerWaalsContact C-N 3.29Å; V509-Q511 PolarHBondContact O-N 3.04Å
512K47.9Very low51.7Low127 Ų12790.6 Ų90.655%0.55247%0.474SS*.Hα-helixtrans-84-33.5-173.2-169.4170.2-177.7174.80113.5Y508 V509Y508-K512 HydrophobicContact CE1-CD 3.91Å; Y508-K512 VanDerWaalsContact O-CB 3.3Å; Y508-K512 WeakPolarHBondContact O-CB 3.31Å; Y508-K512 PolarHBondContact O-N 2.93Å; Y508-K512 PolarHBondContact OH-NZ 2.91Å; V509-K512 PolarHBondContact O-N 2.9Å
513Y52.1Low51.5Low155 Ų15594.2 Ų94.261%0.60849%0.485SS*.  trans-105.184.3-176.7-66.6-87.7000110.7V509 H515V509-Y513 HydrophobicContact CB-CD2 4.44Å; V509-Y513 HydrophobicContact CG1-CD2 3.78Å; V509-Y513 HydrophobicContact CG1-CE2 4.33Å; V509-Y513 WeakPolarHBondContact O-CD2 3.26Å; V509-Y513 PolarHBondContact O-N 2.97Å; Y513-H515 PolarHBondContact O-N 2.87Å
514Q49.4Very low51.4Low136 Ų13698.5 Ų98.564%0.63650%0.5SS*.  trans-73.9-0.9172.8-72.3-168.2-800114
515H46.3Very low51.1Low153 Ų15398.3 Ų98.371%0.70849%0.492SS*.SBendtrans-137.3138-173.1-75.1-69.6000113.4Y513Y513-H515 PolarHBondContact O-N 2.87Å
516V37.5Very low50.8Low107 Ų10798.3 Ų98.365%0.64849%0.494SS*.  trans-50143.7175.5-170.90000112.1T449T449-V516 HydrophobicContact CG2-CG2 4.15Å
517G45.3Very low50.8Low61 Ų61102.4 Ų102.463%0.62951%0.513SS*.  trans-164.5-68.7167.500000112.5
518D47.4Very low50.8Low98 Ų98101 Ų10152%0.52451%0.513SS..  trans-14498.6-173.3-82.3-51000111.2L520 L521 F522D518-L520 PolarHBondContact O-N 3.02Å; D518-L520 VanDerWaalsContact O-N 3.1Å; D518-L521 HydrophobicContact CB-CB 3.76Å; D518-L521 HydrophobicContact CB-CD1 3.7Å; D518-L521 HydrophobicContact CB-CG 4.26Å; D518-L521 PolarHBondContact O-N 3.18Å; D518-L521 WeakPolarHBondContact OD2-CD1 2.99Å; D518-F522 PolarHBondContact O-N 2.61Å
519L48.6Very low50.6Low109 Ų109100.1 Ų100.157%0.57151%0.509SS*.Hα-helixtrans-49.2-32.3162.8-137.683.5000110F522 Y523L519-F522 WeakPolarHBondContact O-CB 3.07Å; L519-F522 PolarHBondContact O-N 2.95Å; L519-Y523 HydrophobicContact CD2-CD2 4.47Å; L519-Y523 HydrophobicContact CD2-CE2 3.79Å; L519-Y523 HydrophobicContact CG-CD2 4.37Å; L519-Y523 HydrophobicContact CG-CE2 4.03Å; L519-Y523 WeakPolarHBondContact O-CD2 3.38Å; L519-Y523 PolarHBondContact O-N 3.07Å
520L47Very low50.8Low117 Ų117100 Ų10061%0.61351%0.508SS*.Hα-helixtrans-64.9-44.6177.3-15588.8000113.5D518 F522 Y523 Q524D518-L520 PolarHBondContact O-N 3.02Å; D518-L520 VanDerWaalsContact O-N 3.1Å; L520-F522 VanDerWaalsContact C-N 3.28Å; L520-F522 PolarHBondContact O-N 2.97Å; L520-Y523 PolarHBondContact O-N 3.23Å; L520-Q524 WeakPolarHBondContact O-CB 3.33Å; L520-Q524 WeakPolarHBondContact O-CG 3.41Å; L520-Q524 PolarHBondContact O-N 3.13Å
521L50.2Low51Low107 Ų107102.5 Ų102.556%0.5651%0.513SS*.Hα-helixtrans-65.2-36.5175.6-103.8139.4000110.8D518 Q524 Y525D518-L521 HydrophobicContact CB-CB 3.76Å; D518-L521 HydrophobicContact CB-CD1 3.7Å; D518-L521 HydrophobicContact CB-CG 4.26Å; D518-L521 PolarHBondContact O-N 3.18Å; D518-L521 WeakPolarHBondContact OD2-CD1 2.99Å; L521-Q524 PolarHBondContact O-N 2.91Å; L521-Y525 WeakPolarHBondContact O-CB 3.36Å; L521-Y525 PolarHBondContact O-N 2.71Å
522F51.4Low51.1Low57 Ų5799 Ų9925%0.2550%0.503CS..Hα-helixtrans-64.6-46173.2176.7-100.3000112F457 M460 V509 D518 L519 L520 Y525 I526F457-F522 HydrophobicContact CD2-CZ 4.37Å; M460-F522 HydrophobicContact SD-CE1 4.12Å; V509-F522 HydrophobicContact CG1-CD2 4.42Å; D518-F522 PolarHBondContact O-N 2.61Å; L519-F522 WeakPolarHBondContact O-CB 3.07Å; L519-F522 PolarHBondContact O-N 2.95Å; L520-F522 VanDerWaalsContact C-N 3.28Å; L520-F522 PolarHBondContact O-N 2.97Å; F522-Y525 WeakPolarHBondContact O-CB 3.25Å; F522-Y525 PolarHBondContact O-N 3.13Å; F522-I526 HydrophobicContact CD1-CD1 4.02Å; F522-I526 HydrophobicContact CE1-CD1 3.37Å; F522-I526 HydrophobicContact CE1-CG1 4.44Å; F522-I526 HydrophobicContact CE2-CD1 4.01Å; F522-I526 HydrophobicContact CZ-CD1 3.37Å; F522-I526 HydrophobicContact CZ-CG1 4.36Å; F522-I526 PolarHBondContact O-N 2.99Å
523Y52.5Low51.6Low104 Ų10494 Ų9441%0.40848%0.483SS..Hα-helixtrans-64.4-40.6173.9-84.1-69.8000112.6M460 L519 L520 Y525 I526 I527M460-Y523 HydrophobicContact CE-CD1 4.31Å; M460-Y523 HydrophobicContact CE-CE1 3.8Å; L519-Y523 HydrophobicContact CD2-CD2 4.47Å; L519-Y523 HydrophobicContact CD2-CE2 3.79Å; L519-Y523 HydrophobicContact CG-CD2 4.37Å; L519-Y523 HydrophobicContact CG-CE2 4.03Å; L519-Y523 WeakPolarHBondContact O-CD2 3.38Å; L519-Y523 PolarHBondContact O-N 3.07Å; L520-Y523 PolarHBondContact O-N 3.23Å; Y523-Y525 VanDerWaalsContact C-N 3.27Å; Y523-Y525 PolarHBondContact O-N 3.29Å; Y523-I526 PolarHBondContact O-N 3.45Å; Y523-I527 VanDerWaalsContact O-CB 3.3Å; Y523-I527 WeakPolarHBondContact O-CB 3.46Å; Y523-I527 VanDerWaalsContact O-CG1 3.22Å; Y523-I527 WeakPolarHBondContact O-CG1 3.32Å; Y523-I527 PolarHBondContact O-N 2.72Å
524Q54.8Low51.9Low121 Ų12191.1 Ų91.157%0.56548%0.477SS*.Hα-helixtrans-61.3-37.7173.3-79.8179.7-1300111.6L520 L521 G528L520-Q524 WeakPolarHBondContact O-CB 3.33Å; L520-Q524 WeakPolarHBondContact O-CG 3.41Å; L520-Q524 PolarHBondContact O-N 3.13Å; L521-Q524 PolarHBondContact O-N 2.91Å; Q524-G528 WeakPolarHBondContact O-CA 3.31Å; Q524-G528 PolarHBondContact O-N 3.1Å
525Y53.6Low52.3Low109 Ų10989 Ų8943%0.42747%0.474SS..Hα-helixtrans-67.5-49.2175.4-156.4-92.7000110.6L521 F522 Y523 I527 G528 W529L521-Y525 WeakPolarHBondContact O-CB 3.36Å; L521-Y525 PolarHBondContact O-N 2.71Å; F522-Y525 WeakPolarHBondContact O-CB 3.25Å; F522-Y525 PolarHBondContact O-N 3.13Å; Y523-Y525 VanDerWaalsContact C-N 3.27Å; Y523-Y525 PolarHBondContact O-N 3.29Å; Y525-I527 PolarHBondContact O-N 3.3Å; Y525-G528 PolarHBondContact O-N 2.9Å; Y525-W529 AromaticContact CD1-CD1 3.71Å; Y525-W529 AromaticContact CD1-NE1 3.99Å; Y525-W529 AromaticContact CE1-CD1 3.62Å; Y525-W529 HydrophobicContact CE1-CG 4.47Å; Y525-W529 AromaticContact CE1-NE1 3.51Å; Y525-W529 AromaticContact CE2-NE1 3.62Å; Y525-W529 AromaticContact CZ-CD1 3.91Å; Y525-W529 AromaticContact CZ-NE1 3.31Å; Y525-W529 VanDerWaalsContact CZ-NE1 3.31Å; Y525-W529 PolarHBondContact O-N 3.36Å
