A0A087XQ69_POEFO Loading...

Rab11 family-interacting protein 2

A Rab11 effector binding preferentially phosphatidylinositol 3,4,5-trisphosphate (PtdInsP3) and phosphatidic acid (PA) and acting in the regulation of the transport of vesicles from the endosomal recycling compartment (ERC) to the plasma membrane. Involved in insulin granule exocytosis. Also involved in receptor-mediated endocytosis and membrane trafficking of recycling endosomes, probably originating from clathrin-coated vesicles. Required in a complex with MYO5B and RAB11 for the transport of NPC1L1 to the plasma membrane. Also acts as a regulator of cell polarity. Plays an essential role in phagocytosis through a mechanism involving TICAM2, RAC1 and CDC42 Rho GTPases for controlling actin-dynamics.

AlphaFold DB , UniProt , Accession A0A087XQ69, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 472 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.9Very low51.8Low210 Ų210103 Ų103100%1.03453%0.528SS*.  01520-69.7174.8175.400108.1
2S41.8Very low54.1Low55 Ų5595.1 Ų95.139%0.38549%0.488SS..  trans-82.7153-179.869.40000112.1A4 E5 Q6S2-A4 PolarHBondContact O-N 3.24Å; S2-E5 WeakPolarHBondContact CB-OE2 3.37Å; S2-E5 PolarHBondContact N-OE2 2.94Å; S2-E5 PolarHBondContact O-N 2.86Å; S2-E5 VanDerWaalsContact O-N 3.1Å; S2-E5 WeakPolarHBondContact OG-CG 3.33Å; S2-E5 PolarHBondContact OG-N 2.91Å; S2-E5 PolarHBondContact OG-OE2 2.74Å; S2-Q6 PolarHBondContact O-N 2.67Å
3L49.8Very low56.2Low144 Ų14489.4 Ų89.475%0.75446%0.46SS*.Hα-helixtrans-60.8-24.6174.1-116157.9000112.4Q6 S7L3-Q6 PolarHBondContact O-N 3.29Å; L3-S7 PolarHBondContact O-N 3.18Å
4A44Very low58.4Low71 Ų7186.2 Ų86.259%0.58744%0.442SS*.Hα-helixtrans-80.6-18176.700000114.3S2 S7S2-A4 PolarHBondContact O-N 3.24Å; A4-S7 PolarHBondContact O-OG 3.31Å
5E47.5Very low60.5Low112 Ų11280.5 Ų80.552%0.52341%0.413SS..Hα-helixtrans-81.8-31.5167.9-71.5159.9105.300111S2S2-E5 WeakPolarHBondContact CB-OE2 3.37Å; S2-E5 PolarHBondContact N-OE2 2.94Å; S2-E5 PolarHBondContact O-N 2.86Å; S2-E5 VanDerWaalsContact O-N 3.1Å; S2-E5 WeakPolarHBondContact OG-CG 3.33Å; S2-E5 PolarHBondContact OG-N 2.91Å; S2-E5 PolarHBondContact OG-OE2 2.74Å
6Q49.3Very low62.5Low75 Ų7577.6 Ų77.635%0.3540%0.397SS..Hα-helixtrans-67.2-36.3178-70178.7-24.900112.2S2 L3 Q8 K9S2-Q6 PolarHBondContact O-N 2.67Å; L3-Q6 PolarHBondContact O-N 3.29Å; Q6-Q8 VanDerWaalsContact C-N 3.3Å; Q6-Q8 PolarHBondContact O-N 3.36Å; Q6-K9 PolarHBondContact O-N 3.02Å
7S46.4Very low64.4Low56 Ų5673 Ų7339%0.39237%0.374SS..THydrogen-bonded Turntrans-63-32178.756.60000114L3 A4 M156L3-S7 PolarHBondContact O-N 3.18Å; A4-S7 PolarHBondContact O-OG 3.31Å; S7-M156 WeakPolarHBondContact CB-SD 3.3Å
8Q46.3Very low66.1Low179 Ų17970.3 Ų70.384%0.83636%0.361SS*.THydrogen-bonded Turntrans-84.5-11.2177.1-66.5-166.7-11.900113.8Q6 W10Q6-Q8 VanDerWaalsContact C-N 3.3Å; Q6-Q8 PolarHBondContact O-N 3.36Å; Q8-W10 PolarHBondContact O-N 3.17Å
9K58.1Low67.8Low75 Ų7566.6 Ų66.633%0.32634%0.342SS..SBendtrans-83.5110.2175.6-162.8171.6-174.1-178.10109.4Q6 F11 D110Q6-K9 PolarHBondContact O-N 3.02Å; K9-F11 HydrophobicContact CB-CE2 3.94Å; K9-F11 HydrophobicContact CB-CZ 4.1Å; K9-F11 HydrophobicContact CD-CE1 4.26Å; K9-F11 HydrophobicContact CD-CZ 4.07Å; K9-F11 HydrophobicContact CG-CE2 4.4Å; K9-F11 HydrophobicContact CG-CZ 4.21Å; K9-F11 WeakPolarHBondContact O-CD2 3.49Å; K9-F11 VanDerWaalsContact O-CE2 3.27Å; K9-F11 WeakPolarHBondContact O-CE2 3.49Å; K9-F11 PolarHBondContact O-N 2.84Å; K9-D110 WeakPolarHBondContact CE-OD1 3.32Å; K9-D110 IonicContact NZ-OD1 3.82Å; K9-D110 PolarHBondContact NZ-OD1 3.46Å; K9-D110 IonicContact NZ-OD2 2.76Å
10W70.8Confident69.2Low114 Ų11464.8 Ų64.843%0.43233%0.333SS..  trans-58.9126.8166.9-179.598.2000109.2Q8 P12 F109 F142 R144Q8-W10 PolarHBondContact O-N 3.17Å; W10-P12 HydrophobicContact CH2-CB 3.85Å; W10-P12 HydrophobicContact CZ3-CB 3.68Å; W10-P12 HydrophobicContact CZ3-CG 4.16Å; W10-F109 AromaticContact CE3-CE2 3.75Å; W10-F109 HydrophobicContact CE3-CE2 3.75Å; W10-F109 AromaticContact CE3-CZ 3.97Å; W10-F109 HydrophobicContact CE3-CZ 3.97Å; W10-F109 AromaticContact CZ3-CE2 3.66Å; W10-F109 HydrophobicContact CZ3-CE2 3.66Å; W10-F109 HydrophobicContact CZ3-CZ 4.3Å; W10-F109 VanDerWaalsContact O-CZ 3.27Å; W10-F109 WeakPolarHBondContact O-CZ 3.39Å; W10-F142 HydrophobicContact CH2-CB 4Å; W10-F142 HydrophobicContact CZ3-CB 4.05Å; W10-R144 HydrophobicContact CH2-CB 4.38Å; W10-R144 HydrophobicContact CZ2-CB 3.48Å; W10-R144 VanDerWaalsContact CZ2-CB 3.48Å
11F71.9Confident70.5Confident42 Ų4263.9 Ų63.918%0.18433%0.327CS..  trans-109.3135.1173.8-70.4-83.3000110.3K9 L72 R144K9-F11 HydrophobicContact CB-CE2 3.94Å; K9-F11 HydrophobicContact CB-CZ 4.1Å; K9-F11 HydrophobicContact CD-CE1 4.26Å; K9-F11 HydrophobicContact CD-CZ 4.07Å; K9-F11 HydrophobicContact CG-CE2 4.4Å; K9-F11 HydrophobicContact CG-CZ 4.21Å; K9-F11 WeakPolarHBondContact O-CD2 3.49Å; K9-F11 VanDerWaalsContact O-CE2 3.27Å; K9-F11 WeakPolarHBondContact O-CE2 3.49Å; K9-F11 PolarHBondContact O-N 2.84Å; F11-L72 HydrophobicContact CD1-CB 4.49Å; F11-L72 HydrophobicContact CD1-CD1 4.01Å; F11-L72 HydrophobicContact CD1-CG 4.35Å; F11-L72 HydrophobicContact CE1-CB 4.41Å; F11-L72 HydrophobicContact CE1-CD1 4.36Å; F11-R144 VanDerWaalsContact O-CD 3.28Å; F11-R144 WeakPolarHBondContact O-CD 3.27Å
12P79.4Confident73.1Confident8 Ų853.9 Ų53.95%0.05228%0.278CS..  trans-73.9150.5170.831.3-33.1000111.1W10 L68 F109 F142 M143W10-P12 HydrophobicContact CH2-CB 3.85Å; W10-P12 HydrophobicContact CZ3-CB 3.68Å; W10-P12 HydrophobicContact CZ3-CG 4.16Å; P12-L68 HydrophobicContact CB-CD1 4.01Å; P12-L68 HydrophobicContact CG-CD1 3.92Å; P12-F109 HydrophobicContact CG-CD2 4.19Å; P12-F109 HydrophobicContact CG-CE2 4.26Å; P12-F109 HydrophobicContact CG-CG 4.48Å; P12-F142 HydrophobicContact CB-CB 3.96Å; P12-F142 HydrophobicContact CB-CD1 4.01Å; P12-F142 HydrophobicContact CB-CG 4.4Å; P12-F142 HydrophobicContact CG-CB 4.44Å; P12-F142 HydrophobicContact CG-CD1 3.89Å; P12-F142 HydrophobicContact CG-CG 4.44Å; P12-M143 CarbonylContact C-O 3.54Å; P12-M143 VanDerWaalsContact CA-O 3.28Å; P12-M143 WeakPolarHBondContact CA-O 3.44Å; P12-M143 WeakPolarHBondContact CB-O 3.43Å
13T81.4Confident75.6Confident21 Ų2152.9 Ų52.913%0.12927%0.271CS..SBendtrans-115.7-12.9171.361.20000111.9L68 M143 R144 N145T13-L68 PolarHBondContact O-N 3.49Å; T13-M143 PolarHBondContact N-O 3.44Å; T13-R144 HydrophobicContact CG2-CG 4.28Å; T13-N145 WeakPolarHBondContact CB-OD1 3.38Å; T13-N145 PolarHBondContact OG1-N 2.88Å; T13-N145 VanDerWaalsContact OG1-N 3.11Å; T13-N145 PolarHBondContact OG1-OD1 3.48Å
14H86.4Confident77.7Confident45 Ų4548.1 Ų48.121%0.20826%0.257CS..EExtended strand (participates in β ladder)trans-140.2151.1178.6-7358.1000109.6F66 E67 M143 N145H14-F66 VanDerWaalsContact CA-O 3.31Å; H14-F66 WeakPolarHBondContact CA-O 3.31Å; H14-E67 IonicContact CE1-OE1 2.68Å; H14-M143 HydrophobicContact CB-CB 4.2Å; H14-M143 HydrophobicContact CB-CE 4.03Å; H14-M143 PolarHBondContact N-O 3.39Å; H14-M143 PolarHBondContact O-N 2.74Å; H14-N145 PolarHBondContact CE1-ND2 3.37Å
15V89.8Confident80Confident0 Ų044.9 Ų44.90%023%0.23CC..EExtended strand (participates in β ladder)trans-126.3126.2170.862.50000110.5L42 S65 F66 L68 L105 I140 F142V15-L42 HydrophobicContact CG1-CD2 3.57Å; V15-S65 WeakPolarHBondContact O-CA 3.38Å; V15-F66 HydrophobicContact CG1-CB 3.99Å; V15-F66 HydrophobicContact CG1-CD2 4.33Å; V15-F66 PolarHBondContact N-O 3.35Å; V15-F66 PolarHBondContact O-N 2.76Å; V15-L68 HydrophobicContact CB-CD1 4.28Å; V15-L68 HydrophobicContact CB-CD2 4.4Å; V15-L68 HydrophobicContact CB-CG 4.39Å; V15-L68 HydrophobicContact CG1-CD2 3.81Å; V15-L68 HydrophobicContact CG1-CG 4.21Å; V15-L105 HydrophobicContact CB-CD1 4.4Å; V15-L105 HydrophobicContact CG1-CD1 3.87Å; V15-L105 HydrophobicContact CG2-CD1 4.25Å; V15-L105 HydrophobicContact CG2-CD2 4.3Å; V15-I140 HydrophobicContact CG2-CG2 3.81Å; V15-F142 HydrophobicContact CB-CD1 4.36Å; V15-F142 HydrophobicContact CB-CE1 4.46Å; V15-F142 HydrophobicContact CG2-CD1 4.19Å; V15-F142 HydrophobicContact CG2-CE1 4.08Å
16Q92.6Very high82.1Confident34 Ų3443.7 Ų43.716%0.15922%0.224CC..EExtended strand (participates in β ladder)trans-100.4110.1178-175.9-175.914.300107.9E63 Q141 M143Q16-E63 HydrophobicContact CG-CG 3.78Å; Q16-E63 PolarHBondContact NE2-OE1 3.32Å; Q16-E63 VanDerWaalsContact NE2-OE1 3.17Å; Q16-E63 PolarHBondContact NE2-OE2 3.11Å; Q16-Q141 HydrophobicContact CB-CB 4.25Å; Q16-Q141 WeakPolarHBondContact CB-O 3.25Å; Q16-Q141 PolarHBondContact N-O 3.16Å; Q16-Q141 PolarHBondContact O-N 2.79Å; Q16-M143 HydrophobicContact CB-CE 3.93Å; Q16-M143 HydrophobicContact CB-SD 4.31Å
17A94.9Very high84.1Confident0 Ų043 Ų430%023%0.226CC..EExtended strand (participates in β ladder)trans-106.7109.3177.200000109.7I40 A64 F66 L82 S139A17-I40 HydrophobicContact CB-CG2 4.25Å; A17-A64 PolarHBondContact N-O 3.1Å; A17-A64 PolarHBondContact O-N 3.21Å; A17-F66 HydrophobicContact CB-CE2 4.26Å; A17-L82 HydrophobicContact CB-CD1 4.47Å; A17-L82 HydrophobicContact CB-CD2 4.13Å; A17-S139 WeakPolarHBondContact CA-O 3.35Å
18T96.3Very high86.1Confident24 Ų2444 Ų4415%0.14722%0.224CC..EExtended strand (participates in β ladder)trans-99.6112.8175.2-42.80000109.8L20 E62 E63 V138 S139T18-L20 HydrophobicContact CG2-CD2 3.9Å; T18-L20 PolarHBondContact O-N 2.59Å; T18-E62 CarbonylContact C-O 3.45Å; T18-E62 VanDerWaalsContact CA-O 3.27Å; T18-E62 WeakPolarHBondContact CA-O 3.43Å; T18-E62 VanDerWaalsContact CG2-O 3.31Å; T18-E62 WeakPolarHBondContact CG2-O 3.34Å; T18-E63 HydrophobicContact CG2-CB 4.46Å; T18-V138 WeakPolarHBondContact O-CA 3.34Å; T18-S139 PolarHBondContact N-O 2.91Å; T18-S139 PolarHBondContact O-N 3.34Å
19V97.1Very high87.9Confident0 Ų036.2 Ų36.20%019%0.191CC..EExtended strand (participates in β ladder)trans-84.9108.8171.6168.70000108.1T38 I40 T49 W60 R61 E62 L84 I136V19-T38 HydrophobicContact CG1-CG2 4.29Å; V19-T38 HydrophobicContact CG2-CG2 4.15Å; V19-I40 HydrophobicContact CB-CD1 4.15Å; V19-I40 HydrophobicContact CG2-CD1 3.52Å; V19-I40 HydrophobicContact CG2-CG1 3.85Å; V19-T49 HydrophobicContact CB-CG2 4.46Å; V19-T49 HydrophobicContact CG1-CG2 4.47Å; V19-W60 HydrophobicContact CG1-CD2 4.29Å; V19-W60 HydrophobicContact CG1-CE3 3.5Å; V19-W60 VanDerWaalsContact CG1-CE3 3.5Å; V19-W60 HydrophobicContact CG1-CZ3 3.89Å; V19-R61 WeakPolarHBondContact O-CA 3.4Å; V19-R61 PolarHBondContact O-N 3.33Å; V19-E62 PolarHBondContact N-O 3.35Å; V19-E62 PolarHBondContact O-N 3.16Å; V19-E62 VanDerWaalsContact O-N 3.15Å; V19-L84 HydrophobicContact CG2-CD2 4.17Å; V19-I136 HydrophobicContact CG1-CD1 3.93Å; V19-I136 HydrophobicContact CG1-CG1 4.37Å; V19-I136 HydrophobicContact CG2-CD1 4.41Å
20L96.8Very high88.8Confident30 Ų3041.4 Ų41.416%0.15721%0.213CC..EExtended strand (participates in β ladder)trans-81.7-56.8-174.8-66.9176000110.9T18 W60 R61 T117 E137T18-L20 HydrophobicContact CG2-CD2 3.9Å; T18-L20 PolarHBondContact O-N 2.59Å; L20-W60 PolarHBondContact O-N 2.9Å; L20-R61 HydrophobicContact CD2-CB 4.46Å; L20-R61 HydrophobicContact CD2-CG 4.27Å; L20-R61 PolarHBondContact O-N 2.98Å; L20-T117 HydrophobicContact CD1-CG2 3.51Å; L20-E137 HydrophobicContact CB-CB 4.39Å; L20-E137 HydrophobicContact CB-CG 4.49Å; L20-E137 HydrophobicContact CD1-CG 4.19Å; L20-E137 PolarHBondContact N-O 3.21Å
21Q96.8Very high89.3Confident46 Ų4642.5 Ų42.522%0.21523%0.228CC..EExtended strand (participates in β ladder)trans-163.9165.5-174.654.8-171.64.900110.7P58 V59 W119 E137Q21-P58 CarbonylContact C-O 3.48Å; Q21-P58 WeakPolarHBondContact CA-O 3.4Å; Q21-P58 VanDerWaalsContact CB-O 3.25Å; Q21-P58 WeakPolarHBondContact CB-O 3.46Å; Q21-V59 HydrophobicContact CB-CB 4.32Å; Q21-V59 HydrophobicContact CB-CG1 4.43Å; Q21-V59 HydrophobicContact CB-CG2 3.95Å; Q21-W119 HydrophobicContact CG-CH2 4Å; Q21-W119 HydrophobicContact CG-CZ2 4.31Å; Q21-E137 HydrophobicContact CG-CB 3.92Å; Q21-E137 WeakPolarHBondContact CG-OE2 3.44Å; Q21-E137 PolarHBondContact NE2-OE2 2.99Å; Q21-E137 PolarHBondContact O-N 3.12Å
22A96.8Very high89.8Confident1 Ų142.9 Ų42.91%0.00824%0.244CC..EExtended strand (participates in β ladder)trans-124.8161.8161.900000109.9L25 D57 P58 W60 R135 I136A22-L25 HydrophobicContact CB-CD1 4.02Å; A22-L25 HydrophobicContact CB-CD2 3.98Å; A22-L25 HydrophobicContact CB-CG 4.08Å; A22-D57 CarbonylContact O-C 3.49Å; A22-D57 VanDerWaalsContact O-CA 3.22Å; A22-D57 WeakPolarHBondContact O-CA 3.3Å; A22-P58 HydrophobicContact CB-CG 4.01Å; A22-P58 PolarHBondContact N-O 2.95Å; A22-P58 WeakPolarHBondContact O-CD 3.48Å; A22-W60 HydrophobicContact CB-CH2 4.01Å; A22-W60 HydrophobicContact CB-CZ3 3.8Å; A22-R135 CarbonylContact C-O 3.58Å; A22-R135 WeakPolarHBondContact CA-O 3.31Å; A22-R135 WeakPolarHBondContact CB-O 3.48Å; A22-I136 HydrophobicContact CB-CB 4.3Å; A22-I136 HydrophobicContact CB-CG1 4.26Å
23S95.8Very high90.3Very high34 Ų3444.4 Ų44.424%0.23825%0.253CS..EExtended strand (participates in β ladder)trans-145.1147.7-178.1178.30000112L25 D57 G134 R135S23-L25 VanDerWaalsContact C-N 3.33Å; S23-L25 PolarHBondContact O-N 2.72Å; S23-D57 WeakPolarHBondContact CA-OD1 3.32Å; S23-D57 WeakPolarHBondContact CB-OD1 3.47Å; S23-D57 PolarHBondContact OG-OD1 3.48Å; S23-G134 CarbonylContact O-C 3.6Å; S23-G134 VanDerWaalsContact O-CA 3.28Å; S23-G134 WeakPolarHBondContact O-CA 3.46Å; S23-R135 PolarHBondContact N-O 2.86Å; S23-R135 PolarHBondContact O-N 3.33Å
24G92.6Very high90.8Very high43 Ų4343.4 Ų43.444%0.44325%0.247SC..SBendtrans67.328.2-178.600000114.1Q26 D57 G134G24-Q26 PolarHBondContact O-N 2.88Å; G24-D57 PolarHBondContact N-OD1 3.37Å; G24-G134 VanDerWaalsContact O-CA 3.27Å; G24-G134 WeakPolarHBondContact O-CA 3.45Å
25L93.6Very high91.3Very high4 Ų442.1 Ų42.12%0.02124%0.242CC..PPolyproline II helixtrans-67125.7-178.2-62.9-177.2000111.2A22 S23 A36 A56 P58 V86 L98 L122A22-L25 HydrophobicContact CB-CD1 4.02Å; A22-L25 HydrophobicContact CB-CD2 3.98Å; A22-L25 HydrophobicContact CB-CG 4.08Å; S23-L25 VanDerWaalsContact C-N 3.33Å; S23-L25 PolarHBondContact O-N 2.72Å; L25-A36 HydrophobicContact CD1-CB 4.19Å; L25-A56 VanDerWaalsContact CB-O 3.27Å; L25-A56 WeakPolarHBondContact CB-O 3.12Å; L25-A56 WeakPolarHBondContact CG-O 3.27Å; L25-A56 PolarHBondContact N-O 3.13Å; L25-A56 VanDerWaalsContact N-O 3.08Å; L25-P58 HydrophobicContact CD1-CG 3.54Å; L25-V86 HydrophobicContact CD1-CG1 3.89Å; L25-V86 HydrophobicContact CD2-CG1 4.38Å; L25-L98 HydrophobicContact CD1-CD1 3.97Å; L25-L122 HydrophobicContact CD2-CD1 3.44Å; L25-L122 VanDerWaalsContact CD2-CD1 3.44Å
26Q91.2Very high91.5Very high86 Ų8642.1 Ų42.140%0.40224%0.242SC..PPolyproline II helixtrans-56.5125.4179.5-75.9-70-47.100111.8G24 N34 L98G24-Q26 PolarHBondContact O-N 2.88Å; Q26-N34 PolarHBondContact O-ND2 3.28Å; Q26-N34 VanDerWaalsContact O-ND2 3.11Å; Q26-L98 WeakPolarHBondContact O-CD2 3.46Å
27P90.7Very high91.8Very high62 Ų6242.3 Ų42.340%0.40324%0.241SC..PPolyproline II helixtrans-71.6135.9-171.128-36.3000112.7G32P27-G32 WeakPolarHBondContact CB-O 3.07Å