526I52.5Low52.9Low43 Ų4383.8 Ų83.822%0.22146%0.457CS..Hα-helixtrans-61.2-48.4178.3-69.5-179.9000111.4M460 F522 Y523 G528 W529 T530M460-I526 HydrophobicContact CE-CD1 3.75Å; M460-I526 HydrophobicContact CE-CG2 4.13Å; M460-I526 HydrophobicContact SD-CD1 3.65Å; F522-I526 HydrophobicContact CD1-CD1 4.02Å; F522-I526 HydrophobicContact CE1-CD1 3.37Å; F522-I526 HydrophobicContact CE1-CG1 4.44Å; F522-I526 HydrophobicContact CE2-CD1 4.01Å; F522-I526 HydrophobicContact CZ-CD1 3.37Å; F522-I526 HydrophobicContact CZ-CG1 4.36Å; F522-I526 PolarHBondContact O-N 2.99Å; Y523-I526 PolarHBondContact O-N 3.45Å; I526-G528 VanDerWaalsContact C-N 3.3Å; I526-G528 PolarHBondContact O-N 3.23Å; I526-W529 PolarHBondContact O-N 3.34Å; I526-T530 HydrophobicContact CG2-CG2 3.92Å; I526-T530 VanDerWaalsContact O-CB 3.3Å; I526-T530 WeakPolarHBondContact O-CB 3.49Å; I526-T530 VanDerWaalsContact O-CG2 3.31Å; I526-T530 WeakPolarHBondContact O-CG2 3.33Å; I526-T530 PolarHBondContact O-N 2.75Å; I526-T530 PolarHBondContact O-OG1 2.93Å
527I55.3Low53.9Low104 Ų10480.1 Ų80.153%0.53344%0.435SS..Hα-helixtrans-62.6-41.2177.8-67.3167.9000110.4Y523 Y525 W529 T530 L531Y523-I527 VanDerWaalsContact O-CB 3.3Å; Y523-I527 WeakPolarHBondContact O-CB 3.46Å; Y523-I527 VanDerWaalsContact O-CG1 3.22Å; Y523-I527 WeakPolarHBondContact O-CG1 3.32Å; Y523-I527 PolarHBondContact O-N 2.72Å; Y525-I527 PolarHBondContact O-N 3.3Å; I527-W529 PolarHBondContact O-N 3.25Å; I527-T530 WeakPolarHBondContact CA-OG1 3.34Å; I527-T530 PolarHBondContact O-OG1 3.16Å; I527-L531 WeakPolarHBondContact O-CB 3.37Å; I527-L531 PolarHBondContact O-N 3.49Å
528G56.8Low54.4Low44 Ų4482.3 Ų82.345%0.45443%0.431SS..Hα-helixtrans-64.9-21.7179.700000114.2Q524 Y525 I526 P532Q524-G528 WeakPolarHBondContact O-CA 3.31Å; Q524-G528 PolarHBondContact O-N 3.1Å; Y525-G528 PolarHBondContact O-N 2.9Å; I526-G528 VanDerWaalsContact C-N 3.3Å; I526-G528 PolarHBondContact O-N 3.23Å; G528-P532 WeakPolarHBondContact O-CD 3.43Å; G528-P532 WeakPolarHBondContact O-CG 3.12Å
529W54.7Low54.9Low117 Ų11779.5 Ų79.544%0.44343%0.425SS..Hα-helixtrans-106.2-37.2177.1-75.987.6000113.5Y525 I526 I527 P532 T533Y525-W529 AromaticContact CD1-CD1 3.71Å; Y525-W529 AromaticContact CD1-NE1 3.99Å; Y525-W529 AromaticContact CE1-CD1 3.62Å; Y525-W529 HydrophobicContact CE1-CG 4.47Å; Y525-W529 AromaticContact CE1-NE1 3.51Å; Y525-W529 AromaticContact CE2-NE1 3.62Å; Y525-W529 AromaticContact CZ-CD1 3.91Å; Y525-W529 AromaticContact CZ-NE1 3.31Å; Y525-W529 VanDerWaalsContact CZ-NE1 3.31Å; Y525-W529 PolarHBondContact O-N 3.36Å; I526-W529 PolarHBondContact O-N 3.34Å; I527-W529 PolarHBondContact O-N 3.25Å; W529-P532 WeakPolarHBondContact O-CD 3.36Å; W529-T533 PolarHBondContact O-N 3.48Å; W529-T533 VanDerWaalsContact O-N 3.11Å; W529-T533 PolarHBondContact O-OG1 2.84Å
530T56Low55.4Low30 Ų3077.7 Ų77.718%0.18442%0.415CS..Hα-helixtrans-64-43.217947.40000112.1Y464 I526 I527 T533 I534Y464-T530 HydrophobicContact CE2-CG2 4.22Å; I526-T530 HydrophobicContact CG2-CG2 3.92Å; I526-T530 VanDerWaalsContact O-CB 3.3Å; I526-T530 WeakPolarHBondContact O-CB 3.49Å; I526-T530 VanDerWaalsContact O-CG2 3.31Å; I526-T530 WeakPolarHBondContact O-CG2 3.33Å; I526-T530 PolarHBondContact O-N 2.75Å; I526-T530 PolarHBondContact O-OG1 2.93Å; I527-T530 WeakPolarHBondContact CA-OG1 3.34Å; I527-T530 PolarHBondContact O-OG1 3.16Å; T530-T533 VanDerWaalsContact CA-OG1 3.31Å; T530-T533 WeakPolarHBondContact CA-OG1 3.4Å; T530-T533 PolarHBondContact O-N 3.25Å; T530-T533 PolarHBondContact O-OG1 2.92Å; T530-I534 VanDerWaalsContact O-CG1 3.31Å; T530-I534 WeakPolarHBondContact O-CG1 3.03Å; T530-I534 PolarHBondContact O-N 3.3Å
531L57.1Low55.7Low109 Ų10974.8 Ų74.857%0.57141%0.405SS*.Hα-helixtrans-64.1-48.3-179.3-167.578.3000111.8I527 T533 I534 V535I527-L531 WeakPolarHBondContact O-CB 3.37Å; I527-L531 PolarHBondContact O-N 3.49Å; L531-T533 PolarHBondContact O-N 3.41Å; L531-I534 PolarHBondContact O-N 3.44Å; L531-V535 VanDerWaalsContact O-CG2 3.3Å; L531-V535 WeakPolarHBondContact O-CG2 3.13Å; L531-V535 PolarHBondContact O-N 2.81Å
532P58Low55.9Low71 Ų7176.8 Ų76.846%0.46141%0.409SS..Hα-helixtrans-59.4-39.7171.6-27.836000114.5G528 W529 V535 A536G528-P532 WeakPolarHBondContact O-CD 3.43Å; G528-P532 WeakPolarHBondContact O-CG 3.12Å; W529-P532 WeakPolarHBondContact O-CD 3.36Å; P532-V535 PolarHBondContact O-N 2.8Å; P532-A536 VanDerWaalsContact O-CB 3.23Å; P532-A536 WeakPolarHBondContact O-CB 3.25Å; P532-A536 PolarHBondContact O-N 2.86Å
533T56.8Low56.2Low21 Ų2179.5 Ų79.513%0.12943%0.426CS..Hα-helixtrans-64.8-40.1176.434.70000112.4F498 W529 T530 L531 A536 V537F498-T533 HydrophobicContact CB-CG2 4.36Å; F498-T533 HydrophobicContact CD1-CG2 4.23Å; W529-T533 PolarHBondContact O-N 3.48Å; W529-T533 VanDerWaalsContact O-N 3.11Å; W529-T533 PolarHBondContact O-OG1 2.84Å; T530-T533 VanDerWaalsContact CA-OG1 3.31Å; T530-T533 WeakPolarHBondContact CA-OG1 3.4Å; T530-T533 PolarHBondContact O-N 3.25Å; T530-T533 PolarHBondContact O-OG1 2.92Å; L531-T533 PolarHBondContact O-N 3.41Å; T533-A536 PolarHBondContact O-N 3.24Å; T533-V537 WeakPolarHBondContact O-CB 3.3Å; T533-V537 VanDerWaalsContact O-CG2 3.23Å; T533-V537 WeakPolarHBondContact O-CG2 3.45Å; T533-V537 PolarHBondContact O-N 2.93Å
534I58Low56.4Low95 Ų9576.8 Ų76.849%0.48742%0.418SS..Hα-helixtrans-63.7-46175.5-69.3166.6000109.9T530 L531 A536 V537 I538T530-I534 VanDerWaalsContact O-CG1 3.31Å; T530-I534 WeakPolarHBondContact O-CG1 3.03Å; T530-I534 PolarHBondContact O-N 3.3Å; L531-I534 PolarHBondContact O-N 3.44Å; I534-A536 VanDerWaalsContact C-N 3.34Å; I534-A536 PolarHBondContact O-N 3.45Å; I534-V537 PolarHBondContact O-N 3.32Å; I534-I538 HydrophobicContact CG2-CD1 3.71Å; I534-I538 HydrophobicContact CG2-CG1 4.48Å; I534-I538 WeakPolarHBondContact O-CB 3.4Å; I534-I538 VanDerWaalsContact O-CG1 3.26Å; I534-I538 WeakPolarHBondContact O-CG1 3.32Å; I534-I538 PolarHBondContact O-N 3.31Å
535V58.8Low56.5Low92 Ų9274.4 Ų74.456%0.55841%0.412SS*.Hα-helixtrans-62.4-40.7177.2172.50000111.4L531 P532 I538 G539L531-V535 VanDerWaalsContact O-CG2 3.3Å; L531-V535 WeakPolarHBondContact O-CG2 3.13Å; L531-V535 PolarHBondContact O-N 2.81Å; P532-V535 PolarHBondContact O-N 2.8Å; V535-I538 PolarHBondContact O-N 2.82Å; V535-G539 WeakPolarHBondContact O-CA 3.38Å; V535-G539 PolarHBondContact O-N 3.24Å
536A59.3Low56.8Low44 Ų4473 Ų7336%0.36441%0.414SS..Hα-helixtrans-66.2-43.7177.400000111.6P532 T533 I534 G539 I540P532-A536 VanDerWaalsContact O-CB 3.23Å; P532-A536 WeakPolarHBondContact O-CB 3.25Å; P532-A536 PolarHBondContact O-N 2.86Å; T533-A536 PolarHBondContact O-N 3.24Å; I534-A536 VanDerWaalsContact C-N 3.34Å; I534-A536 PolarHBondContact O-N 3.45Å; A536-G539 PolarHBondContact O-N 2.95Å; A536-I540 VanDerWaalsContact O-CB 3.27Å; A536-I540 WeakPolarHBondContact O-CB 3.34Å; A536-I540 WeakPolarHBondContact O-CD1 3.4Å; A536-I540 WeakPolarHBondContact O-CG1 3.19Å; A536-I540 PolarHBondContact O-N 3.14Å
537V57.7Low57.2Low30 Ų3074.5 Ų74.518%0.18243%0.426CS..Hα-helixtrans-63.5-44.2177170.70000110.9F475 V495 T533 I534 S541F475-V537 HydrophobicContact CZ-CG1 4.22Å; V495-V537 HydrophobicContact CG1-CG1 4.15Å; V495-V537 HydrophobicContact CG1-CG2 4.25Å; V495-V537 HydrophobicContact CG2-CG1 4.09Å; V495-V537 HydrophobicContact CG2-CG2 4.27Å; T533-V537 WeakPolarHBondContact O-CB 3.3Å; T533-V537 VanDerWaalsContact O-CG2 3.23Å; T533-V537 WeakPolarHBondContact O-CG2 3.45Å; T533-V537 PolarHBondContact O-N 2.93Å; I534-V537 PolarHBondContact O-N 3.32Å; V537-S541 WeakPolarHBondContact O-CB 3.3Å; V537-S541 PolarHBondContact O-N 3.11Å
538I56.4Low57.3Low106 Ų10674.3 Ų74.354%0.54442%0.421SS..Hα-helixtrans-65-44.8175.6-66.8169.3000110.8I534 V535 S541 F542I534-I538 HydrophobicContact CG2-CD1 3.71Å; I534-I538 HydrophobicContact CG2-CG1 4.48Å; I534-I538 WeakPolarHBondContact O-CB 3.4Å; I534-I538 VanDerWaalsContact O-CG1 3.26Å; I534-I538 WeakPolarHBondContact O-CG1 3.32Å; I534-I538 PolarHBondContact O-N 3.31Å; V535-I538 PolarHBondContact O-N 2.82Å; I538-S541 WeakPolarHBondContact O-CB 3.49Å; I538-S541 PolarHBondContact O-N 2.81Å; I538-F542 PolarHBondContact O-N 2.84Å
539G57.5Low57.4Low39 Ų3977 Ų7740%0.40243%0.425SS..Hα-helixtrans-64.1-44.2-179.400000112.6V535 A536 F542 L543V535-G539 WeakPolarHBondContact O-CA 3.38Å; V535-G539 PolarHBondContact O-N 3.24Å; A536-G539 PolarHBondContact O-N 2.95Å; G539-F542 PolarHBondContact O-N 2.72Å; G539-L543 WeakPolarHBondContact O-CB 3.4Å; G539-L543 PolarHBondContact O-N 2.99Å
540I59.4Low57.8Low71 Ų7172.8 Ų72.836%0.36442%0.418SS..Hα-helixtrans-63.9-43174.8-70.3166.4000110.1A536 F542 L543 I544A536-I540 VanDerWaalsContact O-CB 3.27Å; A536-I540 WeakPolarHBondContact O-CB 3.34Å; A536-I540 WeakPolarHBondContact O-CD1 3.4Å; A536-I540 WeakPolarHBondContact O-CG1 3.19Å; A536-I540 PolarHBondContact O-N 3.14Å; I540-F542 VanDerWaalsContact C-N 3.29Å; I540-F542 PolarHBondContact O-N 2.8Å; I540-L543 PolarHBondContact O-N 2.91Å; I540-I544 HydrophobicContact CG2-CD1 3.53Å; I540-I544 HydrophobicContact CG2-CG1 4.32Å; I540-I544 WeakPolarHBondContact O-CB 3.27Å; I540-I544 WeakPolarHBondContact O-CD1 3.45Å; I540-I544 WeakPolarHBondContact O-CG1 3.24Å; I540-I544 PolarHBondContact O-N 2.89Å
541S53.3Low58.2Low57 Ų5775.8 Ų75.840%0.39943%0.432SS..Hα-helixtrans-59.1-40.2174.7-171.60000112.1V537 I538 T545V537-S541 WeakPolarHBondContact O-CB 3.3Å; V537-S541 PolarHBondContact O-N 3.11Å; I538-S541 WeakPolarHBondContact O-CB 3.49Å; I538-S541 PolarHBondContact O-N 2.81Å; S541-T545 WeakPolarHBondContact O-CB 3.36Å; S541-T545 PolarHBondContact O-N 2.94Å; S541-T545 VanDerWaalsContact O-N 3.1Å; S541-T545 PolarHBondContact O-OG1 3.34Å
542F54.7Low58.6Low149 Ų14975.1 Ų75.165%0.65443%0.428SS*.Hα-helixtrans-73.6-39.5179.5-151.4-91.1000112.3I538 G539 I540 T545 T546I538-F542 PolarHBondContact O-N 2.84Å; G539-F542 PolarHBondContact O-N 2.72Å; I540-F542 VanDerWaalsContact C-N 3.29Å; I540-F542 PolarHBondContact O-N 2.8Å; F542-T545 PolarHBondContact O-N 3.38Å; F542-T546 WeakPolarHBondContact O-CB 3.45Å; F542-T546 PolarHBondContact O-N 2.86Å; F542-T546 PolarHBondContact O-OG1 3.49Å
543L58.1Low58.9Low114 Ų11476.4 Ų76.460%0.59743%0.431SS*.Hα-helixtrans-61.7-47.5176-16685.4000110.4G539 I540 T545 T546 V547G539-L543 WeakPolarHBondContact O-CB 3.4Å; G539-L543 PolarHBondContact O-N 2.99Å; I540-L543 PolarHBondContact O-N 2.91Å; L543-T545 PolarHBondContact O-N 3.49Å; L543-T546 PolarHBondContact O-N 3.46Å; L543-V547 HydrophobicContact CG-CG2 4.42Å; L543-V547 WeakPolarHBondContact O-CB 3.37Å; L543-V547 VanDerWaalsContact O-CG2 3.25Å; L543-V547 WeakPolarHBondContact O-CG2 3.28Å; L543-V547 PolarHBondContact O-N 3.49Å
544I56.9Low59.4Low46 Ų4680 Ų8024%0.23645%0.449CS..Hα-helixtrans-61.1-46.8177.4-68.4164.9000109.9V491 I540 T546 V547 F548V491-I544 HydrophobicContact CB-CD1 4.46Å; V491-I544 HydrophobicContact CG1-CD1 3.92Å; V491-I544 HydrophobicContact CG2-CD1 3.76Å; I540-I544 HydrophobicContact CG2-CD1 3.53Å; I540-I544 HydrophobicContact CG2-CG1 4.32Å; I540-I544 WeakPolarHBondContact O-CB 3.27Å; I540-I544 WeakPolarHBondContact O-CD1 3.45Å; I540-I544 WeakPolarHBondContact O-CG1 3.24Å; I540-I544 PolarHBondContact O-N 2.89Å; I544-T546 VanDerWaalsContact C-N 3.29Å; I544-T546 PolarHBondContact O-N 3.28Å; I544-V547 PolarHBondContact O-N 3.34Å; I544-F548 HydrophobicContact CG2-CD2 3.63Å; I544-F548 HydrophobicContact CG2-CE2 3.87Å; I544-F548 WeakPolarHBondContact O-CB 3.42Å; I544-F548 WeakPolarHBondContact O-CD2 3.41Å; I544-F548 PolarHBondContact O-N 3.36Å
545T56.5Low59.9Low71 Ų7179.1 Ų79.144%0.43645%0.447SS..Hα-helixtrans-60.3-40.7178.4-52.60000111.8S541 F542 L543 N549S541-T545 WeakPolarHBondContact O-CB 3.36Å; S541-T545 PolarHBondContact O-N 2.94Å; S541-T545 VanDerWaalsContact O-N 3.1Å; S541-T545 PolarHBondContact O-OG1 3.34Å; F542-T545 PolarHBondContact O-N 3.38Å; L543-T545 PolarHBondContact O-N 3.49Å; T545-N549 VanDerWaalsContact O-CB 3.28Å; T545-N549 WeakPolarHBondContact O-CB 3.39Å; T545-N549 VanDerWaalsContact O-CG 3.23Å; T545-N549 PolarHBondContact O-N 3.37Å; T545-N549 PolarHBondContact O-ND2 2.84Å
546T60Low60.4Low79 Ų7979.6 Ų79.649%0.48545%0.446SS..Hα-helixtrans-71.4-43-179.5-51.60000111.9F542 L543 I544 N549 G550F542-T546 WeakPolarHBondContact O-CB 3.45Å; F542-T546 PolarHBondContact O-N 2.86Å; F542-T546 PolarHBondContact O-OG1 3.49Å; L543-T546 PolarHBondContact O-N 3.46Å; I544-T546 VanDerWaalsContact C-N 3.29Å; I544-T546 PolarHBondContact O-N 3.28Å; T546-N549 PolarHBondContact O-N 3.35Å; T546-G550 PolarHBondContact O-N 3.4Å