28K88.3Confident91.9Very high77 Ų7742.3 Ų42.334%0.33524%0.241SC..  trans-140.1-8.5-176.4-64.7-69.2159-85.20114.3N34 K96 L98K28-N34 PolarHBondContact N-OD1 2.93Å; K28-K96 HydrophobicContact CB-CB 4.31Å; K28-K96 HydrophobicContact CB-CD 4.02Å; K28-K96 WeakPolarHBondContact O-CD 3.03Å; K28-K96 PolarHBondContact O-NZ 3.37Å; K28-L98 HydrophobicContact CB-CD2 3.98Å; K28-L98 HydrophobicContact CG-CD2 3.64Å
29G83.8Confident91.9Very high15 Ų1542 Ų4216%0.15524%0.239CC..SBendtrans-77.1172.1170.200000113N31 T33 H88G29-N31 VanDerWaalsContact C-N 3.29Å; G29-N31 PolarHBondContact O-N 3.23Å; G29-T33 WeakPolarHBondContact CA-O 3.14Å; G29-T33 PolarHBondContact N-O 2.83Å; G29-H88 WeakPolarHBondContact CA-NE2 3.27Å; G29-H88 PolarHBondContact N-NE2 3.43Å
30K78.3Confident91.9Very high183 Ų18342 Ų4280%0.79624%0.239SC*.THydrogen-bonded Turntrans-67.2-27.8-175.2-67-175.9178.4-177.90113.4
31N80.4Confident91.8Very high137 Ų13744.1 Ų44.173%0.73325%0.248SC*.THydrogen-bonded Turntrans-104.819.9-170.8-60.528.8000112.7G29 T33G29-N31 VanDerWaalsContact C-N 3.29Å; G29-N31 PolarHBondContact O-N 3.23Å; N31-T33 PolarHBondContact O-N 2.64Å
32G83.6Confident91.5Very high51 Ų5142.4 Ų42.453%0.52624%0.24SC..SBendtrans724.3-171.600000114.5P27P27-G32 WeakPolarHBondContact CB-O 3.07Å
33T89.1Confident91Very high39 Ų3943.7 Ų43.724%0.23925%0.253CS..  trans-102.6174.3175.657.60000111.6G29 N31 K54G29-T33 WeakPolarHBondContact CA-O 3.14Å; G29-T33 PolarHBondContact N-O 2.83Å; N31-T33 PolarHBondContact O-N 2.64Å; T33-K54 HydrophobicContact CG2-CB 4.43Å; T33-K54 WeakPolarHBondContact CG2-O 3.26Å
34N93.1Very high90.4Very high0 Ų052.2 Ų52.20%029%0.286CS..EExtended strand (participates in β ladder)trans-122.7144.8165-64.7-51.1000110.9Q26 K28 A36 K54 T55 L98Q26-N34 PolarHBondContact O-ND2 3.28Å; Q26-N34 VanDerWaalsContact O-ND2 3.11Å; K28-N34 PolarHBondContact N-OD1 2.93Å; N34-A36 HydrophobicContact CB-CB 4.26Å; N34-K54 PolarHBondContact O-N 3.41Å; N34-K54 VanDerWaalsContact O-N 3.1Å; N34-T55 WeakPolarHBondContact CA-O 3.32Å; N34-T55 WeakPolarHBondContact CB-O 3.28Å; N34-T55 PolarHBondContact N-O 2.92Å; N34-T55 PolarHBondContact O-N 2.89Å; N34-L98 HydrophobicContact CB-CD1 4Å
35D94.9Very high90.3Very high19 Ų1954.6 Ų54.610%0.10229%0.285CS..EExtended strand (participates in β ladder)trans-97.494.7161.4-50.8-54.1000106.7V51 A52 E53 K54 H88 R89D35-V51 HydrophobicContact CB-CG1 4.03Å; D35-A52 CarbonylContact C-O 3.45Å; D35-A52 WeakPolarHBondContact CA-O 3.21Å; D35-E53 WeakPolarHBondContact OD1-CA 3.28Å; D35-K54 PolarHBondContact OD1-N 3.27Å; D35-H88 PolarHBondContact N-CE1 3.44Å; D35-H88 PolarHBondContact N-ND1 3.1Å; D35-H88 CarbonylContact O-C 3.55Å; D35-H88 VanDerWaalsContact O-CA 3.25Å; D35-H88 WeakPolarHBondContact O-CA 3.33Å; D35-H88 PolarHBondContact O-ND1 2.88Å; D35-H88 IonicContact OD2-CE1 2.64Å; D35-H88 PolarHBondContact OD2-CE1 2.86Å; D35-R89 HydrophobicContact CB-CB 4.49Å; D35-R89 PolarHBondContact O-N 3.42Å
36A95.7Very high90.4Very high0 Ų060.6 Ų60.60%031%0.311CS..EExtended strand (participates in β ladder)trans-108.1138.3-159.200000113.7L25 N34 V51 A52 P58 W60 M87 L98L25-A36 HydrophobicContact CD1-CB 4.19Å; N34-A36 HydrophobicContact CB-CB 4.26Å; A36-V51 CarbonylContact O-C 3.47Å; A36-V51 WeakPolarHBondContact O-CA 3.39Å; A36-A52 PolarHBondContact N-O 2.72Å; A36-A52 PolarHBondContact O-N 2.95Å; A36-P58 HydrophobicContact CB-CB 4.16Å; A36-P58 HydrophobicContact CB-CG 3.98Å; A36-W60 HydrophobicContact CB-CZ2 4.17Å; A36-W60 PolarHBondContact O-NE1 3.42Å; A36-M87 WeakPolarHBondContact CA-O 3.45Å; A36-L98 HydrophobicContact CB-CD1 4.01Å
37Y97.2Very high90.6Very high37 Ų3761 Ų6115%0.14531%0.31CS..EExtended strand (participates in β ladder)trans-137.6158169.969.5-84.4000111.3I39 S50 V51 V86 M87 R89 D95Y37-I39 HydrophobicContact CD2-CG1 4.39Å; Y37-I39 HydrophobicContact CE2-CD1 4.15Å; Y37-I39 HydrophobicContact CE2-CG1 3.89Å; Y37-S50 WeakPolarHBondContact CB-O 3.42Å; Y37-V51 HydrophobicContact CD1-CG2 4.23Å; Y37-V51 HydrophobicContact CG-CG2 4.42Å; Y37-V86 WeakPolarHBondContact O-CA 3.2Å; Y37-M87 HydrophobicContact CD1-CB 4.13Å; Y37-M87 HydrophobicContact CD2-CB 4.47Å; Y37-M87 HydrophobicContact CE1-CB 3.61Å; Y37-M87 HydrophobicContact CE2-CB 3.99Å; Y37-M87 HydrophobicContact CE2-CG 4.33Å; Y37-M87 PolarHBondContact N-O 3.27Å; Y37-M87 PolarHBondContact O-N 3.38Å; Y37-R89 HydrophobicContact CD1-CB 4.25Å; Y37-R89 HydrophobicContact CE1-CB 4.18Å; Y37-D95 VanDerWaalsContact CE1-OD2 3.24Å; Y37-D95 WeakPolarHBondContact CE1-OD2 3.49Å; Y37-D95 VanDerWaalsContact CZ-OD2 3.31Å; Y37-D95 PolarHBondContact OH-OD2 3Å
38T97.4Very high90.9Very high0 Ų060.5 Ų60.50%031%0.308CS..EExtended strand (participates in β ladder)trans-113.4124.4177.5-61.20000110.5V19 I40 S48 T49 W60 V86 I136V19-T38 HydrophobicContact CG1-CG2 4.29Å; V19-T38 HydrophobicContact CG2-CG2 4.15Å; T38-I40 HydrophobicContact CG2-CG1 4.24Å; T38-S48 WeakPolarHBondContact O-CA 3.38Å; T38-T49 PolarHBondContact N-OG1 3.35Å; T38-T49 PolarHBondContact O-N 3.3Å; T38-W60 WeakPolarHBondContact OG1-CH2 3.35Å; T38-W60 WeakPolarHBondContact OG1-CZ3 3.29Å; T38-V86 HydrophobicContact CG2-CG2 4.48Å; T38-I136 HydrophobicContact CG2-CD1 3.87Å
39I96.9Very high91.3Very high19 Ų1957.3 Ų57.310%0.09730%0.295CS..EExtended strand (participates in β ladder)trans-78.2128.7162.6-71.5164.1000107.9Y37 Q41 K46 L84 T85 M87Y37-I39 HydrophobicContact CD2-CG1 4.39Å; Y37-I39 HydrophobicContact CE2-CD1 4.15Å; Y37-I39 HydrophobicContact CE2-CG1 3.89Å; I39-Q41 HydrophobicContact CG2-CB 4.41Å; I39-K46 HydrophobicContact CG2-CD 4.06Å; I39-K46 HydrophobicContact CG2-CG 3.92Å; I39-L84 CarbonylContact O-C 3.58Å; I39-L84 WeakPolarHBondContact O-CA 3.27Å; I39-T85 WeakPolarHBondContact CB-O 3.34Å; I39-T85 PolarHBondContact N-O 3.18Å; I39-T85 PolarHBondContact O-N 3.38Å; I39-M87 HydrophobicContact CD1-CG 4.07Å
40I96.4Very high91.9Very high0 Ų059.8 Ų59.80%031%0.309CS..EExtended strand (participates in β ladder)trans-114.4114.3173.2-46.9176.3000106.5A17 V19 T38 K46 Y47 T49 A64 F66 L82 L84A17-I40 HydrophobicContact CB-CG2 4.25Å; V19-I40 HydrophobicContact CB-CD1 4.15Å; V19-I40 HydrophobicContact CG2-CD1 3.52Å; V19-I40 HydrophobicContact CG2-CG1 3.85Å; T38-I40 HydrophobicContact CG2-CG1 4.24Å; I40-K46 CarbonylContact O-C 3.58Å; I40-K46 WeakPolarHBondContact O-CA 3.43Å; I40-Y47 HydrophobicContact CD1-CD1 4.04Å; I40-Y47 PolarHBondContact N-O 2.73Å; I40-Y47 PolarHBondContact O-N 2.68Å; I40-T49 HydrophobicContact CD1-CG2 4.43Å; I40-A64 HydrophobicContact CB-CB 4.49Å; I40-A64 HydrophobicContact CD1-CB 4.07Å; I40-A64 HydrophobicContact CG2-CB 4.32Å; I40-F66 HydrophobicContact CB-CZ 4.12Å; I40-F66 HydrophobicContact CG2-CE2 3.61Å; I40-F66 HydrophobicContact CG2-CZ 3.53Å; I40-L82 HydrophobicContact CG2-CD1 3.86Å; I40-L84 HydrophobicContact CB-CD2 4.19Å; I40-L84 HydrophobicContact CG1-CD2 4.12Å; I40-L84 HydrophobicContact CG2-CD2 3.71Å
41Q94.4Very high92.8Very high74 Ų7452.9 Ų52.935%0.34628%0.283SS..EExtended strand (participates in β ladder)trans-125.7134.2-176.4179.9-176.9-1200111I39 G43 E45 K46 S83I39-Q41 HydrophobicContact CG2-CB 4.41Å; Q41-G43 PolarHBondContact NE2-O 2.78Å; Q41-E45 CarbonylContact C-O 3.6Å; Q41-E45 VanDerWaalsContact CA-O 3.28Å; Q41-E45 WeakPolarHBondContact CA-O 3.49Å; Q41-E45 WeakPolarHBondContact CG-O 3.44Å; Q41-K46 HydrophobicContact CB-CG 4.49Å; Q41-K46 HydrophobicContact CG-CB 4.49Å; Q41-S83 PolarHBondContact N-O 3.05Å; Q41-S83 PolarHBondContact O-N 3.06Å
42L91Very high93.5Very high10 Ų1047.2 Ų47.25%0.05226%0.255CS..EExtended strand (participates in β ladder)trans-130113169.5-173.363.4000109V15 K44 E45 F66 L68 V79 L82 L105V15-L42 HydrophobicContact CG1-CD2 3.57Å; L42-K44 PolarHBondContact O-N 2.9Å; L42-E45 PolarHBondContact N-O 3.05Å; L42-E45 PolarHBondContact O-N 3.06Å; L42-F66 HydrophobicContact CB-CB 4.35Å; L42-F66 HydrophobicContact CB-CD1 3.84Å; L42-F66 HydrophobicContact CB-CD2 4.36Å; L42-F66 HydrophobicContact CB-CE1 4.17Å; L42-F66 HydrophobicContact CB-CG 3.93Å; L42-F66 HydrophobicContact CD2-CB 3.62Å; L42-F66 HydrophobicContact CD2-CD2 4.43Å; L42-F66 HydrophobicContact CD2-CG 4.02Å; L42-L68 HydrophobicContact CD2-CD2 3.84Å; L42-V79 VanDerWaalsContact CD1-O 3.25Å; L42-V79 WeakPolarHBondContact CD1-O 3.28Å; L42-L82 HydrophobicContact CB-CD1 4.45Å; L42-L82 HydrophobicContact CD1-CB 4.3Å; L42-L105 HydrophobicContact CD1-CD1 3.66Å; L42-L105 HydrophobicContact CD2-CD1 3.95Å; L42-L105 HydrophobicContact CG-CD1 4.5Å
43G86.2Confident94Very high27 Ų2749.9 Ų49.928%0.27825%0.254SS..THydrogen-bonded Turntrans52.7-109.5-172.400000112.6Q41Q41-G43 PolarHBondContact NE2-O 2.78Å
44K84.3Confident94.1Very high214 Ų21455.2 Ų55.293%0.9327%0.274SS*.THydrogen-bonded Turntrans-89.6-21179.9-63.5173.3-175.3168.40113.7L42L42-K44 PolarHBondContact O-N 2.9Å
45E90.4Very high94.1Very high93 Ų9357.1 Ų57.144%0.43529%0.285SS..EExtended strand (participates in β ladder)trans-85.4139-175.8-62.2-165.6148.800110.7Q41 L42 F66Q41-E45 CarbonylContact C-O 3.6Å; Q41-E45 VanDerWaalsContact CA-O 3.28Å; Q41-E45 WeakPolarHBondContact CA-O 3.49Å; Q41-E45 WeakPolarHBondContact CG-O 3.44Å; L42-E45 PolarHBondContact N-O 3.05Å; L42-E45 PolarHBondContact O-N 3.06Å; E45-F66 HydrophobicContact CB-CD1 3.68Å; E45-F66 HydrophobicContact CB-CE1 3.99Å; E45-F66 WeakPolarHBondContact OE2-CD1 3.09Å
46K94.4Very high93.9Very high130 Ų13057.8 Ų57.857%0.56529%0.294SS*.EExtended strand (participates in β ladder)trans-143.7116.1-176.1-178.7-175.4165.1-174.30111.3I39 I40 Q41I39-K46 HydrophobicContact CG2-CD 4.06Å; I39-K46 HydrophobicContact CG2-CG 3.92Å; I40-K46 CarbonylContact O-C 3.58Å; I40-K46 WeakPolarHBondContact O-CA 3.43Å; Q41-K46 HydrophobicContact CB-CG 4.49Å; Q41-K46 HydrophobicContact CG-CB 4.49Å
47Y96Very high93.8Very high94 Ų9461.5 Ų61.537%0.36931%0.313SS..EExtended strand (participates in β ladder)trans-95.9164.7165.6-170.1-97.5000110.5I40 A64I40-Y47 HydrophobicContact CD1-CD1 4.04Å; I40-Y47 PolarHBondContact N-O 2.73Å; I40-Y47 PolarHBondContact O-N 2.68Å; Y47-A64 HydrophobicContact CD1-CB 4.02Å; Y47-A64 HydrophobicContact CD2-CB 4.3Å; Y47-A64 HydrophobicContact CG-CB 3.74Å
48S96.5Very high93.7Very high51 Ų5159.7 Ų59.736%0.35731%0.306SS..EExtended strand (participates in β ladder)trans-147.4129.8171.4-63.50000109T38T38-S48 WeakPolarHBondContact O-CA 3.38Å
49T97.1Very high93.7Very high11 Ų1163.3 Ų63.37%0.06733%0.328CS..  trans-68.9168.8-178.666.40000111.9V19 T38 I40 W60 E62V19-T49 HydrophobicContact CB-CG2 4.46Å; V19-T49 HydrophobicContact CG1-CG2 4.47Å; T38-T49 PolarHBondContact N-OG1 3.35Å; T38-T49 PolarHBondContact O-N 3.3Å; I40-T49 HydrophobicContact CD1-CG2 4.43Å; T49-W60 HydrophobicContact CG2-CB 4.38Å; T49-W60 HydrophobicContact CG2-CG 4.28Å; T49-W60 PolarHBondContact OG1-NE1 2.86Å; T49-E62 WeakPolarHBondContact CA-OE2 3.3Å; T49-E62 HydrophobicContact CG2-CB 4.09Å
50S96.6Very high93.7Very high66 Ų6663.4 Ų63.446%0.46233%0.327SS..  trans-55.7163160.774.30000112.1Y37 W60 E62Y37-S50 WeakPolarHBondContact CB-O 3.42Å; S50-W60 PolarHBondContact O-NE1 2.93Å; S50-E62 WeakPolarHBondContact CB-OE1 3.3Å; S50-E62 VanDerWaalsContact N-CD 3.31Å; S50-E62 PolarHBondContact N-OE1 3.15Å; S50-E62 PolarHBondContact N-OE2 2.64Å; S50-E62 PolarHBondContact OG-OE1 3.15Å
51V96.6Very high93.6Very high38 Ų3869.7 Ų69.723%0.2335%0.351CS..  trans-95.9114.8178.1-1700000109D35 A36 Y37 E53 R89D35-V51 HydrophobicContact CB-CG1 4.03Å; A36-V51 CarbonylContact O-C 3.47Å; A36-V51 WeakPolarHBondContact O-CA 3.39Å; Y37-V51 HydrophobicContact CD1-CG2 4.23Å; Y37-V51 HydrophobicContact CG-CG2 4.42Å; V51-E53 PolarHBondContact O-N 3.41Å; V51-R89 HydrophobicContact CG1-CB 4.11Å
52A95.7Very high93.7Very high19 Ų1967.9 Ų67.916%0.15734%0.343CS..EExtended strand (participates in β ladder)trans-83.4107.3171.500000108.7D35 A36 T55 P58D35-A52 CarbonylContact C-O 3.45Å; D35-A52 WeakPolarHBondContact CA-O 3.21Å; A36-A52 PolarHBondContact N-O 2.72Å; A36-A52 PolarHBondContact O-N 2.95Å; A52-T55 HydrophobicContact CB-CG2 4.12Å; A52-P58 HydrophobicContact CB-CB 3.46Å; A52-P58 VanDerWaalsContact CB-CB 3.46Å
53E94.1Very high93.8Very high106 Ų10671.6 Ų71.650%0.49536%0.36SS..EExtended strand (participates in β ladder)trans-80.4150.3-172-57.1-16215100113.3D35 V51 T55 R89D35-E53 WeakPolarHBondContact OD1-CA 3.28Å; V51-E53 PolarHBondContact O-N 3.41Å; E53-T55 VanDerWaalsContact C-N 3.31Å; E53-T55 PolarHBondContact O-N 2.79Å; E53-R89 IonicContact OE1-CZ 2.92Å; E53-R89 IonicContact OE1-NH2 3.75Å; E53-R89 PolarHBondContact OE1-NH2 3.13Å
54K91.8Very high94.2Very high152 Ų15270.6 Ų70.666%0.66135%0.348SS*.EExtended strand (participates in β ladder)trans51.437.1169-57.5172.5-172.1166.40115.9T33 N34 D35T33-K54 HydrophobicContact CG2-CB 4.43Å; T33-K54 WeakPolarHBondContact CG2-O 3.26Å; N34-K54 PolarHBondContact O-N 3.41Å; N34-K54 VanDerWaalsContact O-N 3.1Å; D35-K54 PolarHBondContact OD1-N 3.27Å
55T92.3Very high94.6Very high39 Ų3963.2 Ų63.224%0.23932%0.324CS..EExtended strand (participates in β ladder)trans-132.2155.8-178.6-177.60000113.2N34 A52 E53 D57 P58N34-T55 WeakPolarHBondContact CA-O 3.32Å; N34-T55 WeakPolarHBondContact CB-O 3.28Å; N34-T55 PolarHBondContact N-O 2.92Å; N34-T55 PolarHBondContact O-N 2.89Å; A52-T55 HydrophobicContact CB-CG2 4.12Å; E53-T55 VanDerWaalsContact C-N 3.31Å; E53-T55 PolarHBondContact O-N 2.79Å; T55-D57 PolarHBondContact OG1-N 3.37Å; T55-D57 PolarHBondContact OG1-O 3.35Å; T55-P58 HydrophobicContact CG2-CB 3.8Å
56A90.3Very high94.6Very high34 Ų3459.1 Ų59.128%0.28131%0.305SS..SBendtrans-98.8-13.9166.800000112.5L25 P58L25-A56 VanDerWaalsContact CB-O 3.27Å; L25-A56 WeakPolarHBondContact CB-O 3.12Å; L25-A56 WeakPolarHBondContact CG-O 3.27Å; L25-A56 PolarHBondContact N-O 3.13Å; L25-A56 VanDerWaalsContact N-O 3.08Å; A56-P58 WeakPolarHBondContact O-CD 3.44Å
57D94Very high94.2Very high77 Ų7758.4 Ų58.441%0.41230%0.303SS..SBendtrans-128.372.6-176.2-57.4-90000108.6A22 S23 G24 T55A22-D57 CarbonylContact O-C 3.49Å; A22-D57 VanDerWaalsContact O-CA 3.22Å; A22-D57 WeakPolarHBondContact O-CA 3.3Å; S23-D57 WeakPolarHBondContact CA-OD1 3.32Å; S23-D57 WeakPolarHBondContact CB-OD1 3.47Å; S23-D57 PolarHBondContact OG-OD1 3.48Å; G24-D57 PolarHBondContact N-OD1 3.37Å; T55-D57 PolarHBondContact OG1-N 3.37Å; T55-D57 PolarHBondContact OG1-O 3.35Å
58P95.5Very high93.5Very high0 Ų054.2 Ų54.20%029%0.288CS..  trans-73.4143-175.530.6-37.5000112.5Q21 A22 L25 A36 A52 T55 A56 W60Q21-P58 CarbonylContact C-O 3.48Å; Q21-P58 WeakPolarHBondContact CA-O 3.4Å; Q21-P58 VanDerWaalsContact CB-O 3.25Å; Q21-P58 WeakPolarHBondContact CB-O 3.46Å; A22-P58 HydrophobicContact CB-CG 4.01Å; A22-P58 PolarHBondContact N-O 2.95Å; A22-P58 WeakPolarHBondContact O-CD 3.48Å; L25-P58 HydrophobicContact CD1-CG 3.54Å; A36-P58 HydrophobicContact CB-CB 4.16Å; A36-P58 HydrophobicContact CB-CG 3.98Å; A52-P58 HydrophobicContact CB-CB 3.46Å; A52-P58 VanDerWaalsContact CB-CB 3.46Å; T55-P58 HydrophobicContact CG2-CB 3.8Å; A56-P58 WeakPolarHBondContact O-CD 3.44Å; P58-W60 HydrophobicContact CB-CD2 4.44Å; P58-W60 HydrophobicContact CB-CH2 3.89Å; P58-W60 HydrophobicContact CB-CZ2 3.65Å; P58-W60 HydrophobicContact CB-CZ3 4.35Å; P58-W60 HydrophobicContact CG-CH2 3.32Å; P58-W60 HydrophobicContact CG-CZ2 3.56Å; P58-W60 HydrophobicContact CG-CZ3 3.87Å
59V97.1Very high92Very high75 Ų7555.4 Ų55.446%0.45529%0.294SS..EExtended strand (participates in β ladder)trans-123.1119.9178.5-1780000108.7Q21 R61Q21-V59 HydrophobicContact CB-CB 4.32Å; Q21-V59 HydrophobicContact CB-CG1 4.43Å; Q21-V59 HydrophobicContact CB-CG2 3.95Å; V59-R61 HydrophobicContact CG1-CG 3.95Å; V59-R61 VanDerWaalsContact CG1-NE 3.33Å
60W96.3Very high90.1Very high21 Ų2157.9 Ų57.98%0.0832%0.321CS..EExtended strand (participates in β ladder)trans-111.7-54.2-176.7-60-77.6000111.5V19 L20 A22 A36 T38 T49 S50 P58 E62 V86V19-W60 HydrophobicContact CG1-CD2 4.29Å; V19-W60 HydrophobicContact CG1-CE3 3.5Å; V19-W60 VanDerWaalsContact CG1-CE3 3.5Å; V19-W60 HydrophobicContact CG1-CZ3 3.89Å; L20-W60 PolarHBondContact O-N 2.9Å; A22-W60 HydrophobicContact CB-CH2 4.01Å; A22-W60 HydrophobicContact CB-CZ3 3.8Å; A36-W60 HydrophobicContact CB-CZ2 4.17Å; A36-W60 PolarHBondContact O-NE1 3.42Å; T38-W60 WeakPolarHBondContact OG1-CH2 3.35Å; T38-W60 WeakPolarHBondContact OG1-CZ3 3.29Å; T49-W60 HydrophobicContact CG2-CB 4.38Å; T49-W60 HydrophobicContact CG2-CG 4.28Å; T49-W60 PolarHBondContact OG1-NE1 2.86Å; S50-W60 PolarHBondContact O-NE1 2.93Å; P58-W60 HydrophobicContact CB-CD2 4.44Å; P58-W60 HydrophobicContact CB-CH2 3.89Å; P58-W60 HydrophobicContact CB-CZ2 3.65Å; P58-W60 HydrophobicContact CB-CZ3 4.35Å; P58-W60 HydrophobicContact CG-CH2 3.32Å; P58-W60 HydrophobicContact CG-CZ2 3.56Å; P58-W60 HydrophobicContact CG-CZ3 3.87Å; W60-E62 HydrophobicContact CB-CB 4.32Å; W60-E62 HydrophobicContact CB-CG 4.23Å; W60-E62 PolarHBondContact O-N 3.37Å; W60-V86 HydrophobicContact CH2-CG1 4.12Å
61R95.6Very high87.9Confident133 Ų13359.1 Ų59.150%0.50232%0.322SS..EExtended strand (participates in β ladder)trans56.738.4-174.5-52.4175.8-175-80.4-11.1112.1V19 L20 V59V19-R61 WeakPolarHBondContact O-CA 3.4Å; V19-R61 PolarHBondContact O-N 3.33Å; L20-R61 HydrophobicContact CD2-CB 4.46Å; L20-R61 HydrophobicContact CD2-CG 4.27Å; L20-R61 PolarHBondContact O-N 2.98Å; V59-R61 HydrophobicContact CG1-CG 3.95Å; V59-R61 VanDerWaalsContact CG1-NE 3.33Å
62E95.6Very high85.8Confident36 Ų3659 Ų5917%0.16832%0.32CS..EExtended strand (participates in β ladder)trans-102.6154.4-178-73.7174-114.500110.8T18 V19 T49 S50 W60T18-E62 CarbonylContact C-O 3.45Å; T18-E62 VanDerWaalsContact CA-O 3.27Å; T18-E62 WeakPolarHBondContact CA-O 3.43Å; T18-E62 VanDerWaalsContact CG2-O 3.31Å; T18-E62 WeakPolarHBondContact CG2-O 3.34Å; V19-E62 PolarHBondContact N-O 3.35Å; V19-E62 PolarHBondContact O-N 3.16Å; V19-E62 VanDerWaalsContact O-N 3.15Å; T49-E62 WeakPolarHBondContact CA-OE2 3.3Å; T49-E62 HydrophobicContact CG2-CB 4.09Å; S50-E62 WeakPolarHBondContact CB-OE1 3.3Å; S50-E62 VanDerWaalsContact N-CD 3.31Å; S50-E62 PolarHBondContact N-OE1 3.15Å; S50-E62 PolarHBondContact N-OE2 2.64Å; S50-E62 PolarHBondContact OG-OE1 3.15Å; W60-E62 HydrophobicContact CB-CB 4.32Å; W60-E62 HydrophobicContact CB-CG 4.23Å; W60-E62 PolarHBondContact O-N 3.37Å
63E94.6Very high83.6Confident88 Ų8862.4 Ų62.441%0.41134%0.335SS..EExtended strand (participates in β ladder)trans-130.4134.1-168.2-178.8-172.1129.200110.4Q16 T18Q16-E63 HydrophobicContact CG-CG 3.78Å; Q16-E63 PolarHBondContact NE2-OE1 3.32Å; Q16-E63 VanDerWaalsContact NE2-OE1 3.17Å; Q16-E63 PolarHBondContact NE2-OE2 3.11Å; T18-E63 HydrophobicContact CG2-CB 4.46Å
64A94Very high81.5Confident5 Ų566.7 Ų66.74%0.04136%0.355CS..EExtended strand (participates in β ladder)trans-118.8127.1163.500000108.9A17 I40 Y47 F66A17-A64 PolarHBondContact N-O 3.1Å; A17-A64 PolarHBondContact O-N 3.21Å; I40-A64 HydrophobicContact CB-CB 4.49Å; I40-A64 HydrophobicContact CD1-CB 4.07Å; I40-A64 HydrophobicContact CG2-CB 4.32Å; Y47-A64 HydrophobicContact CD1-CB 4.02Å; Y47-A64 HydrophobicContact CD2-CB 4.3Å; Y47-A64 HydrophobicContact CG-CB 3.74Å; A64-F66 HydrophobicContact CB-CD2 4.34Å; A64-F66 HydrophobicContact CB-CE1 4.45Å; A64-F66 HydrophobicContact CB-CE2 3.48Å; A64-F66 VanDerWaalsContact CB-CE2 3.48Å; A64-F66 HydrophobicContact CB-CZ 3.55Å
65S92.1Very high79.4Confident60 Ų6062.4 Ų62.442%0.4235%0.354SS..EExtended strand (participates in β ladder)trans-101.5132.2167-75.30000108.8V15V15-S65 WeakPolarHBondContact O-CA 3.38Å
66F90Very high77.7Confident6 Ų664.8 Ų64.83%0.02637%0.365CS..EExtended strand (participates in β ladder)trans-120.3145.3-179.9-55.8-89000109.8H14 V15 A17 I40 L42 E45 A64 L82H14-F66 VanDerWaalsContact CA-O 3.31Å; H14-F66 WeakPolarHBondContact CA-O 3.31Å; V15-F66 HydrophobicContact CG1-CB 3.99Å; V15-F66 HydrophobicContact CG1-CD2 4.33Å; V15-F66 PolarHBondContact N-O 3.35Å; V15-F66 PolarHBondContact O-N 2.76Å; A17-F66 HydrophobicContact CB-CE2 4.26Å; I40-F66 HydrophobicContact CB-CZ 4.12Å; I40-F66 HydrophobicContact CG2-CE2 3.61Å; I40-F66 HydrophobicContact CG2-CZ 3.53Å; L42-F66 HydrophobicContact CB-CB 4.35Å; L42-F66 HydrophobicContact CB-CD1 3.84Å; L42-F66 HydrophobicContact CB-CD2 4.36Å; L42-F66 HydrophobicContact CB-CE1 4.17Å; L42-F66 HydrophobicContact CB-CG 3.93Å; L42-F66 HydrophobicContact CD2-CB 3.62Å; L42-F66 HydrophobicContact CD2-CD2 4.43Å; L42-F66 HydrophobicContact CD2-CG 4.02Å; E45-F66 HydrophobicContact CB-CD1 3.68Å; E45-F66 HydrophobicContact CB-CE1 3.99Å; E45-F66 WeakPolarHBondContact OE2-CD1 3.09Å; A64-F66 HydrophobicContact CB-CD2 4.34Å; A64-F66 HydrophobicContact CB-CE1 4.45Å; A64-F66 HydrophobicContact CB-CE2 3.48Å; A64-F66 VanDerWaalsContact CB-CE2 3.48Å; A64-F66 HydrophobicContact CB-CZ 3.55Å; F66-L82 HydrophobicContact CE2-CD1 4.26Å
67E86.1Confident76.4Confident115 Ų11567.8 Ų67.854%0.53738%0.382SS..EExtended strand (participates in β ladder)trans-81.1135.1172-172.3165.3-150.100110.3H14H14-E67 IonicContact CE1-OE1 2.68Å
68L81.2Confident74.9Confident7 Ų771.1 Ų71.14%0.03740%0.395CS..  trans-97.5112.7172-62.3178.1000107.9P12 T13 V15 L42 G70 Y80 L105 F142P12-L68 HydrophobicContact CB-CD1 4.01Å; P12-L68 HydrophobicContact CG-CD1 3.92Å; T13-L68 PolarHBondContact O-N 3.49Å; V15-L68 HydrophobicContact CB-CD1 4.28Å; V15-L68 HydrophobicContact CB-CD2 4.4Å; V15-L68 HydrophobicContact CB-CG 4.39Å; V15-L68 HydrophobicContact CG1-CD2 3.81Å; V15-L68 HydrophobicContact CG1-CG 4.21Å; L42-L68 HydrophobicContact CD2-CD2 3.84Å; L68-G70 PolarHBondContact O-N 3.37Å; L68-Y80 HydrophobicContact CD2-CD1 4.22Å; L68-Y80 HydrophobicContact CD2-CE1 4.31Å; L68-L105 HydrophobicContact CD2-CD1 4.26Å; L68-F142 HydrophobicContact CD1-CD1 4.42Å
69P65.3Low73.6Confident76 Ų7673.4 Ų73.449%0.49441%0.409SS..  trans-59127.9174.224.4-31.7000108.9V79 Y80P69-V79 HydrophobicContact CG-CG1 3.63Å; P69-Y80 PolarHBondContact O-OH 3.43Å
70G57.2Low72.8Confident62 Ų6270.7 Ų70.764%0.63939%0.391SS*.SBendtrans-60152.6-162.400000115.3L68L68-G70 PolarHBondContact O-N 3.37Å
71L51.3Low72.4Confident92 Ų9271.8 Ų71.848%0.48240%0.4SS..  trans69.8115.9-173-64.5166.9000114.8L73 Y80 F152L71-L73 PolarHBondContact O-N 3.04Å; L71-Y80 PolarHBondContact O-OH 3.22Å; L71-F152 HydrophobicContact CD1-CE1 4.46Å
72L51.4Low72.3Confident35 Ų3565.5 Ų65.518%0.18338%0.376CS..SBendtrans-70.228171-71.1169.6000113.3F11 Y80 N106 F109F11-L72 HydrophobicContact CD1-CB 4.49Å; F11-L72 HydrophobicContact CD1-CD1 4.01Å; F11-L72 HydrophobicContact CD1-CG 4.35Å; F11-L72 HydrophobicContact CE1-CB 4.41Å; F11-L72 HydrophobicContact CE1-CD1 4.36Å; L72-Y80 HydrophobicContact CD2-CD1 3.85Å; L72-Y80 HydrophobicContact CD2-CE1 3.54Å; L72-Y80 HydrophobicContact CD2-CE2 4.43Å; L72-Y80 HydrophobicContact CD2-CG 4.41Å; L72-N106 WeakPolarHBondContact CD2-OD1 3.3Å; L72-F109 HydrophobicContact CD1-CD1 3.45Å; L72-F109 VanDerWaalsContact CD1-CD1 3.45Å; L72-F109 HydrophobicContact CD1-CE1 3.76Å; L72-F109 HydrophobicContact CD1-CG 4.38Å
73L51Low72.2Confident91 Ų9164.4 Ų64.448%0.47637%0.373SS..SBendtrans-119.5129.9-178-10365.7000110.6L71 G75L71-L73 PolarHBondContact O-N 3.04Å; L73-G75 VanDerWaalsContact C-N 3.26Å; L73-G75 PolarHBondContact O-N 2.85Å
74E49.2Very low72.3Confident197 Ų19760.2 Ų60.292%0.92135%0.353SS*.SBendtrans69.3-18.4143.6-137.1138.3-131.600119.7
75G48.1Very low72.4Confident62 Ų6260.9 Ų60.964%0.63936%0.356SS*.SBendtrans-75.8-54.6-17700000115.6L73L73-G75 VanDerWaalsContact C-N 3.26Å; L73-G75 PolarHBondContact O-N 2.85Å
76N56.4Low72.6Confident88 Ų8858 Ų5847%0.47134%0.336SS..  trans-167.6127.6177.8-132.8-101.1000112.4V79N76-V79 HydrophobicContact CB-CG2 3.95Å
77P62.2Low72.8Confident98 Ų9858.9 Ų58.964%0.63634%0.341SS*.SBendtrans-72.7-32.5178.928.7-33.7000112.9V79 Y80P77-V79 PolarHBondContact O-N 3.15Å; P77-Y80 PolarHBondContact O-N 3.34Å; P77-Y80 VanDerWaalsContact O-N 3.15Å
78E62.1Low73.3Confident146 Ų14653.8 Ų53.868%0.68232%0.317SS*.G310 helixtrans-63.8-25.2-176.4-60.1-165.1156.700113.7Y80 V81E78-Y80 PolarHBondContact O-N 3.22Å; E78-V81 PolarHBondContact O-N 3.49Å
79V68.8Low73.9Confident48 Ų4858.1 Ų58.129%0.29133%0.333SS..G310 helixtrans-66.7-26.9178.9172.90000111.9L42 P69 N76 P77 V81L42-V79 VanDerWaalsContact CD1-O 3.25Å; L42-V79 WeakPolarHBondContact CD1-O 3.28Å; P69-V79 HydrophobicContact CG-CG1 3.63Å; N76-V79 HydrophobicContact CB-CG2 3.95Å; P77-V79 PolarHBondContact O-N 3.15Å; V79-V81 VanDerWaalsContact C-N 3.35Å
80Y79.4Confident75.2Confident18 Ų1855.3 Ų55.37%0.07132%0.315CS..G310 helixtrans-94.413.3-179.8-62-71.8000113.6L68 P69 L71 L72 P77 E78 L105 N106L68-Y80 HydrophobicContact CD2-CD1 4.22Å; L68-Y80 HydrophobicContact CD2-CE1 4.31Å; P69-Y80 PolarHBondContact O-OH 3.43Å; L71-Y80 PolarHBondContact O-OH 3.22Å; L72-Y80 HydrophobicContact CD2-CD1 3.85Å; L72-Y80 HydrophobicContact CD2-CE1 3.54Å; L72-Y80 HydrophobicContact CD2-CE2 4.43Å; L72-Y80 HydrophobicContact CD2-CG 4.41Å; P77-Y80 PolarHBondContact O-N 3.34Å; P77-Y80 VanDerWaalsContact O-N 3.15Å; E78-Y80 PolarHBondContact O-N 3.22Å; Y80-L105 VanDerWaalsContact O-CB 3.28Å; Y80-L105 WeakPolarHBondContact O-CB 3.21Å; Y80-L105 WeakPolarHBondContact O-CG 3.4Å; Y80-L105 PolarHBondContact O-N 3.44Å; Y80-N106 WeakPolarHBondContact CB-OD1 3.21Å; Y80-N106 VanDerWaalsContact CG-OD1 3.28Å
81V89.2Confident76.7Confident45 Ų4559.2 Ų59.227%0.27332%0.32SS..EExtended strand (participates in β ladder)trans-101.5105.9-178179.20000110.6E78 V79 S83 T102E78-V81 PolarHBondContact O-N 3.49Å; V79-V81 VanDerWaalsContact C-N 3.35Å; V81-S83 PolarHBondContact O-N 3.4Å; V81-T102 HydrophobicContact CG1-CG2 3.23Å
82L92.3Very high78.4Confident0 Ų060.8 Ų60.80%033%0.334CS..EExtended strand (participates in β ladder)trans-79.3116.6174.5-178.468.2000109.7A17 I40 L42 F66 L84 I103 L105 I140A17-L82 HydrophobicContact CB-CD1 4.47Å; A17-L82 HydrophobicContact CB-CD2 4.13Å; I40-L82 HydrophobicContact CG2-CD1 3.86Å; L42-L82 HydrophobicContact CB-CD1 4.45Å; L42-L82 HydrophobicContact CD1-CB 4.3Å; F66-L82 HydrophobicContact CE2-CD1 4.26Å; L82-L84 HydrophobicContact CD1-CD2 4.5Å; L82-L84 HydrophobicContact CD2-CD2 4.47Å; L82-L84 HydrophobicContact CG-CD2 4.3Å; L82-L84 HydrophobicContact CG-CG 4.45Å; L82-I103 HydrophobicContact CB-CB 4.38Å; L82-I103 PolarHBondContact N-O 3.46Å; L82-I103 PolarHBondContact O-N 3.4Å; L82-L105 HydrophobicContact CB-CD1 4.46Å; L82-L105 HydrophobicContact CB-CD2 4.04Å; L82-L105 HydrophobicContact CB-CG 4.17Å; L82-L105 HydrophobicContact CD2-CD2 4.28Å; L82-I140 HydrophobicContact CD2-CD1 3.94Å; L82-I140 HydrophobicContact CD2-CG1 4.39Å
83S94.3Very high80.2Confident14 Ų1462.2 Ų62.210%0.09836%0.357CS..EExtended strand (participates in β ladder)trans-108116.8178.5174.90000110.4Q41 V81 Q100Q41-S83 PolarHBondContact N-O 3.05Å; Q41-S83 PolarHBondContact O-N 3.06Å; V81-S83 PolarHBondContact O-N 3.4Å; S83-Q100 PolarHBondContact OG-NE2 3.28Å
84L95.9Very high82.2Confident0 Ų066.1 Ų66.10%038%0.375CS..EExtended strand (participates in β ladder)trans-106.4113.4177.6-58.3174.9000108.5V19 I39 I40 L82 Q100 K101 I103 I136 V138V19-L84 HydrophobicContact CG2-CD2 4.17Å; I39-L84 CarbonylContact O-C 3.58Å; I39-L84 WeakPolarHBondContact O-CA 3.27Å; I40-L84 HydrophobicContact CB-CD2 4.19Å; I40-L84 HydrophobicContact CG1-CD2 4.12Å; I40-L84 HydrophobicContact CG2-CD2 3.71Å; L82-L84 HydrophobicContact CD1-CD2 4.5Å; L82-L84 HydrophobicContact CD2-CD2 4.47Å; L82-L84 HydrophobicContact CG-CD2 4.3Å; L82-L84 HydrophobicContact CG-CG 4.45Å; L84-Q100 CarbonylContact O-C 3.6Å; L84-Q100 VanDerWaalsContact O-CA 3.22Å; L84-Q100 WeakPolarHBondContact O-CA 3.36Å; L84-K101 HydrophobicContact CB-CB 4.5Å; L84-K101 PolarHBondContact N-O 3.48Å; L84-K101 PolarHBondContact O-N 3.36Å; L84-I103 HydrophobicContact CD1-CD1 3.93Å; L84-I136 HydrophobicContact CD1-CG2 4.48Å; L84-V138 HydrophobicContact CD1-CB 4.43Å; L84-V138 HydrophobicContact CD1-CG1 4.18Å; L84-V138 HydrophobicContact CD1-CG2 3.53Å
85T96.3Very high84.4Confident18 Ų1859.4 Ų59.411%0.1135%0.345CS..EExtended strand (participates in β ladder)trans-119.2111.5-178.7-58.80000110.8I39 M87 F97 G99I39-T85 WeakPolarHBondContact CB-O 3.34Å; I39-T85 PolarHBondContact N-O 3.18Å; I39-T85 PolarHBondContact O-N 3.38Å; T85-M87 HydrophobicContact CG2-CG 4.17Å; T85-M87 HydrophobicContact CG2-SD 3.92Å; T85-F97 HydrophobicContact CG2-CD2 4.03Å; T85-F97 HydrophobicContact CG2-CE2 3.88Å; T85-G99 CarbonylContact C-O 3.57Å
86V96.3Very high86.5Confident0 Ų060.7 Ų60.70%033%0.333CS..EExtended strand (participates in β ladder)trans-86.8126.9177.9-165.40000109.4L25 Y37 T38 W60 L98 G99 L122 I136L25-V86 HydrophobicContact CD1-CG1 3.89Å; L25-V86 HydrophobicContact CD2-CG1 4.38Å; Y37-V86 WeakPolarHBondContact O-CA 3.2Å; T38-V86 HydrophobicContact CG2-CG2 4.48Å; W60-V86 HydrophobicContact CH2-CG1 4.12Å; V86-L98 HydrophobicContact CB-CB 4.25Å; V86-L98 HydrophobicContact CG1-CB 4.14Å; V86-L98 HydrophobicContact CG1-CD1 4.12Å; V86-L98 WeakPolarHBondContact O-CA 3.48Å; V86-L98 WeakPolarHBondContact O-CB 3.41Å; V86-L98 PolarHBondContact O-N 3.28Å; V86-G99 PolarHBondContact N-O 2.96Å; V86-G99 PolarHBondContact O-N 2.82Å; V86-G99 VanDerWaalsContact O-N 3.1Å; V86-L122 HydrophobicContact CB-CD1 4.34Å; V86-L122 HydrophobicContact CG2-CD1 3.81Å; V86-L122 HydrophobicContact CG2-CD2 3.89Å; V86-I136 HydrophobicContact CG2-CD1 3.99Å
87M95.5Very high88.3Confident25 Ų2558 Ų5812%0.12332%0.317CS..EExtended strand (participates in β ladder)trans-126.7148.3-175.1-65.5-64-61.500110.2A36 Y37 I39 T85 D95 F97A36-M87 WeakPolarHBondContact CA-O 3.45Å; Y37-M87 HydrophobicContact CD1-CB 4.13Å; Y37-M87 HydrophobicContact CD2-CB 4.47Å; Y37-M87 HydrophobicContact CE1-CB 3.61Å; Y37-M87 HydrophobicContact CE2-CB 3.99Å; Y37-M87 HydrophobicContact CE2-CG 4.33Å; Y37-M87 PolarHBondContact N-O 3.27Å; Y37-M87 PolarHBondContact O-N 3.38Å; I39-M87 HydrophobicContact CD1-CG 4.07Å; T85-M87 HydrophobicContact CG2-CG 4.17Å; T85-M87 HydrophobicContact CG2-SD 3.92Å; M87-D95 HydrophobicContact CE-CB 3.61Å; M87-D95 WeakPolarHBondContact CE-O 3.28Å; M87-F97 HydrophobicContact SD-CB 4.19Å; M87-F97 HydrophobicContact SD-CD2 4.09Å