547V59.1Low60.9Low76 Ų7681.6 Ų81.646%0.46145%0.45SS..Hα-helixtrans-66.8-42.8178.4170.70000110.9L543 I544 G550 L551L543-V547 HydrophobicContact CG-CG2 4.42Å; L543-V547 WeakPolarHBondContact O-CB 3.37Å; L543-V547 VanDerWaalsContact O-CG2 3.25Å; L543-V547 WeakPolarHBondContact O-CG2 3.28Å; L543-V547 PolarHBondContact O-N 3.49Å; I544-V547 PolarHBondContact O-N 3.34Å; V547-G550 PolarHBondContact O-N 2.89Å; V547-L551 HydrophobicContact CG1-CD1 3.89Å; V547-L551 WeakPolarHBondContact O-CB 3.41Å; V547-L551 PolarHBondContact O-N 2.74Å
548F58.8Low61.6Low99 Ų9985.9 Ų85.943%0.43447%0.472SS..Hα-helixtrans-67.8-40.7176.6-88.9-86000112.3T487 I544 G550 L551 I552T487-F548 HydrophobicContact CG2-CE2 4.2Å; T487-F548 HydrophobicContact CG2-CZ 3.71Å; I544-F548 HydrophobicContact CG2-CD2 3.63Å; I544-F548 HydrophobicContact CG2-CE2 3.87Å; I544-F548 WeakPolarHBondContact O-CB 3.42Å; I544-F548 WeakPolarHBondContact O-CD2 3.41Å; I544-F548 PolarHBondContact O-N 3.36Å; F548-G550 VanDerWaalsContact C-N 3.3Å; F548-G550 PolarHBondContact O-N 2.91Å; F548-L551 PolarHBondContact O-N 3.38Å; F548-I552 WeakPolarHBondContact O-CB 3.49Å; F548-I552 VanDerWaalsContact O-CG1 3.27Å; F548-I552 WeakPolarHBondContact O-CG1 3.47Å; F548-I552 PolarHBondContact O-N 3.33Å
549N59.3Low62.4Low101 Ų10186.1 Ų86.154%0.5447%0.474SS..Hα-helixtrans-63.4-37.6172.4-77.2-16.3000111.7T545 T546 L553T545-N549 VanDerWaalsContact O-CB 3.28Å; T545-N549 WeakPolarHBondContact O-CB 3.39Å; T545-N549 VanDerWaalsContact O-CG 3.23Å; T545-N549 PolarHBondContact O-N 3.37Å; T545-N549 PolarHBondContact O-ND2 2.84Å; T546-N549 PolarHBondContact O-N 3.35Å; N549-L553 WeakPolarHBondContact O-CB 3.47Å; N549-L553 PolarHBondContact O-N 3.38Å
550G62.4Low63.1Low28 Ų2887.6 Ų87.629%0.28948%0.475SS..Hα-helixtrans-63.9-44.7173.800000112.7T546 V547 F548 L553 I554T546-G550 PolarHBondContact O-N 3.4Å; V547-G550 PolarHBondContact O-N 2.89Å; F548-G550 VanDerWaalsContact C-N 3.3Å; F548-G550 PolarHBondContact O-N 2.91Å; G550-L553 PolarHBondContact O-N 3.15Å; G550-I554 WeakPolarHBondContact O-CB 3.29Å; G550-I554 VanDerWaalsContact O-CG1 3.23Å; G550-I554 WeakPolarHBondContact O-CG1 3.27Å; G550-I554 PolarHBondContact O-N 3.39Å
551L65.1Low63.4Low94 Ų9486.8 Ų86.849%0.49248%0.475SS..Hα-helixtrans-64.5-41.9175.9-100.8139.8000112.2V547 F548 L553 I554 T555V547-L551 HydrophobicContact CG1-CD1 3.89Å; V547-L551 WeakPolarHBondContact O-CB 3.41Å; V547-L551 PolarHBondContact O-N 2.74Å; F548-L551 PolarHBondContact O-N 3.38Å; L551-L553 VanDerWaalsContact C-N 3.33Å; L551-I554 PolarHBondContact O-N 2.93Å; L551-T555 WeakPolarHBondContact O-CB 3.37Å; L551-T555 PolarHBondContact O-N 3.48Å; L551-T555 PolarHBondContact O-OG1 3.35Å
552I64.7Low64Low94 Ų9485.3 Ų85.348%0.48247%0.468SS..Hα-helixtrans-61.4-44.7173.9-70.6166.7000110.1F548 T555 L556F548-I552 WeakPolarHBondContact O-CB 3.49Å; F548-I552 VanDerWaalsContact O-CG1 3.27Å; F548-I552 WeakPolarHBondContact O-CG1 3.47Å; F548-I552 PolarHBondContact O-N 3.33Å; I552-T555 PolarHBondContact O-N 3Å; I552-L556 HydrophobicContact CG2-CD1 3.88Å; I552-L556 WeakPolarHBondContact O-CB 3.44Å; I552-L556 PolarHBondContact O-N 3Å
553L63.8Low64.2Low98 Ų9881.8 Ų81.851%0.51346%0.461SS..Hα-helixtrans-62.8-44.9178.1-163.479.6000111.5N549 G550 L551 T555 L556 L557N549-L553 WeakPolarHBondContact O-CB 3.47Å; N549-L553 PolarHBondContact O-N 3.38Å; G550-L553 PolarHBondContact O-N 3.15Å; L551-L553 VanDerWaalsContact C-N 3.33Å; L553-T555 VanDerWaalsContact C-N 3.34Å; L553-L556 PolarHBondContact O-N 3Å; L553-L557 HydrophobicContact CG-CD1 4.4Å; L553-L557 WeakPolarHBondContact O-CB 3.41Å; L553-L557 PolarHBondContact O-N 3.43Å
554I68.4Low64.2Low98 Ų9881.1 Ų81.150%0.50346%0.458SS..Hα-helixtrans-62.6-42176.1-69.5163.9000110.6G550 L551 L557 L558G550-I554 WeakPolarHBondContact O-CB 3.29Å; G550-I554 VanDerWaalsContact O-CG1 3.23Å; G550-I554 WeakPolarHBondContact O-CG1 3.27Å; G550-I554 PolarHBondContact O-N 3.39Å; L551-I554 PolarHBondContact O-N 2.93Å; I554-L557 PolarHBondContact O-N 3.41Å; I554-L558 HydrophobicContact CG2-CD1 3.9Å; I554-L558 HydrophobicContact CG2-CG 4.36Å; I554-L558 WeakPolarHBondContact O-CB 3.44Å; I554-L558 VanDerWaalsContact O-CG 3.31Å; I554-L558 WeakPolarHBondContact O-CG 3.2Å; I554-L558 PolarHBondContact O-N 2.99Å
555T67.2Low64.1Low75 Ų7584 Ų8446%0.4647%0.473SS..Hα-helixtrans-66-42.5178.8-48.80000110.7L551 I552 L553 L558 L559L551-T555 WeakPolarHBondContact O-CB 3.37Å; L551-T555 PolarHBondContact O-N 3.48Å; L551-T555 PolarHBondContact O-OG1 3.35Å; I552-T555 PolarHBondContact O-N 3Å; L553-T555 VanDerWaalsContact C-N 3.34Å; T555-L558 PolarHBondContact O-N 3.05Å; T555-L559 WeakPolarHBondContact O-CB 3.42Å; T555-L559 PolarHBondContact O-N 3.18Å
556L69.2Low64Low103 Ų10386.6 Ų86.654%0.53948%0.483SS..Hα-helixtrans-62-41.7172.5-103.2138.3000111.9I552 L553 L559 T560I552-L556 HydrophobicContact CG2-CD1 3.88Å; I552-L556 WeakPolarHBondContact O-CB 3.44Å; I552-L556 PolarHBondContact O-N 3Å; L553-L556 PolarHBondContact O-N 3Å; L556-L559 PolarHBondContact O-N 2.89Å; L556-T560 WeakPolarHBondContact O-CG2 3.4Å; L556-T560 PolarHBondContact O-N 2.94Å; L556-T560 PolarHBondContact O-OG1 2.79Å; L556-T560 VanDerWaalsContact O-OG1 3.06Å
557L70.8Confident63.5Low85 Ų8589.6 Ų89.645%0.44549%0.49SS..Hα-helixtrans-64.9-40.9176.4-115.2137000112.3L553 I554 L559 T560 C561L553-L557 HydrophobicContact CG-CD1 4.4Å; L553-L557 WeakPolarHBondContact O-CB 3.41Å; L553-L557 PolarHBondContact O-N 3.43Å; I554-L557 PolarHBondContact O-N 3.41Å; L557-L559 VanDerWaalsContact C-N 3.34Å; L557-T560 WeakPolarHBondContact CA-OG1 3.33Å; L557-T560 PolarHBondContact O-N 2.65Å; L557-T560 PolarHBondContact O-OG1 3.38Å; L557-T560 VanDerWaalsContact O-OG1 3.08Å; L557-C561 WeakPolarHBondContact O-CB 3.4Å; L557-C561 PolarHBondContact O-N 3.3Å