88H95.5Very high89.7Confident8 Ų853.3 Ų53.34%0.03729%0.287CS..EExtended strand (participates in β ladder)trans-98.9121.1165.7168.131.3000109.1G29 D35 S90 D95 K96 L98G29-H88 WeakPolarHBondContact CA-NE2 3.27Å; G29-H88 PolarHBondContact N-NE2 3.43Å; D35-H88 PolarHBondContact N-CE1 3.44Å; D35-H88 PolarHBondContact N-ND1 3.1Å; D35-H88 CarbonylContact O-C 3.55Å; D35-H88 VanDerWaalsContact O-CA 3.25Å; D35-H88 WeakPolarHBondContact O-CA 3.33Å; D35-H88 PolarHBondContact O-ND1 2.88Å; D35-H88 IonicContact OD2-CE1 2.64Å; D35-H88 PolarHBondContact OD2-CE1 2.86Å; H88-S90 PolarHBondContact O-N 3.5Å; H88-D95 CarbonylContact O-C 3.58Å; H88-D95 WeakPolarHBondContact O-CA 3.42Å; H88-D95 WeakPolarHBondContact O-CB 3.29Å; H88-K96 HydrophobicContact CB-CB 4.35Å; H88-K96 PolarHBondContact N-O 2.87Å; H88-K96 PolarHBondContact O-N 2.74Å; H88-L98 HydrophobicContact CB-CD1 3.95Å; H88-L98 HydrophobicContact CB-CD2 3.94Å; H88-L98 HydrophobicContact CB-CG 3.88Å
89R95.1Very high91.3Very high98 Ų9846.4 Ų46.437%0.3725%0.254SS..  trans-64.4113.4172.5-178.9167.868.9-177.51.7110.4D35 Y37 V51 E53 D95D35-R89 HydrophobicContact CB-CB 4.49Å; D35-R89 PolarHBondContact O-N 3.42Å; Y37-R89 HydrophobicContact CD1-CB 4.25Å; Y37-R89 HydrophobicContact CE1-CB 4.18Å; V51-R89 HydrophobicContact CG1-CB 4.11Å; E53-R89 IonicContact OE1-CZ 2.92Å; E53-R89 IonicContact OE1-NH2 3.75Å; E53-R89 PolarHBondContact OE1-NH2 3.13Å; R89-D95 VanDerWaalsContact CA-OD1 3.29Å; R89-D95 WeakPolarHBondContact CA-OD1 3.5Å
90S92.6Very high92.5Very high17 Ų1746 Ų4612%0.11925%0.249CC..  trans-80.6128.3176.4-76.10000110.7H88 V92 M94 D95H88-S90 PolarHBondContact O-N 3.5Å; S90-V92 PolarHBondContact O-N 3.06Å; S90-M94 VanDerWaalsContact CB-O 3.29Å; S90-M94 WeakPolarHBondContact CB-O 3.45Å; S90-M94 PolarHBondContact OG-O 2.86Å; S90-D95 PolarHBondContact N-OD1 3.13Å
91L87.2Confident93.2Very high143 Ų14347.2 Ų47.275%0.74926%0.255SS*.SBendtrans-63.6-24.7172-68175.5000113.3
92V88.2Confident93.4Very high126 Ų12648.7 Ų48.776%0.76426%0.264SS*.SBendtrans-144.7131.5176.6-177.60000108.4S90S90-V92 PolarHBondContact O-N 3.06Å
93G89.3Confident93.4Very high64 Ų6449 Ų4966%0.6627%0.266SS*.SBendtrans80.9-162.5-178.400000113.5
94M92.6Very high93.1Very high174 Ų17450.9 Ų50.986%0.85728%0.275SS*.SBendtrans-79148.9-174.2-59178.87800113S90S90-M94 VanDerWaalsContact CB-O 3.29Å; S90-M94 WeakPolarHBondContact CB-O 3.45Å; S90-M94 PolarHBondContact OG-O 2.86Å
95D94.5Very high92.7Very high55 Ų5551 Ų5129%0.29428%0.275SS..PPolyproline II helixtrans-63.4141.9176.1-74-5.1000113.1Y37 M87 H88 R89 S90Y37-D95 VanDerWaalsContact CE1-OD2 3.24Å; Y37-D95 WeakPolarHBondContact CE1-OD2 3.49Å; Y37-D95 VanDerWaalsContact CZ-OD2 3.31Å; Y37-D95 PolarHBondContact OH-OD2 3Å; M87-D95 HydrophobicContact CE-CB 3.61Å; M87-D95 WeakPolarHBondContact CE-O 3.28Å; H88-D95 CarbonylContact O-C 3.58Å; H88-D95 WeakPolarHBondContact O-CA 3.42Å; H88-D95 WeakPolarHBondContact O-CB 3.29Å; R89-D95 VanDerWaalsContact CA-OD1 3.29Å; R89-D95 WeakPolarHBondContact CA-OD1 3.5Å; S90-D95 PolarHBondContact N-OD1 3.13Å
96K92.6Very high92Very high90 Ų9052.2 Ų52.239%0.39128%0.281SS..EExtended strand (participates in β ladder)trans-96.6126.5-174-57.6178-161.8173.30110.4K28 H88 L98K28-K96 HydrophobicContact CB-CB 4.31Å; K28-K96 HydrophobicContact CB-CD 4.02Å; K28-K96 WeakPolarHBondContact O-CD 3.03Å; K28-K96 PolarHBondContact O-NZ 3.37Å; H88-K96 HydrophobicContact CB-CB 4.35Å; H88-K96 PolarHBondContact N-O 2.87Å; H88-K96 PolarHBondContact O-N 2.74Å; K96-L98 PolarHBondContact O-N 2.86Å
97F94Very high91.3Very high31 Ų3157.9 Ų57.914%0.13631%0.308CS..EExtended strand (participates in β ladder)trans-65.1115.4178177.4-91.8000111.8T85 M87 Q100 K125 R133T85-F97 HydrophobicContact CG2-CD2 4.03Å; T85-F97 HydrophobicContact CG2-CE2 3.88Å; M87-F97 HydrophobicContact SD-CB 4.19Å; M87-F97 HydrophobicContact SD-CD2 4.09Å; F97-Q100 HydrophobicContact CE2-CB 3.8Å; F97-Q100 HydrophobicContact CZ-CB 3.68Å; F97-K125 HydrophobicContact CD1-CG 4.16Å; F97-K125 HydrophobicContact CD2-CD 4.27Å; F97-K125 VanDerWaalsContact CD2-CE 3.4Å; F97-K125 HydrophobicContact CD2-CG 3.89Å; F97-K125 HydrophobicContact CE1-CG 3.89Å; F97-K125 HydrophobicContact CE2-CD 4.35Å; F97-K125 HydrophobicContact CE2-CG 3.54Å; F97-K125 HydrophobicContact CG-CG 4.17Å; F97-K125 HydrophobicContact CZ-CB 4.44Å; F97-K125 HydrophobicContact CZ-CG 3.55Å; F97-R133 PolarHBondContact O-NH1 3.03Å
98L93.3Very high90.7Very high0 Ų058 Ų580%031%0.308CS..EExtended strand (participates in β ladder)trans-87.1-47.1175.2-64-177.2000111.3L25 Q26 K28 N34 A36 V86 H88 K96 R133L25-L98 HydrophobicContact CD1-CD1 3.97Å; Q26-L98 WeakPolarHBondContact O-CD2 3.46Å; K28-L98 HydrophobicContact CB-CD2 3.98Å; K28-L98 HydrophobicContact CG-CD2 3.64Å; N34-L98 HydrophobicContact CB-CD1 4Å; A36-L98 HydrophobicContact CB-CD1 4.01Å; V86-L98 HydrophobicContact CB-CB 4.25Å; V86-L98 HydrophobicContact CG1-CB 4.14Å; V86-L98 HydrophobicContact CG1-CD1 4.12Å; V86-L98 WeakPolarHBondContact O-CA 3.48Å; V86-L98 WeakPolarHBondContact O-CB 3.41Å; V86-L98 PolarHBondContact O-N 3.28Å; H88-L98 HydrophobicContact CB-CD1 3.95Å; H88-L98 HydrophobicContact CB-CD2 3.94Å; H88-L98 HydrophobicContact CB-CG 3.88Å; K96-L98 PolarHBondContact O-N 2.86Å; L98-R133 WeakPolarHBondContact O-CD 3.37Å; L98-R133 PolarHBondContact O-NH1 3.23Å
99G93.8Very high89.8Confident0 Ų058.3 Ų58.30%031%0.31CS..EExtended strand (participates in β ladder)trans-178.9168.617700000113T85 V86T85-G99 CarbonylContact C-O 3.57Å; V86-G99 PolarHBondContact N-O 2.96Å; V86-G99 PolarHBondContact O-N 2.82Å; V86-G99 VanDerWaalsContact O-N 3.1Å
100Q94.8Very high88.8Confident40 Ų4058.1 Ų58.119%0.18732%0.316CS..EExtended strand (participates in β ladder)trans-138143.7176-178173.512.100111.1S83 L84 F97 E123S83-Q100 PolarHBondContact OG-NE2 3.28Å; L84-Q100 CarbonylContact O-C 3.6Å; L84-Q100 VanDerWaalsContact O-CA 3.22Å; L84-Q100 WeakPolarHBondContact O-CA 3.36Å; F97-Q100 HydrophobicContact CE2-CB 3.8Å; F97-Q100 HydrophobicContact CZ-CB 3.68Å; Q100-E123 PolarHBondContact N-O 3.11Å; Q100-E123 WeakPolarHBondContact O-CA 3.5Å; Q100-E123 WeakPolarHBondContact O-CB 3.28Å; Q100-E123 PolarHBondContact O-N 2.81Å
101K94.8Very high88Confident43 Ų4360.5 Ų60.519%0.18733%0.327CS..EExtended strand (participates in β ladder)trans-123136.1162.9-172.872.9-160.11720110.2L84 I103 F120 S121 L122 E123L84-K101 HydrophobicContact CB-CB 4.5Å; L84-K101 PolarHBondContact N-O 3.48Å; L84-K101 PolarHBondContact O-N 3.36Å; K101-I103 HydrophobicContact CG-CD1 4.27Å; K101-I103 HydrophobicContact CG-CG1 3.82Å; K101-F120 HydrophobicContact CD-CB 4.12Å; K101-F120 HydrophobicContact CG-CB 3.9Å; K101-F120 HydrophobicContact CG-CD1 4.44Å; K101-F120 HydrophobicContact CG-CG 4.45Å; K101-S121 WeakPolarHBondContact CD-O 3.48Å; K101-L122 HydrophobicContact CB-CD2 4.34Å; K101-E123 IonicContact NZ-OE1 3.06Å; K101-E123 PolarHBondContact NZ-OE1 3.23Å
102T93.5Very high87.1Confident76 Ų7661.7 Ų61.747%0.46633%0.326SS..EExtended strand (participates in β ladder)trans-107.3131.6170.3-52.80000108.4V81V81-T102 HydrophobicContact CG1-CG2 3.23Å
103I90.9Very high85.8Confident8 Ų864.3 Ų64.34%0.04133%0.33CS..EExtended strand (participates in β ladder)trans-131.1123.2-177.2-55175.6000108.5L82 L84 K101 M108 F120 I140L82-I103 HydrophobicContact CB-CB 4.38Å; L82-I103 PolarHBondContact N-O 3.46Å; L82-I103 PolarHBondContact O-N 3.4Å; L84-I103 HydrophobicContact CD1-CD1 3.93Å; K101-I103 HydrophobicContact CG-CD1 4.27Å; K101-I103 HydrophobicContact CG-CG1 3.82Å; I103-M108 HydrophobicContact CG2-CG 3.63Å; I103-M108 HydrophobicContact CG2-SD 4.22Å; I103-F120 HydrophobicContact CD1-CD1 3.81Å; I103-F120 HydrophobicContact CD1-CD2 4.27Å; I103-F120 HydrophobicContact CD1-CE1 3.7Å; I103-F120 HydrophobicContact CD1-CE2 4.19Å; I103-F120 HydrophobicContact CD1-CG 4.1Å; I103-F120 HydrophobicContact CD1-CZ 3.9Å; I103-F120 HydrophobicContact CG1-CD1 4.22Å; I103-F120 HydrophobicContact CG1-CE1 4.22Å; I103-I140 HydrophobicContact CD1-CD1 4.09Å; I103-I140 HydrophobicContact CG2-CD1 4.16Å
104N88.9Confident84.8Confident52 Ų5266.8 Ų66.828%0.27832%0.32SS..EExtended strand (participates in β ladder)trans-81115.1173.1-176.5-6.9000109.6N106 E107 M108N104-N106 VanDerWaalsContact C-N 3.29Å; N104-N106 PolarHBondContact O-N 3.29Å; N104-N106 WeakPolarHBondContact OD1-CB 3.3Å; N104-N106 PolarHBondContact OD1-N 3.3Å; N104-E107 HydrophobicContact CB-CB 4.28Å; N104-E107 HydrophobicContact CB-CG 4.16Å; N104-E107 WeakPolarHBondContact CB-OE1 3.33Å; N104-E107 PolarHBondContact ND2-OE1 2.84Å; N104-E107 PolarHBondContact O-N 3.01Å; N104-M108 WeakPolarHBondContact O-CG 3.2Å; N104-M108 PolarHBondContact O-N 3.04Å
105L87Confident84Confident2 Ų266.1 Ų66.11%0.0131%0.312CS..Hα-helixtrans-69.2-26-178.1-65.4179.9000112.9V15 L42 L68 Y80 L82 M108 F109 I140 F142V15-L105 HydrophobicContact CB-CD1 4.4Å; V15-L105 HydrophobicContact CG1-CD1 3.87Å; V15-L105 HydrophobicContact CG2-CD1 4.25Å; V15-L105 HydrophobicContact CG2-CD2 4.3Å; L42-L105 HydrophobicContact CD1-CD1 3.66Å; L42-L105 HydrophobicContact CD2-CD1 3.95Å; L42-L105 HydrophobicContact CG-CD1 4.5Å; L68-L105 HydrophobicContact CD2-CD1 4.26Å; Y80-L105 VanDerWaalsContact O-CB 3.28Å; Y80-L105 WeakPolarHBondContact O-CB 3.21Å; Y80-L105 WeakPolarHBondContact O-CG 3.4Å; Y80-L105 PolarHBondContact O-N 3.44Å; L82-L105 HydrophobicContact CB-CD1 4.46Å; L82-L105 HydrophobicContact CB-CD2 4.04Å; L82-L105 HydrophobicContact CB-CG 4.17Å; L82-L105 HydrophobicContact CD2-CD2 4.28Å; L105-M108 PolarHBondContact O-N 2.85Å; L105-F109 VanDerWaalsContact O-CB 3.3Å; L105-F109 WeakPolarHBondContact O-CB 3.33Å; L105-F109 PolarHBondContact O-N 3.19Å; L105-I140 HydrophobicContact CD2-CD1 4.44Å; L105-I140 HydrophobicContact CD2-CG2 4.15Å; L105-F142 HydrophobicContact CB-CE1 4.2Å; L105-F142 HydrophobicContact CB-CZ 4.18Å; L105-F142 HydrophobicContact CD2-CE1 4.47Å; L105-F142 HydrophobicContact CD2-CZ 4.23Å; L105-F142 WeakPolarHBondContact O-CZ 3.34Å
106N81.4Confident83.3Confident44 Ų4470.2 Ų70.224%0.23533%0.327CS..Hα-helixtrans-67-46.3178.7-63.611.9000110.3L72 Y80 N104 M108 F109 D110L72-N106 WeakPolarHBondContact CD2-OD1 3.3Å; Y80-N106 WeakPolarHBondContact CB-OD1 3.21Å; Y80-N106 VanDerWaalsContact CG-OD1 3.28Å; N104-N106 VanDerWaalsContact C-N 3.29Å; N104-N106 PolarHBondContact O-N 3.29Å; N104-N106 WeakPolarHBondContact OD1-CB 3.3Å; N104-N106 PolarHBondContact OD1-N 3.3Å; N106-M108 VanDerWaalsContact C-N 3.29Å; N106-M108 PolarHBondContact O-N 2.89Å; N106-F109 PolarHBondContact O-N 3.35Å; N106-F109 VanDerWaalsContact O-N 3.15Å; N106-D110 PolarHBondContact O-N 3.23Å
107E81.8Confident83.3Confident119 Ų11968.3 Ų68.356%0.55632%0.323SS*.Hα-helixtrans-61.4-34.9173.7-70.6169.5-132.700112.6N104 N111N104-E107 HydrophobicContact CB-CB 4.28Å; N104-E107 HydrophobicContact CB-CG 4.16Å; N104-E107 WeakPolarHBondContact CB-OE1 3.33Å; N104-E107 PolarHBondContact ND2-OE1 2.84Å; N104-E107 PolarHBondContact O-N 3.01Å; E107-N111 WeakPolarHBondContact O-CB 3.43Å; E107-N111 PolarHBondContact O-N 3.41Å
108M81.9Confident83.3Confident28 Ų2869 Ų6914%0.13833%0.328CS..Hα-helixtrans-74.2-30.9175.2-62.7-54.78700112.5I103 N104 L105 N106 R114 F142I103-M108 HydrophobicContact CG2-CG 3.63Å; I103-M108 HydrophobicContact CG2-SD 4.22Å; N104-M108 WeakPolarHBondContact O-CG 3.2Å; N104-M108 PolarHBondContact O-N 3.04Å; L105-M108 PolarHBondContact O-N 2.85Å; N106-M108 VanDerWaalsContact C-N 3.29Å; N106-M108 PolarHBondContact O-N 2.89Å; M108-R114 VanDerWaalsContact CE-CZ 3.48Å; M108-F142 HydrophobicContact CB-CE2 4.21Å; M108-F142 HydrophobicContact CB-CZ 4.23Å
109F77.6Confident83.4Confident15 Ų1573.1 Ų73.17%0.06634%0.344CS..Hα-helixtrans-76.8-44.7-178.2176.6-114.2000112.8W10 P12 L72 L105 N106 N111 F142W10-F109 AromaticContact CE3-CE2 3.75Å; W10-F109 HydrophobicContact CE3-CE2 3.75Å; W10-F109 AromaticContact CE3-CZ 3.97Å; W10-F109 HydrophobicContact CE3-CZ 3.97Å; W10-F109 AromaticContact CZ3-CE2 3.66Å; W10-F109 HydrophobicContact CZ3-CE2 3.66Å; W10-F109 HydrophobicContact CZ3-CZ 4.3Å; W10-F109 VanDerWaalsContact O-CZ 3.27Å; W10-F109 WeakPolarHBondContact O-CZ 3.39Å; P12-F109 HydrophobicContact CG-CD2 4.19Å; P12-F109 HydrophobicContact CG-CE2 4.26Å; P12-F109 HydrophobicContact CG-CG 4.48Å; L72-F109 HydrophobicContact CD1-CD1 3.45Å; L72-F109 VanDerWaalsContact CD1-CD1 3.45Å; L72-F109 HydrophobicContact CD1-CE1 3.76Å; L72-F109 HydrophobicContact CD1-CG 4.38Å; L105-F109 VanDerWaalsContact O-CB 3.3Å; L105-F109 WeakPolarHBondContact O-CB 3.33Å; L105-F109 PolarHBondContact O-N 3.19Å; N106-F109 PolarHBondContact O-N 3.35Å; N106-F109 VanDerWaalsContact O-N 3.15Å; F109-N111 VanDerWaalsContact C-N 3.32Å; F109-F142 HydrophobicContact CB-CD2 4.4Å; F109-F142 HydrophobicContact CB-CE1 4.17Å; F109-F142 HydrophobicContact CB-CE2 3.87Å; F109-F142 HydrophobicContact CB-CZ 3.75Å; F109-F142 HydrophobicContact CD2-CB 4.5Å; F109-F142 HydrophobicContact CD2-CD1 4.39Å; F109-F142 AromaticContact CD2-CD2 3.96Å; F109-F142 HydrophobicContact CD2-CD2 3.96Å; F109-F142 HydrophobicContact CD2-CE2 4.28Å; F109-F142 HydrophobicContact CD2-CG 4.02Å
110D74Confident83.4Confident93 Ų9374.2 Ų74.250%0.49735%0.349SS..Hα-helixtrans-71.3-28.3176.8-78.9-45.3000112.2K9 N106 K112K9-D110 WeakPolarHBondContact CE-OD1 3.32Å; K9-D110 IonicContact NZ-OD1 3.82Å; K9-D110 PolarHBondContact NZ-OD1 3.46Å; K9-D110 IonicContact NZ-OD2 2.76Å; N106-D110 PolarHBondContact O-N 3.23Å; D110-K112 VanDerWaalsContact C-N 3.26Å; D110-K112 PolarHBondContact O-N 3.43Å
111N75.7Confident83.4Confident68 Ų6876.3 Ų76.336%0.36437%0.368SS..  trans-82.464.7178.8-162.9-17.9000113E107 F109 Q113 R114E107-N111 WeakPolarHBondContact O-CB 3.43Å; E107-N111 PolarHBondContact O-N 3.41Å; F109-N111 VanDerWaalsContact C-N 3.32Å; N111-Q113 PolarHBondContact O-N 2.97Å; N111-R114 HydrophobicContact CB-CG 4.4Å; N111-R114 PolarHBondContact ND2-NE 3.34Å; N111-R114 PolarHBondContact O-N 3.11Å; N111-R114 VanDerWaalsContact O-N 3.11Å
112K68.3Low83.4Confident167 Ų16774.5 Ų74.573%0.72636%0.36SS*.THydrogen-bonded Turntrans-56.8-10.6-177.6-65.9-178.4179.7-179.70116.2D110D110-K112 VanDerWaalsContact C-N 3.26Å; D110-K112 PolarHBondContact O-N 3.43Å
113Q61.3Low83.3Confident181 Ų18174.6 Ų74.685%0.84636%0.356SS*.THydrogen-bonded Turntrans-90.5-5.6179.3-64.4-68.33.700113.5N111N111-Q113 PolarHBondContact O-N 2.97Å
114R68.6Low83.1Confident117 Ų11775.1 Ų75.144%0.44236%0.36SS..SBendtrans-70.9155.5174.9-72-165.7179.1-142.34.7112.3M108 N111M108-R114 VanDerWaalsContact CE-CZ 3.48Å; N111-R114 HydrophobicContact CB-CG 4.4Å; N111-R114 PolarHBondContact ND2-NE 3.34Å; N111-R114 PolarHBondContact O-N 3.11Å; N111-R114 VanDerWaalsContact O-N 3.11Å
115K74.7Confident82.8Confident160 Ų16078.1 Ų78.170%0.69637%0.37SS*.  trans-69.6145.2170.2-64.2173.1-176.91720108.6T117K115-T117 VanDerWaalsContact CB-O 3.27Å; K115-T117 WeakPolarHBondContact CB-O 3.3Å; K115-T117 PolarHBondContact O-N 3.4Å
116K80.6Confident82.1Confident140 Ų14083.7 Ų83.761%0.60941%0.407SS*.SBendtrans-61.6-30.2172.4-65.8-174.6176.5-172.60112S139 I140K116-S139 CarbonylContact O-C 3.48Å; K116-S139 WeakPolarHBondContact O-CA 3.21Å; K116-S139 PolarHBondContact O-OG 3.1Å; K116-I140 PolarHBondContact O-N 3.06Å
117T92.8Very high81.6Confident51 Ų5185.5 Ų85.531%0.31344%0.436SS..EExtended strand (participates in β ladder)trans-117.7122.9176.3-48.70000109.7L20 K115 E137 V138 S139L20-T117 HydrophobicContact CD1-CG2 3.51Å; K115-T117 VanDerWaalsContact CB-O 3.27Å; K115-T117 WeakPolarHBondContact CB-O 3.3Å; K115-T117 PolarHBondContact O-N 3.4Å; T117-E137 HydrophobicContact CG2-CG 3.88Å; T117-V138 WeakPolarHBondContact CA-O 3.44Å; T117-S139 PolarHBondContact OG1-OG 3.33Å
118D92.9Very high81.3Confident45 Ų4587.4 Ų87.424%0.24144%0.442CS..EExtended strand (participates in β ladder)trans-137.5162.6178.1-92.4-34.1000111.4F120 V138D118-F120 HydrophobicContact CB-CE2 3.9Å; D118-F120 HydrophobicContact CB-CZ 3.99Å; D118-F120 WeakPolarHBondContact O-CD2 3.43Å; D118-F120 WeakPolarHBondContact O-CE2 3.36Å; D118-V138 PolarHBondContact N-O 3.38Å; D118-V138 VanDerWaalsContact N-O 3.1Å; D118-V138 PolarHBondContact O-N 3.36Å
119W95.3Very high80.9Confident86 Ų8695 Ų9533%0.32648%0.475SS..EExtended strand (participates in β ladder)trans-97.7131.4174-78.386.9000111.2Q21 R135 E137Q21-W119 HydrophobicContact CG-CH2 4Å; Q21-W119 HydrophobicContact CG-CZ2 4.31Å; W119-R135 HydrophobicContact CE3-CB 3.88Å; W119-R135 HydrophobicContact CE3-CG 3.68Å; W119-R135 VanDerWaalsContact CZ2-NH2 3.33Å; W119-R135 HydrophobicContact CZ3-CB 4.3Å; W119-R135 HydrophobicContact CZ3-CG 3.76Å; W119-R135 VanDerWaalsContact CZ3-NE 3.33Å; W119-E137 HydrophobicContact CD2-CB 3.71Å; W119-E137 HydrophobicContact CD2-CG 4.02Å; W119-E137 HydrophobicContact CE3-CB 3.83Å; W119-E137 HydrophobicContact CG-CB 4.39Å; W119-E137 HydrophobicContact CG-CG 4.29Å; W119-E137 HydrophobicContact CH2-CB 3.93Å; W119-E137 HydrophobicContact CZ2-CB 3.75Å; W119-E137 HydrophobicContact CZ2-CG 4.09Å; W119-E137 HydrophobicContact CZ3-CB 3.94Å; W119-E137 VanDerWaalsContact NE1-CD 3.29Å; W119-E137 PolarHBondContact NE1-OE1 3.29Å
120F93.9Very high80.6Confident24 Ų24103 Ų10311%0.10551%0.509CS..EExtended strand (participates in β ladder)trans-120.1120-179-57.5-94.5000110.2K101 I103 D118 L122 R135 I136 V138K101-F120 HydrophobicContact CD-CB 4.12Å; K101-F120 HydrophobicContact CG-CB 3.9Å; K101-F120 HydrophobicContact CG-CD1 4.44Å; K101-F120 HydrophobicContact CG-CG 4.45Å; I103-F120 HydrophobicContact CD1-CD1 3.81Å; I103-F120 HydrophobicContact CD1-CD2 4.27Å; I103-F120 HydrophobicContact CD1-CE1 3.7Å; I103-F120 HydrophobicContact CD1-CE2 4.19Å; I103-F120 HydrophobicContact CD1-CG 4.1Å; I103-F120 HydrophobicContact CD1-CZ 3.9Å; I103-F120 HydrophobicContact CG1-CD1 4.22Å; I103-F120 HydrophobicContact CG1-CE1 4.22Å; D118-F120 HydrophobicContact CB-CE2 3.9Å; D118-F120 HydrophobicContact CB-CZ 3.99Å; D118-F120 WeakPolarHBondContact O-CD2 3.43Å; D118-F120 WeakPolarHBondContact O-CE2 3.36Å; F120-L122 PolarHBondContact O-N 2.69Å; F120-R135 CarbonylContact O-C 3.33Å; F120-R135 WeakPolarHBondContact O-CA 3.41Å; F120-I136 HydrophobicContact CB-CG2 4.11Å; F120-I136 PolarHBondContact N-O 2.91Å; F120-I136 PolarHBondContact O-N 3.49Å; F120-V138 HydrophobicContact CD2-CB 4.12Å; F120-V138 HydrophobicContact CD2-CG2 3.93Å; F120-V138 HydrophobicContact CE2-CB 3.95Å; F120-V138 HydrophobicContact CE2-CG2 4.27Å
121S94.9Very high80.9Confident84 Ų84105.4 Ų105.459%0.58752%0.516SS*.EExtended strand (participates in β ladder)trans-64.5131.3173.3-50.20000110.7K101K101-S121 WeakPolarHBondContact CD-O 3.48Å
122L94.6Very high81.3Confident5 Ų5108.2 Ų108.23%0.02653%0.53CS..  trans-77.5144.2178.9-65.5171000110.6L25 V86 K101 F120 R133 G134 I136L25-L122 HydrophobicContact CD2-CD1 3.44Å; L25-L122 VanDerWaalsContact CD2-CD1 3.44Å; V86-L122 HydrophobicContact CB-CD1 4.34Å; V86-L122 HydrophobicContact CG2-CD1 3.81Å; V86-L122 HydrophobicContact CG2-CD2 3.89Å; K101-L122 HydrophobicContact CB-CD2 4.34Å; F120-L122 PolarHBondContact O-N 2.69Å; L122-R133 HydrophobicContact CB-CB 3.92Å; L122-G134 WeakPolarHBondContact CB-O 3.35Å; L122-G134 PolarHBondContact N-O 3.2Å; L122-I136 HydrophobicContact CD2-CB 4.12Å; L122-I136 HydrophobicContact CD2-CG2 3.72Å; L122-I136 HydrophobicContact CG-CB 4.47Å; L122-I136 HydrophobicContact CG-CG2 4.37Å
123E91.6Very high82.3Confident78 Ų78102.6 Ų102.636%0.36451%0.505SS..BIsolated β-bridgetrans-113.3163.5-177.7-61.8-177.8-123.400111Q100 K101Q100-E123 PolarHBondContact N-O 3.11Å; Q100-E123 WeakPolarHBondContact O-CA 3.5Å; Q100-E123 WeakPolarHBondContact O-CB 3.28Å; Q100-E123 PolarHBondContact O-N 2.81Å; K101-E123 IonicContact NZ-OE1 3.06Å; K101-E123 PolarHBondContact NZ-OE1 3.23Å
124S88Confident83.8Confident19 Ų1994.1 Ų94.113%0.13347%0.466CS..  trans-74.9153.9168.651.30000111K128 K129S124-K128 PolarHBondContact OG-O 2.79Å; S124-K129 PolarHBondContact OG-O 2.85Å
125K81.6Confident85.1Confident114 Ų11494 Ų9450%0.49647%0.466SS..  trans-45.3143.4167.8-68.5-164.9175.5-169.10111.3F97 K128F97-K125 HydrophobicContact CD1-CG 4.16Å; F97-K125 HydrophobicContact CD2-CD 4.27Å; F97-K125 VanDerWaalsContact CD2-CE 3.4Å; F97-K125 HydrophobicContact CD2-CG 3.89Å; F97-K125 HydrophobicContact CE1-CG 3.89Å; F97-K125 HydrophobicContact CE2-CD 4.35Å; F97-K125 HydrophobicContact CE2-CG 3.54Å; F97-K125 HydrophobicContact CG-CG 4.17Å; F97-K125 HydrophobicContact CZ-CB 4.44Å; F97-K125 HydrophobicContact CZ-CG 3.55Å; K125-K128 PolarHBondContact O-N 3.26Å
126P73.1Confident86.2Confident119 Ų11986.4 Ų86.477%0.77343%0.433SS*.THydrogen-bonded Turntrans-53.8144-178.721.2-33.2000111.8
127G69.4Low86.9Confident83 Ų8381.4 Ų81.486%0.85641%0.412SS*.THydrogen-bonded Turntrans77.712.1-176.900000115.8
128K76.3Confident87.1Confident158 Ų15879 Ų7969%0.68740%0.397SS*.SBendtrans-114.2152.7169.7-61.7-58.6178.3-165.20111.7S124 K125 K130S124-K128 PolarHBondContact OG-O 2.79Å; K125-K128 PolarHBondContact O-N 3.26Å; K128-K130 PolarHBondContact O-N 3.41Å
129K72.9Confident87.2Confident189 Ų18977.9 Ų77.982%0.82239%0.392SS*.  trans-54.4127175.3-69.2-169.3177.3-172.10109.4S124 K131S124-K129 PolarHBondContact OG-O 2.85Å; K129-K131 PolarHBondContact O-N 3.05Å
130K72.9Confident87.1Confident181 Ų18174.7 Ų74.779%0.78738%0.381SS*.  trans-52.6129.8172.5-67.4-175.3176-175.60108.9K128K128-K130 PolarHBondContact O-N 3.41Å
131K80.3Confident86.9Confident145 Ų14576.8 Ų76.863%0.6339%0.392SS*.  trans-137.8145.2173-70.9-164.6174-161.60107.1K129 R133K129-K131 PolarHBondContact O-N 3.05Å; K131-R133 VanDerWaalsContact O-CG 3.24Å; K131-R133 WeakPolarHBondContact O-CG 3.29Å; K131-R133 PolarHBondContact O-N 2.9Å
132D83.9Confident86.5Confident126 Ų12674.8 Ų74.867%0.67437%0.372SS*.  trans-61.8138.8166.2-165.4-2.8000109.6G134D132-G134 PolarHBondContact OD1-N 3.15Å
133R88.8Confident86.1Confident49 Ų4977.3 Ų77.319%0.18539%0.385CS..  trans-139.11-165.6-75.2-93.6170177.12.5111F97 L98 L122 K131F97-R133 PolarHBondContact O-NH1 3.03Å; L98-R133 WeakPolarHBondContact O-CD 3.37Å; L98-R133 PolarHBondContact O-NH1 3.23Å; L122-R133 HydrophobicContact CB-CB 3.92Å; K131-R133 VanDerWaalsContact O-CG 3.24Å; K131-R133 WeakPolarHBondContact O-CG 3.29Å; K131-R133 PolarHBondContact O-N 2.9Å
134G93.4Very high85.4Confident4 Ų477.5 Ų77.54%0.04138%0.382CS..  trans90.9-171.8-169.200000112.4S23 G24 L122 D132S23-G134 CarbonylContact O-C 3.6Å; S23-G134 VanDerWaalsContact O-CA 3.28Å; S23-G134 WeakPolarHBondContact O-CA 3.46Å; G24-G134 VanDerWaalsContact O-CA 3.27Å; G24-G134 WeakPolarHBondContact O-CA 3.45Å; L122-G134 WeakPolarHBondContact CB-O 3.35Å; L122-G134 PolarHBondContact N-O 3.2Å; D132-G134 PolarHBondContact OD1-N 3.15Å
135R95.9Very high84.4Confident115 Ų11579.1 Ų79.143%0.43439%0.389SS..EExtended strand (participates in β ladder)trans-138.4148.1-173.548-179.4-110-148.5-1.2110.6A22 S23 W119 F120A22-R135 CarbonylContact C-O 3.58Å; A22-R135 WeakPolarHBondContact CA-O 3.31Å; A22-R135 WeakPolarHBondContact CB-O 3.48Å; S23-R135 PolarHBondContact N-O 2.86Å; S23-R135 PolarHBondContact O-N 3.33Å; W119-R135 HydrophobicContact CE3-CB 3.88Å; W119-R135 HydrophobicContact CE3-CG 3.68Å; W119-R135 VanDerWaalsContact CZ2-NH2 3.33Å; W119-R135 HydrophobicContact CZ3-CB 4.3Å; W119-R135 HydrophobicContact CZ3-CG 3.76Å; W119-R135 VanDerWaalsContact CZ3-NE 3.33Å; F120-R135 CarbonylContact O-C 3.33Å; F120-R135 WeakPolarHBondContact O-CA 3.41Å
136I96.4Very high83.4Confident0 Ų080.3 Ų80.30%040%0.401CS..EExtended strand (participates in β ladder)trans-118.2136.1178.7-168.6170.6000110.4V19 A22 T38 L84 V86 F120 L122 V138V19-I136 HydrophobicContact CG1-CD1 3.93Å; V19-I136 HydrophobicContact CG1-CG1 4.37Å; V19-I136 HydrophobicContact CG2-CD1 4.41Å; A22-I136 HydrophobicContact CB-CB 4.3Å; A22-I136 HydrophobicContact CB-CG1 4.26Å; T38-I136 HydrophobicContact CG2-CD1 3.87Å; L84-I136 HydrophobicContact CD1-CG2 4.48Å; V86-I136 HydrophobicContact CG2-CD1 3.99Å; F120-I136 HydrophobicContact CB-CG2 4.11Å; F120-I136 PolarHBondContact N-O 2.91Å; F120-I136 PolarHBondContact O-N 3.49Å; L122-I136 HydrophobicContact CD2-CB 4.12Å; L122-I136 HydrophobicContact CD2-CG2 3.72Å; L122-I136 HydrophobicContact CG-CB 4.47Å; L122-I136 HydrophobicContact CG-CG2 4.37Å; I136-V138 HydrophobicContact CD1-CG2 4.42Å; I136-V138 HydrophobicContact CG1-CG2 4.01Å; I136-V138 HydrophobicContact CG2-CG2 4.02Å
137E96.8Very high82.5Confident35 Ų3582.3 Ų82.316%0.16440%0.402CS..EExtended strand (participates in β ladder)trans-99.8123.5176.4-165.1177.5-134.400109.7L20 Q21 T117 W119L20-E137 HydrophobicContact CB-CB 4.39Å; L20-E137 HydrophobicContact CB-CG 4.49Å; L20-E137 HydrophobicContact CD1-CG 4.19Å; L20-E137 PolarHBondContact N-O 3.21Å; Q21-E137 HydrophobicContact CG-CB 3.92Å; Q21-E137 WeakPolarHBondContact CG-OE2 3.44Å; Q21-E137 PolarHBondContact NE2-OE2 2.99Å; Q21-E137 PolarHBondContact O-N 3.12Å; T117-E137 HydrophobicContact CG2-CG 3.88Å; W119-E137 HydrophobicContact CD2-CB 3.71Å; W119-E137 HydrophobicContact CD2-CG 4.02Å; W119-E137 HydrophobicContact CE3-CB 3.83Å; W119-E137 HydrophobicContact CG-CB 4.39Å; W119-E137 HydrophobicContact CG-CG 4.29Å; W119-E137 HydrophobicContact CH2-CB 3.93Å; W119-E137 HydrophobicContact CZ2-CB 3.75Å; W119-E137 HydrophobicContact CZ2-CG 4.09Å; W119-E137 HydrophobicContact CZ3-CB 3.94Å; W119-E137 VanDerWaalsContact NE1-CD 3.29Å; W119-E137 PolarHBondContact NE1-OE1 3.29Å
138V96.1Very high81.8Confident1 Ų181.1 Ų81.11%0.00638%0.378CS..EExtended strand (participates in β ladder)trans-136.8131.1-169.7-166.70000108.9T18 L84 T117 D118 F120 I136 I140T18-V138 WeakPolarHBondContact O-CA 3.34Å; L84-V138 HydrophobicContact CD1-CB 4.43Å; L84-V138 HydrophobicContact CD1-CG1 4.18Å; L84-V138 HydrophobicContact CD1-CG2 3.53Å; T117-V138 WeakPolarHBondContact CA-O 3.44Å; D118-V138 PolarHBondContact N-O 3.38Å; D118-V138 VanDerWaalsContact N-O 3.1Å; D118-V138 PolarHBondContact O-N 3.36Å; F120-V138 HydrophobicContact CD2-CB 4.12Å; F120-V138 HydrophobicContact CD2-CG2 3.93Å; F120-V138 HydrophobicContact CE2-CB 3.95Å; F120-V138 HydrophobicContact CE2-CG2 4.27Å; I136-V138 HydrophobicContact CD1-CG2 4.42Å; I136-V138 HydrophobicContact CG1-CG2 4.01Å; I136-V138 HydrophobicContact CG2-CG2 4.02Å; V138-I140 HydrophobicContact CG1-CG1 4.07Å
139S94.8Very high80.3Confident20 Ų2074 Ų7414%0.1435%0.349CS..EExtended strand (participates in β ladder)trans-95.2127.7165-1720000109.4A17 T18 K116 T117A17-S139 WeakPolarHBondContact CA-O 3.35Å; T18-S139 PolarHBondContact N-O 2.91Å; T18-S139 PolarHBondContact O-N 3.34Å; K116-S139 CarbonylContact O-C 3.48Å; K116-S139 WeakPolarHBondContact O-CA 3.21Å; K116-S139 PolarHBondContact O-OG 3.1Å; T117-S139 PolarHBondContact OG1-OG 3.33Å
140I92.4Very high79.2Confident19 Ų1968.1 Ų68.110%0.09733%0.332CS..EExtended strand (participates in β ladder)trans-117.1117174.6-58.3178.6000107.7V15 L82 I103 L105 K116 V138 F142V15-I140 HydrophobicContact CG2-CG2 3.81Å; L82-I140 HydrophobicContact CD2-CD1 3.94Å; L82-I140 HydrophobicContact CD2-CG1 4.39Å; I103-I140 HydrophobicContact CD1-CD1 4.09Å; I103-I140 HydrophobicContact CG2-CD1 4.16Å; L105-I140 HydrophobicContact CD2-CD1 4.44Å; L105-I140 HydrophobicContact CD2-CG2 4.15Å; K116-I140 PolarHBondContact O-N 3.06Å; V138-I140 HydrophobicContact CG1-CG1 4.07Å; I140-F142 HydrophobicContact CG2-CE2 4.27Å; I140-F142 HydrophobicContact CG2-CZ 4.31Å
141Q90.4Very high78Confident69 Ų6967.1 Ų67.132%0.32233%0.332SS..EExtended strand (participates in β ladder)trans-121119.3176.9174.2159.9-61.200110.6Q16 M143Q16-Q141 HydrophobicContact CB-CB 4.25Å; Q16-Q141 WeakPolarHBondContact CB-O 3.25Å; Q16-Q141 PolarHBondContact N-O 3.16Å; Q16-Q141 PolarHBondContact O-N 2.79Å; Q141-M143 HydrophobicContact CG-CG 4.21Å
142F87.3Confident76.6Confident42 Ų4267 Ų6718%0.18433%0.331CS..EExtended strand (participates in β ladder)trans-78139.1170.7-67.8-72.5000110.5W10 P12 V15 L68 L105 M108 F109 I140W10-F142 HydrophobicContact CH2-CB 4Å; W10-F142 HydrophobicContact CZ3-CB 4.05Å; P12-F142 HydrophobicContact CB-CB 3.96Å; P12-F142 HydrophobicContact CB-CD1 4.01Å; P12-F142 HydrophobicContact CB-CG 4.4Å; P12-F142 HydrophobicContact CG-CB 4.44Å; P12-F142 HydrophobicContact CG-CD1 3.89Å; P12-F142 HydrophobicContact CG-CG 4.44Å; V15-F142 HydrophobicContact CB-CD1 4.36Å; V15-F142 HydrophobicContact CB-CE1 4.46Å; V15-F142 HydrophobicContact CG2-CD1 4.19Å; V15-F142 HydrophobicContact CG2-CE1 4.08Å; L68-F142 HydrophobicContact CD1-CD1 4.42Å; L105-F142 HydrophobicContact CB-CE1 4.2Å; L105-F142 HydrophobicContact CB-CZ 4.18Å; L105-F142 HydrophobicContact CD2-CE1 4.47Å; L105-F142 HydrophobicContact CD2-CZ 4.23Å; L105-F142 WeakPolarHBondContact O-CZ 3.34Å; M108-F142 HydrophobicContact CB-CE2 4.21Å; M108-F142 HydrophobicContact CB-CZ 4.23Å; F109-F142 HydrophobicContact CB-CD2 4.4Å; F109-F142 HydrophobicContact CB-CE1 4.17Å; F109-F142 HydrophobicContact CB-CE2 3.87Å; F109-F142 HydrophobicContact CB-CZ 3.75Å; F109-F142 HydrophobicContact CD2-CB 4.5Å; F109-F142 HydrophobicContact CD2-CD1 4.39Å; F109-F142 AromaticContact CD2-CD2 3.96Å; F109-F142 HydrophobicContact CD2-CD2 3.96Å; F109-F142 HydrophobicContact CD2-CE2 4.28Å; F109-F142 HydrophobicContact CD2-CG 4.02Å; I140-F142 HydrophobicContact CG2-CE2 4.27Å; I140-F142 HydrophobicContact CG2-CZ 4.31Å
143M85.1Confident75.1Confident57 Ų5764.7 Ų64.728%0.28132%0.319SS..EExtended strand (participates in β ladder)trans-134.5154.8-179.6-59.1-170.9-60.600111.1P12 T13 H14 Q16 Q141P12-M143 CarbonylContact C-O 3.54Å; P12-M143 VanDerWaalsContact CA-O 3.28Å; P12-M143 WeakPolarHBondContact CA-O 3.44Å; P12-M143 WeakPolarHBondContact CB-O 3.43Å; T13-M143 PolarHBondContact N-O 3.44Å; H14-M143 HydrophobicContact CB-CB 4.2Å; H14-M143 HydrophobicContact CB-CE 4.03Å; H14-M143 PolarHBondContact N-O 3.39Å; H14-M143 PolarHBondContact O-N 2.74Å; Q16-M143 HydrophobicContact CB-CE 3.93Å; Q16-M143 HydrophobicContact CB-SD 4.31Å; Q141-M143 HydrophobicContact CG-CG 4.21Å
144R76.8Confident73.1Confident83 Ų8368.7 Ų68.731%0.31334%0.343SS..  trans-129.6117.6172.5-176.5179.7-175.5168.6-6.5108.5W10 F11 T13 A149W10-R144 HydrophobicContact CH2-CB 4.38Å; W10-R144 HydrophobicContact CZ2-CB 3.48Å; W10-R144 VanDerWaalsContact CZ2-CB 3.48Å; F11-R144 VanDerWaalsContact O-CD 3.28Å; F11-R144 WeakPolarHBondContact O-CD 3.27Å; T13-R144 HydrophobicContact CG2-CG 4.28Å; R144-A149 HydrophobicContact CG-CB 4.5Å