558L72.8Confident63.1Low121 Ų12193 Ų9363%0.63450%0.501SS*.Hα-helixtrans-67.6-36.3174.4-73.4169.6000111.2I554 T555 G562I554-L558 HydrophobicContact CG2-CD1 3.9Å; I554-L558 HydrophobicContact CG2-CG 4.36Å; I554-L558 WeakPolarHBondContact O-CB 3.44Å; I554-L558 VanDerWaalsContact O-CG 3.31Å; I554-L558 WeakPolarHBondContact O-CG 3.2Å; I554-L558 PolarHBondContact O-N 2.99Å; T555-L558 PolarHBondContact O-N 3.05Å; L558-G562 WeakPolarHBondContact O-CA 3.49Å; L558-G562 PolarHBondContact O-N 2.85Å
559L73.1Confident62.6Low111 Ų11195.7 Ų95.758%0.58152%0.519SS*.Hα-helixtrans-68.5-42174.3-122.9122.5000111.6T555 L556 L557 G562 C563T555-L559 WeakPolarHBondContact O-CB 3.42Å; T555-L559 PolarHBondContact O-N 3.18Å; L556-L559 PolarHBondContact O-N 2.89Å; L557-L559 VanDerWaalsContact C-N 3.34Å; L559-G562 PolarHBondContact O-N 3.09Å; L559-C563 VanDerWaalsContact O-CB 3.32Å; L559-C563 WeakPolarHBondContact O-CB 3.46Å; L559-C563 PolarHBondContact O-N 3.1Å; L559-C563 PolarHBondContact O-SG 3.04Å
560T70.8Confident62.2Low70 Ų7094.4 Ų94.443%0.42952%0.518SS..Hα-helixtrans-72.5-39.7177.553.10000111.9L556 L557 C563 L564L556-T560 WeakPolarHBondContact O-CG2 3.4Å; L556-T560 PolarHBondContact O-N 2.94Å; L556-T560 PolarHBondContact O-OG1 2.79Å; L556-T560 VanDerWaalsContact O-OG1 3.06Å; L557-T560 WeakPolarHBondContact CA-OG1 3.33Å; L557-T560 PolarHBondContact O-N 2.65Å; L557-T560 PolarHBondContact O-OG1 3.38Å; L557-T560 VanDerWaalsContact O-OG1 3.08Å; T560-C563 PolarHBondContact O-N 2.82Å; T560-L564 VanDerWaalsContact O-CB 3.3Å; T560-L564 WeakPolarHBondContact O-CB 3.31Å; T560-L564 VanDerWaalsContact O-CG 3.31Å; T560-L564 WeakPolarHBondContact O-CG 3.37Å; T560-L564 PolarHBondContact O-N 3.4Å
561C66.9Low61.1Low53 Ų5398.7 Ų98.736%0.35853%0.534SS..Hα-helixtrans-64.5-38.7170.5-850000111.7L557 L564 L565L557-C561 WeakPolarHBondContact O-CB 3.4Å; L557-C561 PolarHBondContact O-N 3.3Å; C561-L564 PolarHBondContact O-N 2.86Å; C561-L565 WeakPolarHBondContact O-CB 3.48Å; C561-L565 WeakPolarHBondContact O-CG 3.23Å; C561-L565 PolarHBondContact O-N 2.9Å
562G65.3Low59.5Low26 Ų2698.4 Ų98.427%0.26855%0.545SS..Hα-helixtrans-63.6-45.4173.400000111.9L558 L559 L565 I566L558-G562 WeakPolarHBondContact O-CA 3.49Å; L558-G562 PolarHBondContact O-N 2.85Å; L559-G562 PolarHBondContact O-N 3.09Å; G562-L565 PolarHBondContact O-N 3.27Å; G562-I566 WeakPolarHBondContact O-CB 3.41Å; G562-I566 WeakPolarHBondContact O-CD1 3.33Å; G562-I566 WeakPolarHBondContact O-CG1 3.47Å; G562-I566 PolarHBondContact O-N 3.21Å
563C59.7Low58.1Low75 Ų75100 Ų10051%0.50756%0.559SS.*Hα-helixtrans-63.3-40173.9-74.40000112.1L559 T560 I566 F567L559-C563 VanDerWaalsContact O-CB 3.32Å; L559-C563 WeakPolarHBondContact O-CB 3.46Å; L559-C563 PolarHBondContact O-N 3.1Å; L559-C563 PolarHBondContact O-SG 3.04Å; T560-C563 PolarHBondContact O-N 2.82Å; C563-I566 PolarHBondContact O-N 3.09Å; C563-F567 WeakPolarHBondContact O-CB 3.25Å; C563-F567 PolarHBondContact O-N 3.27Å
564L57.4Low57Low101 Ų101102.7 Ų102.753%0.52957%0.573SS.*Hα-helixtrans-69.6-39.7177.3-79.8163000112.2T560 C561 I566 F567 E568T560-L564 VanDerWaalsContact O-CB 3.3Å; T560-L564 WeakPolarHBondContact O-CB 3.31Å; T560-L564 VanDerWaalsContact O-CG 3.31Å; T560-L564 WeakPolarHBondContact O-CG 3.37Å; T560-L564 PolarHBondContact O-N 3.4Å; C561-L564 PolarHBondContact O-N 2.86Å; L564-I566 VanDerWaalsContact C-N 3.33Å; L564-I566 PolarHBondContact O-N 3.02Å; L564-F567 CarbonylContact O-C 3.55Å; L564-F567 PolarHBondContact O-N 3.29Å; L564-F567 VanDerWaalsContact O-N 3.12Å; L564-E568 WeakPolarHBondContact O-CB 3.42Å; L564-E568 PolarHBondContact O-N 2.94Å
565L54.9Low55.3Low105 Ų105106.8 Ų106.855%0.5559%0.59SS.*Hα-helixtrans-63.9-38.7173-83.1162.1000111.6C561 G562 F567 L569C561-L565 WeakPolarHBondContact O-CB 3.48Å; C561-L565 WeakPolarHBondContact O-CG 3.23Å; C561-L565 PolarHBondContact O-N 2.9Å; G562-L565 PolarHBondContact O-N 3.27Å; L565-F567 VanDerWaalsContact C-N 3.3Å; L565-L569 WeakPolarHBondContact O-CB 3.45Å; L565-L569 WeakPolarHBondContact O-CD1 3.28Å; L565-L569 WeakPolarHBondContact O-CG 3.44Å; L565-L569 PolarHBondContact O-N 3.04Å; L565-L569 VanDerWaalsContact O-N 3.12Å
566I54.2Low53.9Low126 Ų126113.2 Ų113.265%0.64661%0.612SS**Hα-helixtrans-67.8-31.9173.3-66.7165.2000110.9G562 C563 L564G562-I566 WeakPolarHBondContact O-CB 3.41Å; G562-I566 WeakPolarHBondContact O-CD1 3.33Å; G562-I566 WeakPolarHBondContact O-CG1 3.47Å; G562-I566 PolarHBondContact O-N 3.21Å; C563-I566 PolarHBondContact O-N 3.09Å; L564-I566 VanDerWaalsContact C-N 3.33Å; L564-I566 PolarHBondContact O-N 3.02Å
567F50.5Low52.2Low143 Ų143111.6 Ų111.663%0.62762%0.62SS**Hα-helixtrans-78.4-41.6178.4-139.3-99000112.8C563 L564 L565 S570 N571C563-F567 WeakPolarHBondContact O-CB 3.25Å; C563-F567 PolarHBondContact O-N 3.27Å; L564-F567 CarbonylContact O-C 3.55Å; L564-F567 PolarHBondContact O-N 3.29Å; L564-F567 VanDerWaalsContact O-N 3.12Å; L565-F567 VanDerWaalsContact C-N 3.3Å; F567-S570 PolarHBondContact O-N 3.4Å; F567-S570 PolarHBondContact O-OG 3.41Å; F567-N571 PolarHBondContact O-N 2.9Å
568E49Very low50.5Low147 Ų147115.1 Ų115.169%0.68764%0.638SS**Hα-helixtrans-69.9-27.2176.8-85.8179.5151.100112.8L564 S570L564-E568 WeakPolarHBondContact O-CB 3.42Å; L564-E568 PolarHBondContact O-N 2.94Å; E568-S570 PolarHBondContact O-N 3.11Å
569L49Very low48.8Very low156 Ų156118.2 Ų118.282%0.81765%0.647SS**THydrogen-bonded Turntrans-72.3-13.6168.5-84.5159.2000113.2L565L565-L569 WeakPolarHBondContact O-CB 3.45Å; L565-L569 WeakPolarHBondContact O-CD1 3.28Å; L565-L569 WeakPolarHBondContact O-CG 3.44Å; L565-L569 PolarHBondContact O-N 3.04Å; L565-L569 VanDerWaalsContact O-N 3.12Å
570S50.5Low47.3Very low74 Ų74119.6 Ų119.652%0.51765%0.654SS.*THydrogen-bonded Turntrans-108-16.4-177.386.80000115.1F567 E568F567-S570 PolarHBondContact O-N 3.4Å; F567-S570 PolarHBondContact O-OG 3.41Å; E568-S570 PolarHBondContact O-N 3.11Å
571N39.4Very low45.9Very low117 Ų117124.3 Ų124.363%0.62667%0.669SS**  trans-147.797.8178.9-87.9-39.7000111.3F567 T573F567-N571 PolarHBondContact O-N 2.9Å; N571-T573 PolarHBondContact O-N 3.42Å
572A32.5Very low44.7Very low89 Ų89125.4 Ų125.474%0.73668%0.677SS**  trans-65.6116.3163.300000109.2
573T34.3Very low43.5Very low126 Ų126126.5 Ų126.577%0.77369%0.689SS**  trans152.1143.7139.649.50000111.1N571N571-T573 PolarHBondContact O-N 3.42Å