145N68Low70.9Confident53 Ų5373.2 Ų73.228%0.28338%0.375SS..  trans-77.3126.6174.259.2-11.3000110.3T13 H14 M147 T148T13-N145 WeakPolarHBondContact CB-OD1 3.38Å; T13-N145 PolarHBondContact OG1-N 2.88Å; T13-N145 VanDerWaalsContact OG1-N 3.11Å; T13-N145 PolarHBondContact OG1-OD1 3.48Å; H14-N145 PolarHBondContact CE1-ND2 3.37Å; N145-M147 PolarHBondContact O-N 3.43Å; N145-T148 PolarHBondContact O-N 3.08Å; N145-T148 PolarHBondContact O-OG1 2.93Å; N145-T148 PolarHBondContact OD1-OG1 3.1Å
146N60.6Low68.7Low138 Ų13871.3 Ų71.374%0.73837%0.371SS*.Hα-helixtrans-67.3-23.4-171.3-148.633.1000113.2T148 A149 S150N146-T148 PolarHBondContact O-N 2.93Å; N146-A149 PolarHBondContact O-N 2.83Å; N146-S150 PolarHBondContact O-N 3.06Å
147M54.7Low66.4Low161 Ų16180.5 Ų80.579%0.79341%0.411SS*.Hα-helixtrans-65-34.1179.5-67-97.562.300113.6N145N145-M147 PolarHBondContact O-N 3.43Å
148T53.8Low63.9Low59 Ų5987 Ų8736%0.36244%0.441SS..Hα-helixtrans-88-28.6177.564.20000112.1N145 N146 S150 M151N145-T148 PolarHBondContact O-N 3.08Å; N145-T148 PolarHBondContact O-OG1 2.93Å; N145-T148 PolarHBondContact OD1-OG1 3.1Å; N146-T148 PolarHBondContact O-N 2.93Å; T148-S150 VanDerWaalsContact C-N 3.28Å; T148-S150 PolarHBondContact O-N 2.83Å; T148-M151 PolarHBondContact O-N 2.87Å
149A44.7Very low61.5Low8 Ų895.4 Ų95.47%0.06648%0.478CS..Hα-helixtrans-57.6-41.5177.400000112.2R144 N146 M151 F152 D153R144-A149 HydrophobicContact CG-CB 4.5Å; N146-A149 PolarHBondContact O-N 2.83Å; A149-M151 VanDerWaalsContact C-N 3.29Å; A149-M151 PolarHBondContact O-N 2.87Å; A149-F152 PolarHBondContact O-N 2.83Å; A149-D153 PolarHBondContact O-N 3.11Å
150S50.3Low59.4Low66 Ų66100.4 Ų100.446%0.46251%0.51SS..Hα-helixtrans-54.7-37.2-175.7-167.10000114.1N146 T148 L154N146-S150 PolarHBondContact O-N 3.06Å; T148-S150 VanDerWaalsContact C-N 3.28Å; T148-S150 PolarHBondContact O-N 2.83Å; S150-L154 WeakPolarHBondContact O-CD1 3.44Å; S150-L154 WeakPolarHBondContact O-CG 3.5Å
151M48.3Very low57.4Low160 Ų160111 Ų11179%0.78855%0.549SS*.Hα-helixtrans-75-28.2-177.2-79.6-102.2-7500114.4T148 A149T148-M151 PolarHBondContact O-N 2.87Å; A149-M151 VanDerWaalsContact C-N 3.29Å; A149-M151 PolarHBondContact O-N 2.87Å
152F50.8Low55.7Low141 Ų141111.2 Ų111.262%0.61856%0.558SS**Hα-helixtrans-82.7-35.8178.4-95.8-91.8000112.1L71 A149 L154 S155L71-F152 HydrophobicContact CD1-CE1 4.46Å; A149-F152 PolarHBondContact O-N 2.83Å; F152-L154 PolarHBondContact O-N 3.45Å; F152-S155 WeakPolarHBondContact O-CB 3.3Å; F152-S155 PolarHBondContact O-N 2.94Å; F152-S155 PolarHBondContact O-OG 2.83Å
153D52.6Low54.2Low79 Ų79114.5 Ų114.542%0.42258%0.583SS.*Hα-helixtrans-61.7-43.1-179.7-123.4-59.9000112.2A149 S155 M156A149-D153 PolarHBondContact O-N 3.11Å; D153-S155 PolarHBondContact O-N 2.83Å; D153-M156 WeakPolarHBondContact O-CG 3.46Å; D153-M156 PolarHBondContact O-N 2.86Å; D153-M156 WeakPolarHBondContact OD1-CE 3.25Å
154L46.5Very low52.7Low132 Ų132120.4 Ų120.469%0.69161%0.608SS**THydrogen-bonded Turntrans-65.4-1.1-178.7-65.6171.4000115.1S150 F152S150-L154 WeakPolarHBondContact O-CD1 3.44Å; S150-L154 WeakPolarHBondContact O-CG 3.5Å; F152-L154 PolarHBondContact O-N 3.45Å
155S47.3Very low51.5Low100 Ų100121.5 Ų121.570%0.69963%0.628SS**THydrogen-bonded Turntrans-80.5-27.2170.869.70000113.2F152 D153F152-S155 WeakPolarHBondContact O-CB 3.3Å; F152-S155 PolarHBondContact O-N 2.94Å; F152-S155 PolarHBondContact O-OG 2.83Å; D153-S155 PolarHBondContact O-N 2.83Å
156M48.3Very low50.8Low74 Ų74128.3 Ų128.337%0.36566%0.655SS.*SBendtrans-91.2113.8179.640.7-167.1-178.900111.4S7 D153 E158S7-M156 WeakPolarHBondContact CB-SD 3.3Å; D153-M156 WeakPolarHBondContact O-CG 3.46Å; D153-M156 PolarHBondContact O-N 2.86Å; D153-M156 WeakPolarHBondContact OD1-CE 3.25Å; M156-E158 PolarHBondContact O-N 2.65Å
157K48.8Very low50.6Low193 Ų193130 Ų13084%0.83966%0.664SS**  trans-74.772-179.6-170.9175.1-178.1172.10111K159K157-K159 PolarHBondContact O-N 3.42Å
158E43.6Very low50.8Low171 Ų171131 Ų13180%0.79966%0.663SS**  trans-55.8119.6170.1-69.6-138.5129.700109.9M156M156-E158 PolarHBondContact O-N 2.65Å
159K47.6Very low50.7Low178 Ų178135 Ų13577%0.77468%0.682SS**  trans-87.6118.3168.2-68.3174.5-179.2172.80106.8K157 R161K157-K159 PolarHBondContact O-N 3.42Å; K159-R161 PolarHBondContact O-N 2.67Å
160P49.1Very low51Low126 Ų126144.3 Ų144.382%0.81872%0.721SS**  trans-62108.7175.924.9-33.2000109.2S162P160-S162 PolarHBondContact O-N 2.85Å
161R51.7Low50.8Low242 Ų242147.8 Ų147.891%0.91374%0.74SS**  trans-79.772.3-176.1-162.8178.9-169.5116.80.8110.3K159K159-R161 PolarHBondContact O-N 2.67Å
162S54.2Low50.7Low72 Ų72150.3 Ų150.350%0.50375%0.746SS.*  trans-49.9127.6-177.3175.90000112.2P160 F164 S165P160-S162 PolarHBondContact O-N 2.85Å; S162-F164 PolarHBondContact O-N 3.28Å; S162-S165 PolarHBondContact O-OG 3.29Å
163P56.2Low50.1Low111 Ų111147 Ų14772%0.72175%0.751SS**THydrogen-bonded Turntrans-71.1-13.1-176.729-35.1000113.4S165P163-S165 VanDerWaalsContact C-N 3.29Å; P163-S165 PolarHBondContact O-N 2.87Å
164F53.3Low49.6Very low182 Ų182155.2 Ų155.280%0.79878%0.777SS**THydrogen-bonded Turntrans-83.48.2-174.2-91.8-84.1000115.6S162 K166S162-F164 PolarHBondContact O-N 3.28Å; F164-K166 PolarHBondContact O-N 3.35Å
165S50.6Low49.2Very low105 Ų105158.2 Ų158.273%0.73478%0.784SS**THydrogen-bonded Turntrans-73.423.5-18046.10000115.2S162 P163S162-S165 PolarHBondContact O-OG 3.29Å; P163-S165 VanDerWaalsContact C-N 3.29Å; P163-S165 PolarHBondContact O-N 2.87Å
166K54.5Low48.5Very low197 Ų197159.5 Ų159.586%0.85778%0.783SS**THydrogen-bonded Turntrans-11513.9-177.1-82.8-171175.4-178.90115.8F164F164-K166 PolarHBondContact O-N 3.35Å
167L56.6Low47.9Very low174 Ų174163.1 Ų163.191%0.91180%0.804SS**  trans-119.570.1171.6-157.776.1000112.5
168K58.1Low47.1Very low182 Ų182157.8 Ų157.879%0.79180%0.803SS**  trans-139.8140.6167.6-164.9179.7178.1179.20110.5
169N52.8Low46.4Very low141 Ų141153.6 Ų153.675%0.75481%0.806SS**  trans70.279.9172.5-59.2-18.5000118.1
170K49.5Very low45.7Very low204 Ų204148.8 Ų148.889%0.88781%0.808SS**  trans-146.9154.1140.3-15189.2175-166.90109.1
171V47.3Very low45.1Very low140 Ų140148.4 Ų148.485%0.84880%0.802SS**  trans65.271.2174.2-161.40000116.4
172K46.2Very low44.5Very low212 Ų212147.6 Ų147.692%0.92280%0.801SS**SBendtrans-138114.5138.2-173.278.3175.7-1740108.3
173G38.1Very low43.8Very low71 Ų71148 Ų14873%0.73282%0.816SS**  trans7498162.400000118.9
174R40.5Very low42.8Very low253 Ų253150.1 Ų150.196%0.95582%0.821SS**  trans-141.1105135.1-85.2-152.7171.2-149.4-3111.1
175K38.2Very low42.1Very low195 Ų195148.3 Ų148.385%0.84883%0.826SS**  trans19.5111.7151.6-162173.4-178-175.40119.6
176N34.2Very low41.5Very low127 Ų127148.6 Ų148.668%0.67983%0.827SS**  29.2125.7126.9-152.280.8000119.8
177D35.1Very low40.8Very low150 Ų150145.1 Ų145.180%0.80283%0.828SS**  -165.3149.1111.9-86.4-26.9000111.1
178G31.2Very low40Very low80 Ų80141.1 Ų141.183%0.82582%0.82SS**  trans99.884.4159.800000120.5
179G30.4Very low38.8Very low83 Ų83140.5 Ų140.586%0.85682%0.823SS**  99.783.8129.700000121.8
180G31.7Very low38.4Very low78 Ų78141.4 Ų141.480%0.80483%0.828SS**  trans78.5169.7148.500000118.5
181V37.1Very low37.9Very low117 Ų117137.9 Ų137.971%0.70983%0.826SS**  cis-156.8135.3-16.890.90000110.2
182Y37.8Very low37.1Very low226 Ų226142.5 Ų142.589%0.88683%0.828SS**  trans47.7142.1172.8-52.9-60.8000120.5
183G39.5Very low36.6Very low79 Ų79137.1 Ų137.181%0.81482%0.817SS**  trans151.149.316500000118.4
184D35.9Very low36.6Very low156 Ų156137.9 Ų137.983%0.83482%0.816SS**  trans-67.2142.5158.6-86.3-57.1000110.3
185T38.3Very low36.3Very low145 Ų145132 Ų13289%0.8981%0.808SS**  179.7148.7121.724.70000113.1
186S39.5Very low35.9Very low110 Ų110127.9 Ų127.977%0.76980%0.802SS**  trans-89.1170.2-172.4-49.30000114.6
187S38.7Very low35.6Very low124 Ų124128.7 Ų128.787%0.86781%0.807SS**  trans86.7149.2143.9-60.90000120.2
188A39.7Very low35.6Very low90 Ų90125.8 Ų125.874%0.74480%0.804SS**  trans-80169.2174.300000112.6
189I34.1Very low35.7Very low169 Ų169130.3 Ų130.387%0.86780%0.803SS**  trans-171.6155.8133.2-99.2153000110.8
190L42.8Very low36.5Very low161 Ų161131 Ų13184%0.84379%0.793SS**  trans-86.3149.9176-62.2164.3000112.1
191P39.3Very low36.3Very low130 Ų130132.8 Ų132.884%0.84479%0.793SS**  trans-92.8151.2152.7-6.926.4000111.9
192R31.3Very low35.9Very low236 Ų236131 Ų13189%0.89180%0.798SS**  trans-138.6139.8-177.1-178.6-172.1160.9174.2-3.3111.6
193S36Very low35.5Very low100 Ų100132 Ų13270%0.69980%0.801SS**  trans56.2123.1157.160.50000122.5
194A37.2Very low35.6Very low86 Ų86134.2 Ų134.271%0.71180%0.8SS**  -148.6131.5121.400000106.4
195V34.5Very low35.3Very low130 Ų130131.6 Ų131.679%0.78880%0.801SS**  50.7128.767.4-45.90000113.3
196C29.2Very low34.7Very low108 Ų108133.3 Ų133.373%0.7380%0.799SS**  cis-163.1-174.9-6.2-1140000107.8
197D28.9Very low34.2Very low144 Ų144134.4 Ų134.477%0.7780%0.801SS**  cis-160.6-171.45.6-138.4-66.3000111.3
198A33.6Very low33.7Very low89 Ų89138.2 Ų138.274%0.73680%0.802SS**  trans71.5121.5154.500000122.9
199E33.3Very low33.8Very low175 Ų175139.6 Ų139.682%0.81880%0.803SS**  trans-109.3-177.2160.4-90.6-83.6142.500108.5
200P47.5Very low33.5Very low99 Ų99139.6 Ų139.664%0.64380%0.799SS**  cis-137.2166.12.839.4-21000118.4
201S28.3Very low33Very low114 Ų114137.9 Ų137.980%0.79780%0.796SS**  trans65.7133.9142.971.30000123
202G27.5Very low32.6Very low80 Ų80140.3 Ų140.383%0.82579%0.793SS**  trans165.3131.9163.400000115.9
203R29.6Very low32.7Very low248 Ų248134.9 Ų134.994%0.93679%0.786SS**  trans-133.5175165.9-65-171.5-178.7-170.82.5107.8
204P43.3Very low32.7Very low124 Ų124139.5 Ų139.581%0.80579%0.793SS**  cis-128.3178.2-12.440.6-26.2000113.8
205A29.1Very low32.6Very low102 Ų102146.9 Ų146.984%0.84380%0.803SS**  trans-174.4161.7144.500000111.6
206E26.3Very low32.5Very low181 Ų181144.9 Ų144.985%0.84680%0.795SS**  trans-122.5166.4176.8-77.2-16980.900113.4
207T28.4Very low32.8Very low133 Ų133146.6 Ų146.682%0.81680%0.796SS**  trans112.3117.4151.369.40000120.2
208K28.7Very low33.2Very low203 Ų203147.1 Ų147.188%0.88380%0.798SS**  trans7.6160.7143.7-74.1-179.4179.4178.10121.6
209P41.1Very low33.2Very low120 Ų120148.4 Ų148.478%0.77980%0.801SS**  cis-133.8179.518.630.8-7.3000118.6
210E27.2Very low33.1Very low168 Ų168144 Ų14479%0.78580%0.802SS**  trans-29.2151.4175.2-45.3-170.2122.800121.3
211T32.1Very low32.4Very low126 Ų126143.1 Ų143.177%0.77381%0.812SS**  -165.1124.2102.816.10000116.3
212K32.1Very low32.8Very low181 Ų181146.9 Ų146.979%0.78782%0.817SS**  trans50.9114.7137.5-70175.4-176.2172.70122.8
213V33.9Very low33.2Very low121 Ų121153 Ų15373%0.73382%0.821SS**  96.1102.4127.41760000120.5
214K35Very low34Very low198 Ų198149.5 Ų149.586%0.86182%0.82SS**  trans62.979.9138.7-62.6-179-176.9-179.90120.6
215R34.1Very low33.5Very low241 Ų241149.2 Ų149.291%0.90982%0.821SS**  trans-89.5173.4134.1-73.3-176.6-167.3161.14109.5
216S33.2Very low33.8Very low88 Ų88148.5 Ų148.562%0.61582%0.815SS**  cis179.1165.9-35.565.40000109.6
217L34.9Very low34.5Very low143 Ų143144.2 Ų144.275%0.74981%0.81SS**  trans67.8122153.5-60.4171.4000121.5
218L38.5Very low34.9Very low156 Ų156146.3 Ų146.382%0.81781%0.811SS**  59.6142.9122.8-59.4179.5000124.6
219S33.1Very low35.3Very low115 Ų115141.9 Ų141.980%0.80481%0.805SS**  trans75.792.3135.5-174.80000121
220G30.2Very low35.3Very low82 Ų82145.3 Ų145.385%0.84581%0.813SS**  82.7161111.300000119.1
221G33.5Very low35.8Very low82 Ų82142.5 Ų142.585%0.84581%0.812SS**  trans133.9112.8175.900000113.2
222Q37.5Very low36Very low192 Ų192144.3 Ų144.390%0.89782%0.817SS**  trans-78.6148.1164.4-58.3170.3-65.400109.8
223K36.4Very low36.5Very low209 Ų209143.5 Ų143.591%0.90982%0.82SS**  trans-171.8143.8133.6-103.9155.4-170.7-178.40112.3
224L45.7Very low36.6Very low175 Ų175146.2 Ų146.292%0.91683%0.829SS**  trans-83.9145.2161-62.3166.9000108
225S32.6Very low36.3Very low117 Ų117139.8 Ų139.882%0.81882%0.819SS**  trans-156.7144.3170.7-163.20000113.6
226A35.6Very low36.2Very low88 Ų88135.1 Ų135.173%0.72781%0.812SS**  trans36.7133.7153.800000122.1
227A41.7Very low36.3Very low90 Ų90139 Ų13974%0.74482%0.82SS**  trans-77.9157172.100000114.1
228H36.2Very low36.2Very low178 Ų178142.2 Ų142.282%0.82483%0.828SS**  trans-141.6124.1146.3-72.988.7000104.8
229S36.7Very low36.2Very low110 Ų110145.9 Ų145.977%0.76983%0.831SS**  56.197.864.3-161.50000113.1
230M41.7Very low36.6Very low191 Ų191146 Ų14694%0.94183%0.83SS**  trans-144115.5152.7-72.6-149.3-48.700109.6
231S37.8Very low36.6Very low109 Ų109151.3 Ų151.376%0.76283%0.829SS**  trans-113.1139.2150.4-65.40000106
232D35.5Very low36.8Very low165 Ų165154.1 Ų154.188%0.88282%0.824SS**  trans-169.6162.2141.2-105.5-28.7000113.2
233L43.7Very low36.4Very low164 Ų164153.1 Ų153.186%0.85983%0.825SS**  trans-108.5114.9-175.1-70.9117.6000113
234I34.1Very low36.5Very low178 Ų178148.1 Ų148.191%0.91382%0.816SS**  trans-146.3138156.1-52.4-179.5000107.1
235G29.9Very low35.8Very low63 Ų63148.5 Ų148.565%0.64982%0.815SS**  cis169.1-177.9-4.800000112.2
236N31.7Very low35.7Very low143 Ų143149.8 Ų149.877%0.76581%0.813SS**  trans60106.4166.7-73.312.9000121.7
237H36.3Very low35.3Very low168 Ų168150.7 Ų150.778%0.77881%0.814SS**  35.6124.6115.3-61.9-74.3000120.8
238F32.2Very low34.9Very low212 Ų212153.4 Ų153.493%0.9381%0.814SS**  -146.5138.3123.2-104.9-75.4000112
239R37.3Very low35Very low233 Ų233153.3 Ų153.388%0.87981%0.814SS**  trans-128.8144.7157.5-81.6-164.9-176.4-156.56.3107.1
240P42.5Very low35Very low118 Ų118157 Ų15777%0.76682%0.82SS**  -119.4145.7114.10.219.9000109.4
241K30.7Very low34.6Very low193 Ų193153.6 Ų153.684%0.83982%0.815SS**  cis99.3137.742.5-162.7179.7-179.1-167.60110.2
242L36.9Very low34.3Very low140 Ų140152.1 Ų152.173%0.73382%0.816SS**  trans-67.4158.2-174.8-70.369.9000112
243D28.7Very low34.2Very low172 Ų172149.8 Ų149.892%0.9281%0.813SS**  -137.7159.9126.4-89.3-47.5000110
244S39Very low33.8Very low103 Ų103149.2 Ų149.272%0.7282%0.817SS**  trans-127.5139.8178.1-63.70000109.4
245M32.2Very low33.6Very low184 Ų184144.4 Ų144.491%0.90681%0.811SS**  trans-169.2167.8142.1-113.1-176.2176.800115.6
246N28.7Very low33.7Very low144 Ų144145.1 Ų145.177%0.7782%0.818SS**  trans-83.6155.1-163.3-43.1-45.7000115.7
247S28Very low34.7Very low107 Ų107144.2 Ų144.275%0.74882%0.82SS**  179.6132.8127.1-87.40000110
248I32.6Very low34.7Very low146 Ų146144.5 Ų144.575%0.74982%0.821SS**  65.4132.988.9-126.2173.8000111.6
249E38.1Very low34.9Very low176 Ų176144.7 Ų144.782%0.82282%0.816SS**  cis-133.4143.624-58.4169.9163.300109.3
250E36.8Very low34.9Very low188 Ų188142.8 Ų142.888%0.87981%0.809SS**  76.598.366.9-164.9167.2136.200117.9
251S34.5Very low34.5Very low120 Ų120140.8 Ų140.884%0.83980%0.797SS**  trans179.2125.914158.80000106
252G30Very low34.8Very low77 Ų77139.8 Ų139.879%0.79480%0.796SS**  cis120.1122.637.400000108.3
253S34.3Very low34.9Very low117 Ų117137.4 Ų137.482%0.81879%0.791SS**  cis166.9110.8-36.8174.80000107.6
254T35.1Very low35Very low152 Ų152137 Ų13793%0.93378%0.783SS**  trans-163135.2166.351.20000108.3
255G30.6Very low34.9Very low77 Ų77138.5 Ų138.579%0.79479%0.788SS**  cis-175.4153.1-800000108.9
256G31.5Very low35.7Very low77 Ų77135.2 Ų135.279%0.79478%0.78SS**  trans-91.6-145.8-176.800000114.5
257P53.2Low36Very low125 Ų125131.2 Ų131.281%0.81277%0.773SS**  cis-147143.7-4.839.8-19.4000118.7
258H36.2Very low36.3Very low173 Ų173136 Ų13680%0.80178%0.776SS**  51.6123.6121.4-155.693.7000124.9
259R37.2Very low36.4Very low216 Ų216136.6 Ų136.682%0.81578%0.776SS**  trans-158.3142134.3-91.6-161.9176.8-149.9-0.3109.3
260R35.6Very low36.2Very low194 Ų194135.6 Ų135.673%0.73278%0.776SS**  7513359.4-132.1-157.5173.2-176-0.7112.8
261S34.2Very low36Very low75 Ų75130 Ų13052%0.52477%0.769SS.*  cis-157.11676.1-142.20000112.4
262Q38.5Very low36.1Very low172 Ų172133.7 Ų133.780%0.80477%0.773SS**  trans26.9154.2138.6-74.8161.1-39.300122.3
263S37.5Very low36.5Very low90 Ų90134.6 Ų134.663%0.62977%0.773SS**  cis-146.8-149.26.442.90000110.1
264E31Very low36.9Very low164 Ų164137.9 Ų137.977%0.76678%0.775SS**  cis-155.4-1787.9-155.2113.9-7900111.5
265V36.7Very low36.8Very low135 Ų135136.7 Ų136.782%0.81877%0.773SS**  trans-160.9177.1-169.4-107.70000110
266P50.2Low37.1Very low114 Ų114139.6 Ų139.674%0.7477%0.77SS**  cis-145.3-174.724.945.3-25.3000118.9
267G34.6Very low37.9Very low61 Ų61140.7 Ų140.763%0.62976%0.763SS**  trans88.6159.1162.600000115.9
268Y34.2Very low37.1Very low206 Ų206143.9 Ų143.981%0.80877%0.765SS**  cis-145.5158.5-14.4-77.6-79.4000106.6
269Q34.7Very low37.3Very low160 Ų160141.7 Ų141.775%0.74876%0.764SS**  65.7127.952.1-89.6175.1-8.700114.4
270D33.4Very low37.4Very low154 Ų154137.8 Ų137.882%0.82476%0.759SS**  cis-161.3173.2-1.3-152.2-12.6000111.6
271G33.9Very low37.8Very low71 Ų71135.5 Ų135.573%0.73276%0.76SS**  trans111.8143157.100000119.4
272E36.6Very low37.8Very low198 Ų198137.6 Ų137.693%0.92577%0.774SS**  trans-105.2150.5179.1-62.6168.677.900113
273A38Very low38.1Very low95 Ų95136.2 Ų136.279%0.78577%0.773SS**  159.4130121.200000115.3
274H41.4Very low38.4Very low187 Ų187138.8 Ų138.887%0.86678%0.784SS**  trans3.5121.9158.7-77.9-91.7000121.5
275S33.2Very low39.1Very low126 Ų126137.8 Ų137.888%0.88178%0.784SS**  -166.4142.9116.926.40000113.4
276D37.6Very low39.4Very low139 Ų139136.9 Ų136.974%0.74378%0.781SS**  trans-104.1154.9165.3-166.556.1000105.5
277P47.4Very low38.9Very low100 Ų100138.8 Ų138.865%0.64978%0.78SS**  cis-144.4163.234.441.3-21.2000119.3
278F38.1Very low39Very low192 Ų192145.3 Ų145.384%0.84279%0.791SS**  trans34.396.2151.6-80.3-92.7000119.2
279T39.5Very low39.4Very low126 Ų126145.5 Ų145.577%0.77379%0.791SS**  trans-136.2129144.1360000111.6
280D39Very low40.1Very low134 Ų134142.8 Ų142.872%0.71780%0.797SS**  trans40.489.2147.3-48.7-35.4000117.9
281I43.5Very low41Very low146 Ų146142 Ų14275%0.74980%0.797SS**  59.2107.980.1-54.6163.7000113
282S35.7Very low41.5Very low119 Ų119146.4 Ų146.483%0.83280%0.803SS**  trans-149.9136139.344.30000110.8
283D43.6Very low41.8Very low144 Ų144142.8 Ų142.877%0.7780%0.797SS**  trans-69.9147.8-170.8-59-90.5000114.5
284T44.3Very low42Very low143 Ų143150 Ų15088%0.87780%0.804SS**  trans-176.765.2136.221.80000113.1
285L45.3Very low42Very low143 Ų143148.7 Ų148.775%0.74980%0.803SS**  trans-146.3108.8167.8-159.369.9000114.7Q287L285-Q287 HydrophobicContact CD2-CG 4.37Å; L285-Q287 PolarHBondContact O-N 2.83Å
286P42.4Very low42.5Very low116 Ų116151.3 Ų151.375%0.75379%0.794SS**  trans-83.375.9-176.133.4-35.8000113.2K288P286-K288 PolarHBondContact O-N 2.98Å
287Q40.1Very low42.9Very low154 Ų154151.2 Ų151.272%0.7279%0.793SS**  trans-74.3101170.8-76-175-28.700111.8L285 Y289L285-Q287 HydrophobicContact CD2-CG 4.37Å; L285-Q287 PolarHBondContact O-N 2.83Å; Q287-Y289 PolarHBondContact O-N 3.28Å
288K38.3Very low42.8Very low198 Ų198151.9 Ų151.986%0.86180%0.798SS**  trans-85.194.7173.8-67.1-175.9-179.5179.90111.5P286P286-K288 PolarHBondContact O-N 2.98Å
289Y42.4Very low42.7Very low210 Ų210152.3 Ų152.382%0.82480%0.8SS**  trans-122.9146164-80.5-77.3000111.4Q287Q287-Y289 PolarHBondContact O-N 3.28Å
290A48.4Very low42.6Very low104 Ų104153 Ų15386%0.8679%0.794SS**  trans-89.1131.3179.200000111
291T53Low42.3Very low136 Ų136150.1 Ų150.183%0.83480%0.796SS**  trans-121.3127.8167.746.80000109.3
292L44.8Very low41.8Very low164 Ų164150.3 Ų150.386%0.85979%0.794SS**  trans-78.3140.5179.4-67.9167.4000110.1R294L292-R294 PolarHBondContact O-N 3.28Å
293P42Very low41.6Very low123 Ų123154.7 Ų154.780%0.79979%0.792SS**  trans-65.212917926.2-33.6000111.1N295P293-N295 PolarHBondContact O-N 2.9Å
294R43Very low41Very low247 Ų247151.4 Ų151.493%0.93279%0.792SS**  trans-86.397.4-174.6-169.9178.3-171.4131.2-3.9110.2L292L292-R294 PolarHBondContact O-N 3.28Å
295N40.1Very low40.5Very low158 Ų158154.1 Ų154.185%0.84580%0.795SS**  trans-64.3138.7178-162.411.2000111.3P293P293-N295 PolarHBondContact O-N 2.9Å
296R45.1Very low40Very low181 Ų181156.1 Ų156.168%0.68380%0.8SS**  trans-111.6140.1-178.9-176.1175.8177162.5-1109.4E300R296-E300 IonicContact CZ-OE2 3.9Å; R296-E300 IonicContact NE-OE2 3.62Å; R296-E300 PolarHBondContact NE-OE2 3.38Å; R296-E300 VanDerWaalsContact NH2-CD 3.27Å; R296-E300 IonicContact NH2-OE1 2.72Å; R296-E300 PolarHBondContact NH2-OE1 3.4Å; R296-E300 IonicContact NH2-OE2 3.31Å; R296-E300 PolarHBondContact NH2-OE2 3.27Å
297N44.1Very low40.1Very low137 Ų137156 Ų15673%0.73380%0.8SS**  trans-66.9143.5-171.8-80.211000113F299N297-F299 VanDerWaalsContact C-N 3.26Å; N297-F299 PolarHBondContact O-N 2.95Å; N297-F299 VanDerWaalsContact O-N 3.11Å
298P45.4Very low39.4Very low115 Ų115157.9 Ų157.975%0.74780%0.8SS**SBendtrans-87.435.8-172.938.1-39.3000113.9
299F35.9Very low38.8Very low201 Ų201156 Ų15688%0.88280%0.795SS**  trans-133.524.9-173.1-84.9-75.8000114.5N297N297-F299 VanDerWaalsContact C-N 3.26Å; N297-F299 PolarHBondContact O-N 2.95Å; N297-F299 VanDerWaalsContact O-N 3.11Å
300E37.9Very low38Very low140 Ų140155.1 Ų155.165%0.65479%0.79SS**  trans-90.9133154.3-78170.6108.100108.1R296R296-E300 IonicContact CZ-OE2 3.9Å; R296-E300 IonicContact NE-OE2 3.62Å; R296-E300 PolarHBondContact NE-OE2 3.38Å; R296-E300 VanDerWaalsContact NH2-CD 3.27Å; R296-E300 IonicContact NH2-OE1 2.72Å; R296-E300 PolarHBondContact NH2-OE1 3.4Å; R296-E300 IonicContact NH2-OE2 3.31Å; R296-E300 PolarHBondContact NH2-OE2 3.27Å
301G32.8Very low37.2Very low74 Ų74155.1 Ų155.176%0.76379%0.789SS**  trans-147.9-171-174.400000114.5
302E33.3Very low36.1Very low150 Ų150156.4 Ų156.470%0.70179%0.786SS**  trans81.8128.9174-91.6-147.4100.700121.1
303R31.8Very low35.4Very low211 Ų211160.9 Ų160.980%0.79679%0.792SS**  trans66.4108.5154.1-59.1-171-64.1-103.22.2119.2
304G31.2Very low35Very low74 Ų74164.9 Ų164.976%0.76379%0.791SS**  trans-169.427.117800000119.8
305Q33.8Very low34.6Very low200 Ų200159.7 Ų159.794%0.93578%0.777SS**  trans61.7145.4161.8-57.717910.100120.7
306Q34.5Very low34.4Very low185 Ų185160.9 Ų160.986%0.86478%0.775SS**  trans-93.7171.4165.7-81.8-173.717.500109.2
307P44.3Very low34Very low114 Ų114160.6 Ų160.674%0.7478%0.779SS**  cis-143.1-166.429.141-18.2000117.3
308W25.7Very low33.7Very low193 Ų193160.8 Ų160.873%0.73178%0.775SS**  trans-73.4158-177.870.9-72000114.9R310W308-R310 HydrophobicContact CZ3-CB 4.28Å
309E25.7Very low33.2Very low159 Ų159162.8 Ų162.874%0.74377%0.772SS**  trans-158.1177.8151.4-112.9-62.4154.300109.1
310R26.1Very low33.2Very low192 Ų192159.7 Ų159.773%0.72577%0.769SS**  trans-133.2133.2-146.2172.8-172.9178.4179.80.4114.1W308W308-R310 HydrophobicContact CZ3-CB 4.28Å
311A31.1Very low32.9Very low103 Ų103157.6 Ų157.685%0.85177%0.77SS**  trans-149.9127.9165.600000113.1
312E28.9Very low33Very low164 Ų164160.9 Ų160.977%0.76677%0.769SS**  trans-94.3144.5168.2-63.2177.893.300110.9
313R31.6Very low33.1Very low258 Ų258161.2 Ų161.297%0.97478%0.775SS**  trans-155.1161.7137.6-119.1176.6-172.5-130.3-0.3113.9
314R31.8Very low33.3Very low206 Ų206158.6 Ų158.678%0.77777%0.772SS**  trans-105.1155.5-152.1-92.2166.5159.4-123.311.2115.1
315E35.5Very low33.9Very low138 Ų138166.8 Ų166.865%0.64578%0.78SS**  trans63.8127.7142.4-70.51697400120.9
316K35.6Very low33.8Very low183 Ų183162 Ų16280%0.79676%0.764SS**  -166.912794.1-96.5153.4-171.1171.30114.2
317K37.6Very low33.7Very low176 Ų176159.7 Ų159.777%0.76576%0.763SS**  trans61.1121.8141.8-61.9-173177-167.80119
318E37.4Very low33.3Very low141 Ų141158.2 Ų158.266%0.65977%0.768SS**  77.114160.4-77.1-161.4131.900114.7
319K35.2Very low33.7Very low157 Ų157159 Ų15968%0.68378%0.777SS**  cis-176135.6-18.7-127.6-177.2-153.9154.90109.1
320V34.8Very low34.2Very low136 Ų136161.3 Ų161.382%0.82478%0.784SS**  trans48.7-171.9163.1-58.70000115.1
321S33.1Very low34.5Very low95 Ų95161.2 Ų161.266%0.66479%0.792SS**  cis-142.7143.31.2-113.60000107.9
322L33.5Very low34.5Very low143 Ų143159.5 Ų159.575%0.74979%0.785SS**  79.997.270.6-159.9150000113.3
323L35.7Very low34.8Very low157 Ų157163.3 Ų163.382%0.82279%0.792SS**  trans66.2163.4161.2-83.376.1000121.2
324E35.7Very low35Very low157 Ų157162.8 Ų162.873%0.73479%0.79SS**  trans79.487.8147.2-151158.2-15400122.1V326E324-V326 HydrophobicContact CG-CB 4.31Å; E324-V326 HydrophobicContact CG-CG2 3.45Å; E324-V326 VanDerWaalsContact CG-CG2 3.45Å; E324-V326 WeakPolarHBondContact OE1-CG2 3.38Å
325R45.2Very low35.2Very low246 Ų246158 Ų15893%0.92880%0.795SS**  -136.4109.2128.8-65.7-169.4178.598.72.4106.9
326V31Very low35.1Very low98 Ų98154.3 Ų154.359%0.59479%0.794SS**  68.1109.650.51680000113.8E324E324-V326 HydrophobicContact CG-CB 4.31Å; E324-V326 HydrophobicContact CG-CG2 3.45Å; E324-V326 VanDerWaalsContact CG-CG2 3.45Å; E324-V326 WeakPolarHBondContact OE1-CG2 3.38Å
327T32.5Very low35Very low138 Ų138154.2 Ų154.285%0.84780%0.802SS**  trans51107162.855.70000119.9
328G35Very low34.7Very low83 Ų83149.6 Ų149.686%0.85681%0.805SS**  trans-142.7105.315900000110.5
329K34.3Very low34.4Very low209 Ų209146.3 Ų146.391%0.90981%0.808SS**  trans-114.9114.2-163.7173.2-173.6175.1-177.30112.2
330K37.1Very low34.4Very low207 Ų207150.6 Ų150.690%0.982%0.82SS**  trans-155.8165.1155.7-144.7158.7-176.5174.80113.2
331E32Very low34.3Very low190 Ų190150.2 Ų150.289%0.88882%0.823SS**  trans-92.7163.7-162.6-52.7-177.716800113.6
332G31.8Very low34.2Very low68 Ų68149.1 Ų149.170%0.70183%0.827SS**  cis162.5-167.7-5.700000114.5
333R34.3Very low34.2Very low243 Ų243147.9 Ų147.992%0.91783%0.831SS**  trans76.1106.3174.4-58.8-170.8178.6-137.6-1.2119.7
334R35.5Very low34.1Very low247 Ų247146 Ų14693%0.93283%0.83SS**  40.6140.9121.9-63.7-175.7-175.6-168.41.3119.4
335A37.5Very low33.9Very low106 Ų106141.8 Ų141.888%0.87683%0.829SS**  cis-156.1177.65.800000109.2
336G31.7Very low33.3Very low61 Ų61137.6 Ų137.663%0.62983%0.825SS**  cis175.8175.10.100000111.6
337N34.5Very low33.6Very low180 Ų180140.2 Ų140.296%0.96384%0.835SS**  trans68140.6-178.3-54.3-4.4000116.1
338G30.9Very low33.6Very low80 Ų80145.3 Ų145.383%0.82584%0.838SS**  cis161.3126.8-13.200000114
339G31.3Very low33.8Very low71 Ų71146.3 Ų146.373%0.73283%0.832SS**  trans78.4135178.100000114.3
340R34.8Very low34.2Very low248 Ų248142.2 Ų142.294%0.93683%0.827SS**  cis61.8127.436.4-49.4-176.988.6-172.66.1112
341S32.4Very low34Very low127 Ų127139.8 Ų139.889%0.88882%0.824SS**  cis-161.3168.36.640.60000109.4
342G31.3Very low34.7Very low72 Ų72135.1 Ų135.174%0.74281%0.811SS**  cis-179.3-163.7400000110.9
343S32.7Very low34.6Very low118 Ų118141.8 Ų141.883%0.82582%0.82SS**  trans12.9131.7164.4-81.90000120.9
344S33.5Very low34.6Very low117 Ų117136.3 Ų136.382%0.81882%0.819SS**  cis48.710325-165.30000114
345G33.3Very low34.7Very low68 Ų68128.7 Ų128.770%0.70181%0.81SS**  cis133.3153.210.100000108.8
346D31.9Very low34.6Very low159 Ų159131.1 Ų131.185%0.8581%0.808SS**  trans-153171.2176-134.8-38.5000114.7
347L37.9Very low34.7Very low152 Ų152132.7 Ų132.780%0.79681%0.814SS**  trans-118.8142.9-155.8-61.6161.4000113
348R31.1Very low34.7Very low245 Ų245128.8 Ų128.893%0.92581%0.808SS**  -166.6140.1129.9-114170.2-177.3-106.90.2113.6
349S40Very low34.9Very low104 Ų104129.9 Ų129.973%0.72781%0.809SS**PPolyproline II helixtrans-91.7151.5166.247.20000111.2
350P42.8Very low35.1Very low124 Ų124134.1 Ų134.181%0.80582%0.815SS**PPolyproline II helixtrans-89.5154.6155.834.5-30000111.2
351N32.6Very low35.5Very low155 Ų155129.1 Ų129.183%0.82981%0.812SS**PPolyproline II helixtrans-93.4155.5-179.2-15255.4000110.6
352P46.2Very low35.7Very low93 Ų93130.3 Ų130.360%0.60481%0.808SS**SBendtrans-74.4169.6171.732.1-35.8000112.5
353F30.2Very low36.3Very low207 Ų207132.2 Ų132.291%0.90881%0.808SS**  trans80.197.5-175.2-67-82.3000117.3
354S34.7Very low36.3Very low128 Ų128135.7 Ų135.790%0.89581%0.808SS**  trans-142146.7131.8-89.90000108.3
355A37.3Very low36.3Very low88 Ų88135.2 Ų135.273%0.72781%0.805SS**  trans-98.1-179.3171.500000109.3
356D34.8Very low36.4Very low157 Ų157141.9 Ų141.984%0.8482%0.815SS**  cis-160.7-168.17.3-144.5-37.9000109.9
357A34.8Very low36.3Very low93 Ų93137.9 Ų137.977%0.76981%0.811SS**  trans85.2117.2155.900000120.4
358A33.8Very low36.1Very low99 Ų99141.7 Ų141.782%0.81882%0.816SS**  trans-69.9167178.800000117.7
359A35.7Very low36.1Very low103 Ų103139.8 Ų139.885%0.85182%0.815SS**  trans-159.2139.4138.200000111
360D35.7Very low35.7Very low159 Ų159141.7 Ų141.785%0.8582%0.822SS**  trans-95.7136-175.3-61.4-86.8000114.4
361T42.2Very low35.2Very low143 Ų143141.5 Ų141.588%0.87782%0.824SS**  trans-146.7140153.7-41.40000111.1
362N37.7Very low35.1Very low152 Ų152141.4 Ų141.481%0.81382%0.823SS**  trans-73.1148.4-174.6-79-66.5000114.6
363P42.5Very low34.4Very low113 Ų113143.7 Ų143.773%0.73483%0.83SS**  trans-92.66.4-167.137-38.9000116.6
364F34.3Very low34.4Very low190 Ų190141.1 Ų141.183%0.83382%0.819SS**  trans-10790.2-171.3-73.9-75.8000113.7
365S32.8Very low34.2Very low107 Ų107142.1 Ų142.175%0.74881%0.81SS**  trans-163.4122.1158.2-88.80000114.8
366F34.7Very low33.7Very low209 Ų209148.6 Ų148.692%0.91782%0.815SS**  trans53.4136.7150.1-73.5-89.1000122.2
367G31.1Very low33.3Very low74 Ų74144.6 Ų144.676%0.76381%0.811SS**  trans179.819.4173.800000118.5K369G367-K369 PolarHBondContact O-N 3.03Å
368Y32.3Very low33Very low232 Ų232146.2 Ų146.291%0.9182%0.816SS**  trans-67.7120175.8-80.7-87.6000111.6
369K31.3Very low32.8Very low205 Ų205150 Ų15089%0.89182%0.817SS**  trans-141.2127.8154.6-73.7-162.3175.5-175.50111.3G367G367-K369 PolarHBondContact O-N 3.03Å
370T32.1Very low32.5Very low145 Ų145153.6 Ų153.689%0.8982%0.822SS**  trans-77.3153.9166.832.20000111.1
371S32.2Very low32.1Very low119 Ų119149.5 Ų149.583%0.83282%0.817SS**  trans-152.7148.9162.855.20000111.1
372D31.6Very low31.4Very low153 Ų153150 Ų15082%0.81881%0.814SS**  trans-91.6145.1-165.9-77.7-89.8000115.4
373N30.7Very low30.9Very low141 Ų141152 Ų15275%0.75482%0.815SS**  27.1120.6129.6-164.211.5000119.5
374K31.2Very low30.2Very low154 Ų154149.9 Ų149.967%0.6781%0.814SS**  140.5123111.3-166.6168.3-179.2178.30116.6
375Q28.7Very low30.1Very low149 Ų149150.1 Ų150.170%0.69682%0.818SS**  trans62158.1158.7-75.1174.5-3.500116.9
376R28Very low30.1Very low224 Ų224154.9 Ų154.985%0.84583%0.825SS**  cis-129.3168-15.2-92.3135.6-179.3-1068.5105.1
377G25.8Very low30Very low72 Ų72155 Ų15574%0.74283%0.825SS**  cis106.377.42100000111.7
378S29Very low30.1Very low127 Ų127160.5 Ų160.589%0.88883%0.828SS**  trans-168162.7157.4-132.70000111.2
379E28.8Very low30.2Very low180 Ų180158.3 Ų158.384%0.84182%0.824SS**  trans-103.2153.3-170.3-59.3161.9108.600112.8