574I40.1Very low42.7Very low156 Ų156128 Ų12880%0.869%0.691SS**  trans101.591.3162.8-51.4162.6000116F576I574-F576 PolarHBondContact O-N 2.97Å
575E34.4Very low42Very low183 Ų183125.8 Ų125.886%0.85569%0.688SS**  trans1.5103.4135.5-62.3-174.6153.600116.5
576F37.3Very low41.3Very low211 Ų211126.4 Ų126.493%0.92569%0.691SS**  trans-168.229.4145.4-124.8-90.5000112.5I574I574-F576 PolarHBondContact O-N 2.97Å
577G32.6Very low40.8Very low68 Ų68123.6 Ų123.670%0.70169%0.687SS**  trans-103.987.2179.900000111.6
578L36.6Very low40.6Very low159 Ų159122.2 Ų122.283%0.83269%0.686SS**SBendtrans-169.1-5.6160.2-109.6136.1000116.3
579F36.8Very low40.1Very low186 Ų186122.3 Ų122.382%0.81668%0.684SS**SBendtrans-100.3-20.8-176.7-149.4-98.8000115.2
580L40.6Very low39.7Very low140 Ų140121 Ų12173%0.73368%0.675SS**SBendtrans-87.7-17.6-179-83.6158.1000114
581F41.6Very low39.2Very low169 Ų169119.9 Ų119.974%0.74168%0.676SS**Hα-helixtrans-84-23.8-176.3-101.8-91.4000114.3
582S40.9Very low39.2Very low77 Ų77115.9 Ų115.954%0.53866%0.662SS.*Hα-helixtrans-82.4-27.8179.759.50000113.5
583G40.3Very low39.5Very low49 Ų49116.6 Ų116.651%0.50565%0.653SS.*Hα-helixtrans-77.7-37.3178.600000114.1A587G583-A587 PolarHBondContact O-N 3.45Å
584L44.1Very low39.7Very low105 Ų105119.5 Ų119.555%0.5565%0.651SS.*Hα-helixtrans-77.6-33-179.1-98.9124.6000113N586 A587 L588L584-N586 PolarHBondContact O-N 3.22Å; L584-A587 PolarHBondContact O-N 2.79Å; L584-L588 WeakPolarHBondContact O-CB 3.48Å; L584-L588 WeakPolarHBondContact O-CD1 3.27Å; L584-L588 PolarHBondContact O-N 2.8Å
585A41.5Very low39.6Very low56 Ų56115 Ų11546%0.46364%0.637SS.*Hα-helixtrans-64.3-38.9176.200000112.2F589A585-F589 WeakPolarHBondContact O-CB 3.24Å; A585-F589 PolarHBondContact O-N 2.89Å
586N41.3Very low39.7Very low118 Ų118111.5 Ų111.563%0.63162%0.623SS**Hα-helixtrans-72.7-31.8177-95.7-9.2000113.5L584 M590L584-N586 PolarHBondContact O-N 3.22Å; N586-M590 WeakPolarHBondContact O-CB 3.35Å; N586-M590 WeakPolarHBondContact O-CG 3.36Å; N586-M590 PolarHBondContact O-N 2.82Å; N586-M590 VanDerWaalsContact O-N 3.15Å
587A44.1Very low39.5Very low67 Ų67103.6 Ų103.655%0.55460%0.601SS**Hα-helixtrans-71.3-36174.800000112.3G583 L584 G591G583-A587 PolarHBondContact O-N 3.45Å; L584-A587 PolarHBondContact O-N 2.79Å; A587-G591 PolarHBondContact O-N 2.8Å; A587-G591 VanDerWaalsContact O-N 3.09Å
588L45Very low39.6Very low114 Ų114109.3 Ų109.360%0.59761%0.607SS**Hα-helixtrans-72.4-35.3175.8-81.3157.2000112.5L584 G592L584-L588 WeakPolarHBondContact O-CB 3.48Å; L584-L588 WeakPolarHBondContact O-CD1 3.27Å; L584-L588 PolarHBondContact O-N 2.8Å; L588-G592 PolarHBondContact O-N 3.28Å
589F40Very low39.5Very low148 Ų148106.7 Ų106.765%0.64960%0.598SS**Hα-helixtrans-73-39.8178-139.4-99.8000112.4A585 L593A585-F589 WeakPolarHBondContact O-CB 3.24Å; A585-F589 PolarHBondContact O-N 2.89Å; F589-L593 HydrophobicContact CD1-CD1 3.54Å; F589-L593 HydrophobicContact CE1-CD1 3.54Å; F589-L593 HydrophobicContact CG-CD1 4.25Å; F589-L593 HydrophobicContact CZ-CD1 4.25Å; F589-L593 VanDerWaalsContact O-CD1 3.29Å; F589-L593 WeakPolarHBondContact O-CD1 3.46Å; F589-L593 PolarHBondContact O-N 3.46Å
590M40.1Very low39.3Very low128 Ų128105 Ų10563%0.63159%0.59SS**Hα-helixtrans-75.4-36.5178-73.4-67.8-138.600112.9N586 Y594N586-M590 WeakPolarHBondContact O-CB 3.35Å; N586-M590 WeakPolarHBondContact O-CG 3.36Å; N586-M590 PolarHBondContact O-N 2.82Å; N586-M590 VanDerWaalsContact O-N 3.15Å; M590-Y594 WeakPolarHBondContact O-CD2 3.32Å; M590-Y594 PolarHBondContact O-N 3.08Å
591G40.5Very low38.8Very low52 Ų52103.8 Ų103.854%0.53659%0.589SS.*Hα-helixtrans-71.1-33.3177.400000113.9A587A587-G591 PolarHBondContact O-N 2.8Å; A587-G591 VanDerWaalsContact O-N 3.09Å
592G38.7Very low38.2Very low32 Ų32102.2 Ų102.233%0.3359%0.593SS.*Hα-helixtrans-76.6-39.4178.500000113.9L588 A595 I596L588-G592 PolarHBondContact O-N 3.28Å; G592-A595 PolarHBondContact O-N 3.4Å; G592-I596 WeakPolarHBondContact O-CD1 3.4Å; G592-I596 VanDerWaalsContact O-CG1 3.3Å; G592-I596 WeakPolarHBondContact O-CG1 3.21Å; G592-I596 PolarHBondContact O-N 2.83Å
593L37.9Very low37.7Very low104 Ų104106.4 Ų106.455%0.54560%0.604SS.*Hα-helixtrans-74-30.8179.7-95.2113.2000113.6F589 A595 I596 G597F589-L593 HydrophobicContact CD1-CD1 3.54Å; F589-L593 HydrophobicContact CE1-CD1 3.54Å; F589-L593 HydrophobicContact CG-CD1 4.25Å; F589-L593 HydrophobicContact CZ-CD1 4.25Å; F589-L593 VanDerWaalsContact O-CD1 3.29Å; F589-L593 WeakPolarHBondContact O-CD1 3.46Å; F589-L593 PolarHBondContact O-N 3.46Å; L593-A595 VanDerWaalsContact C-N 3.34Å; L593-I596 PolarHBondContact O-N 3.06Å; L593-G597 PolarHBondContact O-N 3.37Å
594Y39.2Very low37.2Very low187 Ų187109.3 Ų109.373%0.73361%0.614SS**Hα-helixtrans-70.7-28.8174.9-93.3-89.6000112.9M590M590-Y594 WeakPolarHBondContact O-CD2 3.32Å; M590-Y594 PolarHBondContact O-N 3.08Å
595A38.6Very low36.6Very low63 Ų63110.9 Ų110.952%0.52163%0.628SS.*Hα-helixtrans-78.7-29.1175.200000113G592 L593 V599G592-A595 PolarHBondContact O-N 3.4Å; L593-A595 VanDerWaalsContact C-N 3.34Å; A595-V599 WeakPolarHBondContact O-CG2 3.37Å
596I36.1Very low35.9Very low108 Ų108113.1 Ų113.155%0.55465%0.646SS**Hα-helixtrans-83.7-31.4176.7-64.2167.5000111G592 L593 F600G592-I596 WeakPolarHBondContact O-CD1 3.4Å; G592-I596 VanDerWaalsContact O-CG1 3.3Å; G592-I596 WeakPolarHBondContact O-CG1 3.21Å; G592-I596 PolarHBondContact O-N 2.83Å; L593-I596 PolarHBondContact O-N 3.06Å; I596-F600 HydrophobicContact CG2-CD2 4.27Å; I596-F600 WeakPolarHBondContact O-CD2 3.39Å
597G34Very low35.2Very low45 Ų45110.2 Ų110.246%0.46464%0.644SS.*Hα-helixtrans-71.2-28.3176.900000115.2L593L593-G597 PolarHBondContact O-N 3.37Å
598F33.2Very low34.4Very low189 Ų189114.5 Ų114.583%0.82966%0.657SS**THydrogen-bonded Turntrans-83.2-13.3178.8-150.8-98.1000113.3
599V35.7Very low33.7Very low104 Ų104115.9 Ų115.963%0.6366%0.664SS**THydrogen-bonded Turntrans-97.3-9.5-179.6175.10000112.1A595A595-V599 WeakPolarHBondContact O-CG2 3.37Å
600F31.3Very low33Very low149 Ų149116.1 Ų116.165%0.65467%0.671SS**SBendtrans-116.812.7-174.4-85.8-82.2000116.5I596I596-F600 HydrophobicContact CG2-CD2 4.27Å; I596-F600 WeakPolarHBondContact O-CD2 3.39Å
601T30Very low32.7Very low116 Ų116115.2 Ų115.271%0.71267%0.674SS**SBendtrans-110.460.7167.557.20000112.3
602T29.7Very low32.1Very low135 Ų135118.8 Ų118.883%0.82868%0.681SS**  trans-156.773.3154.339.30000107.7
603Q29.3Very low31.6Very low166 Ų166121 Ų12178%0.77670%0.704SS**  trans-72.6146.6174.3-86.6-122.2-27.700111.6
604P31.6Very low31.5Very low110 Ų110126.8 Ų126.871%0.71472%0.72SS**  trans-90.9135.6-172.236-29.5000110.5
605V30.5Very low31Very low138 Ų138125.8 Ų125.884%0.83672%0.716SS**  trans-128.799.9165.8-173.30000108.7
606A26.9Very low30.6Very low103 Ų103128.3 Ų128.385%0.85172%0.724SS**  trans-67.1128.5153.600000108.2
607G26.2Very low30.2Very low57 Ų57127.9 Ų127.959%0.58874%0.737SS**  trans158.5107.1168.100000115.3
608L27.4Very low30Very low156 Ų156129.8 Ų129.882%0.81774%0.743SS**  trans76118.9140.7-75.6122.2000120.6
609I29.7Very low29.9Very low144 Ų144126.6 Ų126.674%0.73873%0.734SS**  trans88.4107.2139.2-55.2159.5000117.8
610L26.7Very low29.6Very low153 Ų153131.3 Ų131.380%0.80175%0.747SS**  trans2.5166.2130.8-79.5156.3000118.6
611P33.8Very low29.5Very low109 Ų109129.4 Ų129.471%0.70876%0.759SS**  -109.7126.6-87.131.5-10.6000112.5
612L27.5Very low29.4Very low127 Ų127127.4 Ų127.467%0.66576%0.761SS**  trans-146.428.4-178.7-117.5115.6000117.1Y614L612-Y614 VanDerWaalsContact C-N 3.33Å
613G29Very low29.2Very low79 Ų79130.1 Ų130.181%0.81476%0.764SS**THydrogen-bonded Turntrans-82.4-5.8171.300000115
614Y34.1Very low29.2Very low225 Ų225130.8 Ų130.888%0.88277%0.765SS**THydrogen-bonded Turntrans-1085.5-177-119.1-93.8000113.7L612L612-Y614 VanDerWaalsContact C-N 3.33Å
615Y29.2Very low29Very low166 Ų166136.2 Ų136.265%0.65177%0.772SS**SBendtrans-1251.6-171-132.7-95.9000115.6
616V29.8Very low28.8Very low115 Ų115138 Ų13870%0.69778%0.776SS**SBendtrans-113.3-6.1176.7-177.70000112.4
617A29.5Very low28.8Very low100 Ų100142.8 Ų142.883%0.82678%0.778SS**THydrogen-bonded Turntrans-89.94.9171.400000113.8
618S29.5Very low28.9Very low85 Ų85148 Ų14859%0.59479%0.789SS**THydrogen-bonded Turntrans-111.714.1-178.658.10000114.5
619L29.4Very low28.9Very low122 Ų122150.1 Ų150.164%0.63979%0.792SS**SBendtrans-128.91.8-169.9-103.4149.4000116.7
620F30.8Very low28.8Very low203 Ų203153 Ų15389%0.8980%0.795SS**  trans-134.692167.9-79.6-81.2000111
621A28.4Very low28.8Very low109 Ų109152.2 Ų152.290%0.90179%0.791SS**  trans-56.912715400000108.8
622G27.4Very low28.5Very low74 Ų74156.6 Ų156.676%0.76380%0.799SS**  trans177.694.9-179.600000110.3K624G622-K624 PolarHBondContact O-N 2.87Å
623E26.9Very low28.6Very low191 Ų191154.9 Ų154.989%0.89380%0.803SS**  trans-42.3120.7176.2-60.1-179.7148.800112.8
624K28.4Very low28.5Very low181 Ų181158.3 Ų158.379%0.78780%0.802SS**SBendtrans170.4-4.1135.4-100.7173.5175.8174.90118.6G622G622-K624 PolarHBondContact O-N 2.87Å
625Y28.2Very low28.3Very low224 Ų224152.6 Ų152.688%0.87879%0.791SS**  trans-12651.9-174.7-68.2-83.8000113.9
626L26.7Very low28.3Very low176 Ų176153.3 Ų153.392%0.92180%0.8SS**  trans-105.663.2171.8-136.9100.6000110.2
627K26.8Very low28.1Very low203 Ų203156.9 Ų156.988%0.88381%0.806SS**SBendtrans-1505.9173.1-113.4178.7-171.3-178.60116.6
628M27.7Very low28Very low165 Ų165158.9 Ų158.981%0.81380%0.803SS**SBendtrans-112.4-3.8-177.3-132.6-170.5-74.300115.2
629F27.6Very low27.9Very low201 Ų201160.5 Ų160.588%0.88281%0.809SS**SBendtrans-109.7-0.1-177-106.4-90.3000115.3
630Y28.1Very low27.9Very low205 Ų205158.3 Ų158.380%0.80480%0.798SS**SBendtrans-109.49.8179.5-113.7-89.2000114.5
631L26.4Very low28Very low136 Ų136153 Ų15371%0.71279%0.786SS**SBendtrans-105.5-2.1178.2-132.187.8000114.6
632F27.5Very low28.1Very low201 Ų201154.9 Ų154.988%0.88277%0.774SS**SBendtrans-97.5-4-178.6-106.4-86.2000114.6
633A29.3Very low28.3Very low92 Ų92160.3 Ų160.376%0.7678%0.777SS**SBendtrans-107.88.517800000113.8
634L26.8Very low28.7Very low150 Ų150157 Ų15779%0.78577%0.769SS**SBendtrans-125.28.2179.4-97.8160000113.8E636L634-E636 PolarHBondContact O-N 3.06Å
635V30.4Very low28.9Very low106 Ų106154.1 Ų154.164%0.64276%0.762SS**  trans-97.155.6170.9-169.40000109
636E28.2Very low29.2Very low180 Ų180148.6 Ų148.684%0.84175%0.747SS**  trans-101.972.2165.5-167.2178.6-153.900106.9L634L634-E636 PolarHBondContact O-N 3.06Å
637K25.9Very low29.5Very low191 Ų191148.7 Ų148.783%0.8374%0.74SS**SBendtrans170.7133.6163.3-102.6166.1-179.7179.20108.5
638D26.7Very low30Very low141 Ų141141.6 Ų141.675%0.75472%0.717SS**  trans61.998.8174.6-85.6-30.2000116.5
639T29Very low30.5Very low120 Ų120135.1 Ų135.174%0.73669%0.692SS**  trans-170.691.1134.116.50000111.7
640D28.8Very low31.1Very low76 Ų76131 Ų13141%0.40668%0.679SS.*  trans-58.7147.5156.5-64.6-68.4000111.7K240 K642K240-D640 WeakPolarHBondContact CD-OD2 3.46Å; K240-D640 WeakPolarHBondContact CE-OD2 3.46Å; K240-D640 VanDerWaalsContact CG-OD2 3.25Å; K240-D640 WeakPolarHBondContact CG-OD2 3.36Å; K240-D640 IonicContact NZ-OD2 2.73Å; K240-D640 PolarHBondContact NZ-OD2 3.38Å; D640-K642 VanDerWaalsContact C-N 3.32Å; D640-K642 PolarHBondContact O-N 3.41Å
641S32.4Very low31.7Very low90 Ų90126.6 Ų126.663%0.62967%0.668SS**SBendtrans64.6-1.114161.20000120.7
642K30.4Very low32.5Very low150 Ų150125.8 Ų125.865%0.65266%0.664SS**  trans-94.3-13.7-174.8-72.4-175.7179179.70116.7D640D640-K642 VanDerWaalsContact C-N 3.32Å; D640-K642 PolarHBondContact O-N 3.41Å
643F32.2Very low33.4Very low187 Ų187121.4 Ų121.482%0.8265%0.649SS**Hα-helixtrans-84-20.2-177.1-111.7-91.7000115
644V35.2Very low34.1Very low121 Ų121119.3 Ų119.373%0.73363%0.631SS**Hα-helixtrans-83.7-26.9176.21800000111.7S648V644-S648 PolarHBondContact O-N 3.49Å; V644-S648 PolarHBondContact O-OG 3.45Å
645L33.4Very low35Very low121 Ų121116.1 Ų116.163%0.63461%0.614SS**Hα-helixtrans-74.6-27.6178.7-91.9152.3000113.9S648 G649L645-S648 WeakPolarHBondContact CA-OG 3.44Å; L645-S648 PolarHBondContact O-OG 3.41Å; L645-S648 VanDerWaalsContact O-OG 3.11Å; L645-G649 PolarHBondContact O-N 2.92Å
646L33.1Very low35.6Very low108 Ų108114.1 Ų114.157%0.56561%0.605SS**Hα-helixtrans-73.2-33.8177.2-99.2142.2000112.2L650L646-L650 WeakPolarHBondContact O-CD1 3.47Å; L646-L650 PolarHBondContact O-N 3.15Å
647F34.4Very low36.2Very low178 Ų178112.5 Ų112.578%0.78160%0.595SS**Hα-helixtrans-78.6-33.2176.7-122.4-93.6000112.7L651F647-L651 PolarHBondContact O-N 3.4Å
648S36.7Very low37.1Very low55 Ų55109.1 Ų109.139%0.38559%0.585SS.*Hα-helixtrans-73.2-33.1172.861.50000112.8V644 L645 L652V644-S648 PolarHBondContact O-N 3.49Å; V644-S648 PolarHBondContact O-OG 3.45Å; L645-S648 WeakPolarHBondContact CA-OG 3.44Å; L645-S648 PolarHBondContact O-OG 3.41Å; L645-S648 VanDerWaalsContact O-OG 3.11Å; S648-L652 VanDerWaalsContact O-N 3.15Å; S648-L652 PolarHBondContact O-N 3.49Å
649G38Very low37.7Very low28 Ų28108 Ų10829%0.28958%0.578SS.*Hα-helixtrans-69-42.7177.100000113.3L645 L652 I653L645-G649 PolarHBondContact O-N 2.92Å; G649-L652 PolarHBondContact O-N 3.43Å; G649-I653 WeakPolarHBondContact O-CD1 3.4Å; G649-I653 VanDerWaalsContact O-CG1 3.25Å; G649-I653 WeakPolarHBondContact O-CG1 3.43Å; G649-I653 PolarHBondContact O-N 2.98Å
650L40Very low38.3Very low116 Ų116109.3 Ų109.361%0.60758%0.578SS**Hα-helixtrans-67.7-34.5176.8-99131.3000112.8L646 I653 A654L646-L650 WeakPolarHBondContact O-CD1 3.47Å; L646-L650 PolarHBondContact O-N 3.15Å; L650-I653 PolarHBondContact O-N 3.46Å; L650-A654 WeakPolarHBondContact O-CB 3.47Å; L650-A654 PolarHBondContact O-N 2.83Å
651L40.3Very low38.9Very low112 Ų112114.1 Ų114.159%0.58660%0.595SS**Hα-helixtrans-69.1-39.1175.3-155.482.5000111.8F647 A654 I655F647-L651 PolarHBondContact O-N 3.4Å; L651-A654 PolarHBondContact O-N 3.4Å; L651-I655 PolarHBondContact O-N 3.12Å; L651-I655 WeakPolarHBondContact O-CG1 3.17Å; L651-I655 WeakPolarHBondContact O-CB 3.38Å; L651-I655 HydrophobicContact CG-CD1 4.16Å; L651-I655 HydrophobicContact CD2-CD1 4.35Å; L651-I655 WeakPolarHBondContact O-CD1 3.44Å
652L43.6Very low39.2Very low119 Ų119120.1 Ų120.162%0.62360%0.604SS**Hα-helixtrans-67.7-36.7174.5-85162.4000112.5S648 G649 S656S648-L652 VanDerWaalsContact O-N 3.15Å; S648-L652 PolarHBondContact O-N 3.49Å; G649-L652 PolarHBondContact O-N 3.43Å; L652-S656 VanDerWaalsContact O-CB 3.24Å; L652-S656 WeakPolarHBondContact O-CB 3.41Å; L652-S656 PolarHBondContact O-N 3.4Å
653I47.1Very low39.3Very low109 Ų109122.4 Ų122.456%0.55961%0.614SS**Hα-helixtrans-67.9-39.8174.7-67.9165000110.7G649 L650 S656 F657G649-I653 WeakPolarHBondContact O-CD1 3.4Å; G649-I653 VanDerWaalsContact O-CG1 3.25Å; G649-I653 WeakPolarHBondContact O-CG1 3.43Å; G649-I653 PolarHBondContact O-N 2.98Å; L650-I653 PolarHBondContact O-N 3.46Å; I653-S656 PolarHBondContact O-N 3.39Å; I653-F657 PolarHBondContact O-N 2.81Å
654A42.9Very low39.3Very low48 Ų48126.2 Ų126.240%0.39763%0.63SS.*Hα-helixtrans-66.5-42175.700000112.4L650 L651 F657 I658L650-A654 WeakPolarHBondContact O-CB 3.47Å; L650-A654 PolarHBondContact O-N 2.83Å; L651-A654 PolarHBondContact O-N 3.4Å; A654-F657 PolarHBondContact O-N 2.76Å; A654-I658 VanDerWaalsContact O-N 3.11Å; A654-I658 PolarHBondContact O-N 2.98Å; A654-I658 WeakPolarHBondContact O-CG1 3.34Å; A654-I658 VanDerWaalsContact O-CG1 3.27Å; A654-I658 WeakPolarHBondContact O-CD1 3.31Å
655I46.1Very low39.5Very low82 Ų82126.5 Ų126.542%0.42163%0.625SS.*Hα-helixtrans-67.3-37.2176.1-68.6166000111L651 I658 L659L651-I655 PolarHBondContact O-N 3.12Å; L651-I655 WeakPolarHBondContact O-CG1 3.17Å; L651-I655 WeakPolarHBondContact O-CB 3.38Å; L651-I655 HydrophobicContact CG-CD1 4.16Å; L651-I655 HydrophobicContact CD2-CD1 4.35Å; L651-I655 WeakPolarHBondContact O-CD1 3.44Å; I655-I658 PolarHBondContact O-N 3.12Å; I655-L659 HydrophobicContact CG2-CD1 3.87Å; I655-L659 WeakPolarHBondContact O-CB 3.39Å; I655-L659 WeakPolarHBondContact O-CG 3.3Å; I655-L659 PolarHBondContact O-N 2.91Å
656S42.6Very low39.9Very low65 Ų65126.7 Ų126.746%0.45563%0.625SS.*Hα-helixtrans-68.7-36.7176.2-154.50000112.5L652 I653 L659 M660L652-S656 VanDerWaalsContact O-CB 3.24Å; L652-S656 WeakPolarHBondContact O-CB 3.41Å; L652-S656 PolarHBondContact O-N 3.4Å; I653-S656 PolarHBondContact O-N 3.39Å; S656-L659 PolarHBondContact O-N 3.43Å; S656-M660 WeakPolarHBondContact O-CB 3.33Å; S656-M660 WeakPolarHBondContact O-CG 3.39Å; S656-M660 PolarHBondContact O-N 3.04Å
657F42.6Very low40.2Very low145 Ų145127.8 Ų127.864%0.63663%0.628SS**Hα-helixtrans-67.4-35174.1-118.1-91.7000113I653 A654 K661I653-F657 PolarHBondContact O-N 2.81Å; A654-F657 PolarHBondContact O-N 2.76Å; F657-K661 PolarHBondContact O-N 3.33Å
658I44.4Very low40.6Very low121 Ų121124.8 Ų124.862%0.62162%0.619SS**Hα-helixtrans-73.4-33.6176.9-68166.6000111.2A654 I655A654-I658 VanDerWaalsContact O-N 3.11Å; A654-I658 PolarHBondContact O-N 2.98Å; A654-I658 WeakPolarHBondContact O-CG1 3.34Å; A654-I658 VanDerWaalsContact O-CG1 3.27Å; A654-I658 WeakPolarHBondContact O-CD1 3.31Å; I655-I658 PolarHBondContact O-N 3.12Å
659L39.7Very low40.8Very low117 Ų117129.2 Ų129.261%0.61363%0.634SS**Hα-helixtrans-78.8-32.2176.3-71.9168.1000113.2I655 S656 R662I655-L659 HydrophobicContact CG2-CD1 3.87Å; I655-L659 WeakPolarHBondContact O-CB 3.39Å; I655-L659 WeakPolarHBondContact O-CG 3.3Å; I655-L659 PolarHBondContact O-N 2.91Å; S656-L659 PolarHBondContact O-N 3.43Å; L659-R662 PolarHBondContact O-N 3.19Å
660M39.8Very low41Very low148 Ų148135.9 Ų135.973%0.72966%0.657SS**Hα-helixtrans-72.4-25.9176.4-80-174.874.600113.8S656 R662S656-M660 WeakPolarHBondContact O-CB 3.33Å; S656-M660 WeakPolarHBondContact O-CG 3.39Å; S656-M660 PolarHBondContact O-N 3.04Å; M660-R662 VanDerWaalsContact C-N 3.27Å; M660-R662 PolarHBondContact O-N 3.38Å
661K42.4Very low41.1Very low176 Ų176137.4 Ų137.477%0.76566%0.66SS**THydrogen-bonded Turntrans-77.9-3.9175.7-91.6-167.5174.7-175.10114.8F657F657-K661 PolarHBondContact O-N 3.33Å
662R38.2Very low41.2Very low216 Ų216139.3 Ų139.382%0.81567%0.666SS**THydrogen-bonded Turntrans-100.213.1177.8-95.6-174.8173-178.1-1.3114.6L659 M660L659-R662 PolarHBondContact O-N 3.19Å; M660-R662 VanDerWaalsContact C-N 3.27Å; M660-R662 PolarHBondContact O-N 3.38Å
663K32.8Very low41Very low198 Ų198141 Ų14186%0.86167%0.669SS**  trans-119.425.5179.6-109.8-169.9-179.4-174.10114.8
664K33.1Very low40.4Very low267 Ų267143.9 Ų143.9100%1.16168%0.679SS**  trans-1230158-81.7-172.3-179.8-173.80107

Retrieved 664 of 664 residues in 593 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).