380D29.4Very low30.2Very low178 Ų178155.5 Ų155.595%0.95282%0.818SS**  170.1169.7127.3-111-35.8000114.1
381G27.9Very low30.6Very low72 Ų72155.3 Ų155.374%0.74281%0.81SS**  trans103.885.7145.700000119
382L27.9Very low30.6Very low154 Ų154159.9 Ų159.981%0.80682%0.816SS**  trans-75.2160.9173.4-16964.9000113.5
383F27.4Very low30.7Very low193 Ų193155.7 Ų155.785%0.84681%0.808SS**  trans74.1145.2177.9-61.2-91.9000116.9
384G26.9Very low30.8Very low69 Ų69159.1 Ų159.171%0.71182%0.816SS**  cis142.786.5-800000114.3
385Q31.4Very low31.2Very low196 Ų196160.6 Ų160.692%0.91682%0.823SS**  trans-135148.6172.1-75.6-158.32.300114.6
386K33.4Very low31.9Very low206 Ų206161.7 Ų161.790%0.89683%0.833SS**  trans-78.3138.9178.4-58.8164.5-177.7169.20110.2
387K32.6Very low32.6Very low211 Ų211157.2 Ų157.292%0.91783%0.831SS**  trans-116152154.9-84.5-171.7174.2179.70110.8
388K34.6Very low33.7Very low190 Ų190157.1 Ų157.183%0.82682%0.823SS**  trans-71.1158.1-174.4-70.2-179.5178.4177.80111.3
389K33.1Very low34.4Very low187 Ų187154.9 Ų154.981%0.81381%0.805SS**  trans-107.379.5-177.5-175.4-173.5-179.3-179.10109.1
390D31.5Very low35.4Very low146 Ų146151.4 Ų151.478%0.78180%0.799SS**  trans-80.6131.1175.8-61.5-52.4000109.8
391I41.1Very low36.5Very low140 Ų140148.3 Ų148.372%0.71878%0.782SS**  trans-106.5114.4-173.4-63.6168.7000108
392F32.1Very low38Very low216 Ų216148.2 Ų148.295%0.94777%0.767SS**  trans-166151.3148.4-114-74.8000111.6
393G32.4Very low39.5Very low64 Ų64144.1 Ų144.166%0.6676%0.756SS**  trans73.664.9157.700000118.3K395G393-K395 PolarHBondContact O-N 2.84Å
394K34.3Very low41.1Very low213 Ų213137.9 Ų137.993%0.92674%0.74SS**  trans-66.394.2157.2-85.8-169173.8-171.60109.9
395K39.5Very low42.7Very low185 Ų185140.3 Ų140.380%0.80474%0.736SS**  trans-68.5151156.4-70.9-176.3176.6-1790108.9G393 V397G393-K395 PolarHBondContact O-N 2.84Å; K395-V397 VanDerWaalsContact C-N 3.35Å; K395-V397 PolarHBondContact O-N 2.88Å
396N43.4Very low44.3Very low172 Ų172135 Ų13592%0.9271%0.708SS**  trans-70.289.2176-74.2-29.6000110.4
397V42.2Very low46.1Very low131 Ų131129.4 Ų129.479%0.79470%0.695SS**PPolyproline II helixtrans-83.6118166.9-179.70000107.5K395K395-V397 VanDerWaalsContact C-N 3.35Å; K395-V397 PolarHBondContact O-N 2.88Å
398A48.3Very low48.3Very low70 Ų70126.2 Ų126.258%0.57969%0.688SS**PPolyproline II helixtrans-64.1148.2174.100000110.6
399P43.4Very low50.3Low79 Ų79120.5 Ų120.551%0.51367%0.666SS.*PPolyproline II helixtrans-58.5135.6177.3-23.733.9000111.8D401 T402P399-D401 PolarHBondContact O-N 3.16Å; P399-D401 VanDerWaalsContact O-N 3.12Å; P399-T402 PolarHBondContact O-N 2.8Å; P399-T402 PolarHBondContact O-OG1 2.73Å
400P51Low52.9Low108 Ų108115.6 Ų115.670%0.70165%0.652SS**THydrogen-bonded Turntrans-61.4-25.1-176.627.1-35.2000112.5T402 A403P400-T402 PolarHBondContact O-N 2.6Å; P400-A403 PolarHBondContact O-N 2.88Å
401D52.6Low55.5Low113 Ų113116.5 Ų116.560%0.60465%0.649SS**Hα-helixtrans-69.9-14.7-174.9-43.3-64.8000113.6P399 A403 A404P399-D401 PolarHBondContact O-N 3.16Å; P399-D401 VanDerWaalsContact O-N 3.12Å; D401-A403 VanDerWaalsContact C-N 3.34Å; D401-A403 PolarHBondContact O-N 3.17Å; D401-A404 PolarHBondContact O-N 2.82Å
402T58.7Low57.8Low69 Ų69114.9 Ų114.942%0.42364%0.642SS.*Hα-helixtrans-65.7-34.8177.852.60000112.7P399 P400 A404 N405 Y406P399-T402 PolarHBondContact O-N 2.8Å; P399-T402 PolarHBondContact O-OG1 2.73Å; P400-T402 PolarHBondContact O-N 2.6Å; T402-A404 VanDerWaalsContact C-N 3.35Å; T402-A404 PolarHBondContact O-N 2.9Å; T402-N405 PolarHBondContact O-N 2.81Å; T402-Y406 WeakPolarHBondContact O-CD2 3.31Å; T402-Y406 WeakPolarHBondContact O-CE2 3.21Å
403A58.9Low60.4Low69 Ų69108.9 Ų108.957%0.5762%0.617SS**Hα-helixtrans-67.3-34178.600000112.8P400 D401 N405 Y406 S407P400-A403 PolarHBondContact O-N 2.88Å; D401-A403 VanDerWaalsContact C-N 3.34Å; D401-A403 PolarHBondContact O-N 3.17Å; A403-N405 PolarHBondContact O-N 3Å; A403-Y406 PolarHBondContact O-N 3.44Å; A403-Y406 VanDerWaalsContact O-N 3.16Å; A403-S407 PolarHBondContact O-N 2.86Å
404A61.4Low63Low62 Ų62108 Ų10851%0.51260%0.598SS.*Hα-helixtrans-65.8-22.8179.100000113.3D401 T402 Y406 S407D401-A404 PolarHBondContact O-N 2.82Å; T402-A404 VanDerWaalsContact C-N 3.35Å; T402-A404 PolarHBondContact O-N 2.9Å; A404-Y406 VanDerWaalsContact C-N 3.34Å; A404-S407 PolarHBondContact O-OG 3.48Å
405N61.9Low65.6Low119 Ų119100.6 Ų100.664%0.63657%0.571SS**THydrogen-bonded Turntrans-80.1-13.6176.9-69.4-16.8000113.6T402 A403 L409T402-N405 PolarHBondContact O-N 2.81Å; A403-N405 PolarHBondContact O-N 3Å; N405-L409 WeakPolarHBondContact O-CD1 3.34Å
406Y64Low67.9Low85 Ų8598.2 Ų98.233%0.33356%0.563SS.*THydrogen-bonded Turntrans-112.5-8.8-178.3-57.7-66.9000114.1T402 A403 A404 N408 L409 E417 Q421T402-Y406 WeakPolarHBondContact O-CD2 3.31Å; T402-Y406 WeakPolarHBondContact O-CE2 3.21Å; A403-Y406 PolarHBondContact O-N 3.44Å; A403-Y406 VanDerWaalsContact O-N 3.16Å; A404-Y406 VanDerWaalsContact C-N 3.34Å; Y406-N408 PolarHBondContact O-N 2.96Å; Y406-N408 VanDerWaalsContact O-N 3.15Å; Y406-L409 PolarHBondContact O-N 2.82Å; Y406-E417 HydrophobicContact CE1-CG 4.26Å; Y406-Q421 PolarHBondContact OH-NE2 3.24Å
407S71.3Confident69.9Low88 Ų8892.4 Ų92.462%0.61553%0.53SS*.THydrogen-bonded Turntrans-65.8-14.2-177.756.60000115.3A403 A404A403-S407 PolarHBondContact O-N 2.86Å; A404-S407 PolarHBondContact O-OG 3.48Å
408N79Confident72.1Confident145 Ų14591.4 Ų91.478%0.77552%0.52SS*.THydrogen-bonded Turntrans-105.34.6-179.7-59.6-74.9000113.4Y406Y406-N408 PolarHBondContact O-N 2.96Å; Y406-N408 VanDerWaalsContact O-N 3.15Å
409L76.8Confident74.2Confident70 Ų7093.1 Ų93.137%0.36652%0.518SS..SBendtrans-107.9147.9179.8-67.6101.1000110.9N405 Y406 E413 V414N405-L409 WeakPolarHBondContact O-CD1 3.34Å; Y406-L409 PolarHBondContact O-N 2.82Å; L409-E413 HydrophobicContact CB-CB 4.11Å; L409-E413 HydrophobicContact CD2-CB 3.92Å; L409-V414 HydrophobicContact CB-CG2 3.8Å
410T88.1Confident76.4Confident83 Ų8395 Ų9551%0.50952%0.518SS..  trans-70.8161.6172.563.90000111.4D412 E413 V414T410-D412 VanDerWaalsContact C-N 3.28Å; T410-D412 PolarHBondContact O-N 3.01Å; T410-E413 WeakPolarHBondContact CB-OE2 3.27Å; T410-E413 WeakPolarHBondContact CG2-OE2 3.4Å; T410-E413 PolarHBondContact N-OE2 2.79Å; T410-E413 PolarHBondContact O-N 3.5Å; T410-E413 VanDerWaalsContact O-N 3.13Å; T410-E413 VanDerWaalsContact OG1-CD 3.3Å; T410-E413 VanDerWaalsContact OG1-CG 3.31Å; T410-E413 WeakPolarHBondContact OG1-CG 3.28Å; T410-E413 PolarHBondContact OG1-OE2 2.82Å; T410-V414 WeakPolarHBondContact O-CG2 3.38Å; T410-V414 PolarHBondContact O-N 2.87Å
411F85.3Confident78.3Confident165 Ų16593.7 Ų93.772%0.72450%0.503SS*.Hα-helixtrans-53.3-44.8-179.9179.2-98000112.5E413 V414 V415F411-E413 PolarHBondContact O-N 2.97Å; F411-V414 PolarHBondContact O-N 3.48Å; F411-V415 HydrophobicContact CD1-CG2 4.22Å; F411-V415 HydrophobicContact CE1-CG2 3.9Å; F411-V415 HydrophobicContact CE2-CG2 4.48Å; F411-V415 HydrophobicContact CZ-CG2 4.05Å; F411-V415 VanDerWaalsContact O-CG2 3.26Å; F411-V415 WeakPolarHBondContact O-CG2 3.27Å; F411-V415 PolarHBondContact O-N 2.81Å
412D89.2Confident80Confident107 Ų10795.5 Ų95.557%0.57251%0.505SS*.Hα-helixtrans-68-34.8-179.3-65.8-25.7000112.5T410 V415 Q416T410-D412 VanDerWaalsContact C-N 3.28Å; T410-D412 PolarHBondContact O-N 3.01Å; D412-V415 PolarHBondContact O-N 2.85Å; D412-Q416 WeakPolarHBondContact O-CB 3.4Å; D412-Q416 WeakPolarHBondContact O-CG 3.24Å; D412-Q416 PolarHBondContact O-N 2.9Å
413E86.6Confident81.7Confident89 Ų8995.2 Ų95.242%0.41650%0.499SS..Hα-helixtrans-69.8-39.3174.9-69168.4121.600111.9L409 T410 F411 V415 Q416 E417L409-E413 HydrophobicContact CB-CB 4.11Å; L409-E413 HydrophobicContact CD2-CB 3.92Å; T410-E413 WeakPolarHBondContact CB-OE2 3.27Å; T410-E413 WeakPolarHBondContact CG2-OE2 3.4Å; T410-E413 PolarHBondContact N-OE2 2.79Å; T410-E413 PolarHBondContact O-N 3.5Å; T410-E413 VanDerWaalsContact O-N 3.13Å; T410-E413 VanDerWaalsContact OG1-CD 3.3Å; T410-E413 VanDerWaalsContact OG1-CG 3.31Å; T410-E413 WeakPolarHBondContact OG1-CG 3.28Å; T410-E413 PolarHBondContact OG1-OE2 2.82Å; F411-E413 PolarHBondContact O-N 2.97Å; E413-V415 VanDerWaalsContact C-N 3.33Å; E413-Q416 PolarHBondContact O-N 2.77Å; E413-E417 WeakPolarHBondContact O-CB 3.47Å; E413-E417 PolarHBondContact O-N 2.94Å
414V86.9Confident83.2Confident45 Ų4595.3 Ų95.327%0.27349%0.493SS..Hα-helixtrans-63.9-40.2173175.70000110.7L409 T410 F411 E417 L418L409-V414 HydrophobicContact CB-CG2 3.8Å; T410-V414 WeakPolarHBondContact O-CG2 3.38Å; T410-V414 PolarHBondContact O-N 2.87Å; F411-V414 PolarHBondContact O-N 3.48Å; V414-E417 PolarHBondContact O-N 2.94Å; V414-L418 VanDerWaalsContact O-CB 3.3Å; V414-L418 WeakPolarHBondContact O-CB 3.36Å; V414-L418 PolarHBondContact O-N 3.32Å
415V89.3Confident84.5Confident58 Ų5896 Ų9635%0.35249%0.49SS..Hα-helixtrans-63.4-44.9174168.90000111.2F411 D412 E413 L418 I419F411-V415 HydrophobicContact CD1-CG2 4.22Å; F411-V415 HydrophobicContact CE1-CG2 3.9Å; F411-V415 HydrophobicContact CE2-CG2 4.48Å; F411-V415 HydrophobicContact CZ-CG2 4.05Å; F411-V415 VanDerWaalsContact O-CG2 3.26Å; F411-V415 WeakPolarHBondContact O-CG2 3.27Å; F411-V415 PolarHBondContact O-N 2.81Å; D412-V415 PolarHBondContact O-N 2.85Å; E413-V415 VanDerWaalsContact C-N 3.33Å; V415-L418 PolarHBondContact O-N 3.48Å; V415-I419 HydrophobicContact CG1-CD1 3.89Å; V415-I419 VanDerWaalsContact O-CG1 3.28Å; V415-I419 WeakPolarHBondContact O-CG1 3.44Å; V415-I419 PolarHBondContact O-N 3.44Å
416Q87.5Confident86Confident135 Ų13596.6 Ų96.663%0.63148%0.483SS*.Hα-helixtrans-62.2-43175.5-76-178.837.700112.2D412 E413 I419 K420D412-Q416 WeakPolarHBondContact O-CB 3.4Å; D412-Q416 WeakPolarHBondContact O-CG 3.24Å; D412-Q416 PolarHBondContact O-N 2.9Å; E413-Q416 PolarHBondContact O-N 2.77Å; Q416-I419 PolarHBondContact O-N 2.99Å; Q416-K420 VanDerWaalsContact O-CB 3.28Å; Q416-K420 WeakPolarHBondContact O-CB 3.47Å; Q416-K420 PolarHBondContact O-N 2.9Å
417E84.8Confident87.3Confident51 Ų5198.2 Ų98.224%0.23849%0.492CS..Hα-helixtrans-66.7-38.5177.8-17256.7-14500111.6Y406 E413 V414 K420 Q421Y406-E417 HydrophobicContact CE1-CG 4.26Å; E413-E417 WeakPolarHBondContact O-CB 3.47Å; E413-E417 PolarHBondContact O-N 2.94Å; V414-E417 PolarHBondContact O-N 2.94Å; E417-K420 WeakPolarHBondContact O-CB 3.43Å; E417-K420 PolarHBondContact O-N 3.42Å; E417-K420 IonicContact OE1-NZ 2.72Å; E417-K420 PolarHBondContact OE1-NZ 3.16Å; E417-K420 WeakPolarHBondContact OE2-CD 3.18Å; E417-K420 IonicContact OE2-NZ 2.59Å; E417-K420 PolarHBondContact OE2-NZ 3.12Å; E417-Q421 HydrophobicContact CG-CG 4.47Å; E417-Q421 WeakPolarHBondContact O-CB 3.49Å; E417-Q421 VanDerWaalsContact O-CG 3.3Å; E417-Q421 WeakPolarHBondContact O-CG 3.22Å; E417-Q421 PolarHBondContact O-N 2.85Å; E417-Q421 PolarHBondContact OE1-NE2 2.98Å
418L88.6Confident88.3Confident110 Ų110100.2 Ų100.258%0.57649%0.49SS*.Hα-helixtrans-64.5-42.1174.7-168157.1000111.5V414 V415 Q421 K422V414-L418 VanDerWaalsContact O-CB 3.3Å; V414-L418 WeakPolarHBondContact O-CB 3.36Å; V414-L418 PolarHBondContact O-N 3.32Å; V415-L418 PolarHBondContact O-N 3.48Å; L418-Q421 PolarHBondContact O-N 2.92Å; L418-K422 VanDerWaalsContact O-CB 3.29Å; L418-K422 WeakPolarHBondContact O-CB 3.22Å; L418-K422 PolarHBondContact O-N 2.86Å
419I92.2Very high88.7Confident105 Ų10596.9 Ų96.954%0.53847%0.472SS..Hα-helixtrans-61.5-43.9173-69.8165.1000110.8V415 Q416 K422 E423V415-I419 HydrophobicContact CG1-CD1 3.89Å; V415-I419 VanDerWaalsContact O-CG1 3.28Å; V415-I419 WeakPolarHBondContact O-CG1 3.44Å; V415-I419 PolarHBondContact O-N 3.44Å; Q416-I419 PolarHBondContact O-N 2.99Å; I419-K422 PolarHBondContact O-N 2.96Å; I419-E423 WeakPolarHBondContact O-CB 3.25Å; I419-E423 PolarHBondContact O-N 3.3Å
420K91.4Very high89.5Confident119 Ų11995.4 Ų95.452%0.51747%0.47SS..Hα-helixtrans-63.7-41.6177.1166.9168.8160.5-89.50112.3Q416 E417 E423 V424Q416-K420 VanDerWaalsContact O-CB 3.28Å; Q416-K420 WeakPolarHBondContact O-CB 3.47Å; Q416-K420 PolarHBondContact O-N 2.9Å; E417-K420 WeakPolarHBondContact O-CB 3.43Å; E417-K420 PolarHBondContact O-N 3.42Å; E417-K420 IonicContact OE1-NZ 2.72Å; E417-K420 PolarHBondContact OE1-NZ 3.16Å; E417-K420 WeakPolarHBondContact OE2-CD 3.18Å; E417-K420 IonicContact OE2-NZ 2.59Å; E417-K420 PolarHBondContact OE2-NZ 3.12Å; K420-E423 PolarHBondContact O-N 3.13Å; K420-V424 WeakPolarHBondContact O-CG2 3.12Å; K420-V424 PolarHBondContact O-N 3.41Å
421Q89Confident89.6Confident80 Ų8095.3 Ų95.337%0.37446%0.464SS..Hα-helixtrans-67.1-43.3174.4-72.7177.819.100111.5Y406 E417 L418 E423 V424 V425Y406-Q421 PolarHBondContact OH-NE2 3.24Å; E417-Q421 HydrophobicContact CG-CG 4.47Å; E417-Q421 WeakPolarHBondContact O-CB 3.49Å; E417-Q421 VanDerWaalsContact O-CG 3.3Å; E417-Q421 WeakPolarHBondContact O-CG 3.22Å; E417-Q421 PolarHBondContact O-N 2.85Å; E417-Q421 PolarHBondContact OE1-NE2 2.98Å; L418-Q421 PolarHBondContact O-N 2.92Å; Q421-E423 VanDerWaalsContact C-N 3.29Å; Q421-E423 PolarHBondContact O-N 2.99Å; Q421-V424 PolarHBondContact O-N 2.91Å; Q421-V424 VanDerWaalsContact O-N 3.13Å; Q421-V425 WeakPolarHBondContact O-CG2 3.05Å; Q421-V425 PolarHBondContact O-N 3.08Å
422K90.2Very high90Very high151 Ų15191.4 Ų91.466%0.65745%0.449SS*.Hα-helixtrans-58.1-40173.3-176.4178.8-180179.50112.1L418 I419 V425 R426L418-K422 VanDerWaalsContact O-CB 3.29Å; L418-K422 WeakPolarHBondContact O-CB 3.22Å; L418-K422 PolarHBondContact O-N 2.86Å; I419-K422 PolarHBondContact O-N 2.96Å; K422-V425 PolarHBondContact O-N 3.33Å; K422-R426 WeakPolarHBondContact O-CB 3.35Å; K422-R426 PolarHBondContact O-N 2.83Å
423E92.9Very high90.2Very high63 Ų6393.4 Ų93.429%0.29445%0.449SS..Hα-helixtrans-70.9-32.8175.8175.757.5-166.600113I419 K420 Q421 R426 K427I419-E423 WeakPolarHBondContact O-CB 3.25Å; I419-E423 PolarHBondContact O-N 3.3Å; K420-E423 PolarHBondContact O-N 3.13Å; Q421-E423 VanDerWaalsContact C-N 3.29Å; Q421-E423 PolarHBondContact O-N 2.99Å; E423-R426 VanDerWaalsContact CD-NH2 3.32Å; E423-R426 IonicContact OE1-CZ 3.93Å; E423-R426 IonicContact OE1-NE 2.67Å; E423-R426 IonicContact OE1-NH2 2.78Å; E423-R426 PolarHBondContact OE1-NH2 3.01Å; E423-R426 IonicContact OE2-CZ 3.43Å; E423-R426 VanDerWaalsContact OE2-CZ 3.31Å; E423-R426 IonicContact OE2-NE 2.66Å; E423-R426 PolarHBondContact OE2-NE 3.05Å; E423-R426 IonicContact OE2-NH2 3.06Å; E423-R426 PolarHBondContact OE2-NH2 2.78Å; E423-K427 WeakPolarHBondContact O-CB 3.45Å; E423-K427 WeakPolarHBondContact O-CG 3.41Å; E423-K427 PolarHBondContact O-N 2.87Å; E423-K427 VanDerWaalsContact O-N 3.13Å; E423-K427 WeakPolarHBondContact OE1-CE 3.43Å; E423-K427 IonicContact OE1-NZ 3.87Å; E423-K427 PolarHBondContact OE1-NZ 2.87Å
424V90.3Very high90.7Very high72 Ų7295.2 Ų95.244%0.43646%0.457SS..Hα-helixtrans-68.4-41.6171.1167.80000111.3K420 Q421 K427 K428K420-V424 WeakPolarHBondContact O-CG2 3.12Å; K420-V424 PolarHBondContact O-N 3.41Å; Q421-V424 PolarHBondContact O-N 2.91Å; Q421-V424 VanDerWaalsContact O-N 3.13Å; V424-K427 PolarHBondContact O-N 3.15Å; V424-K428 WeakPolarHBondContact O-CG 3.08Å; V424-K428 PolarHBondContact O-N 2.8Å; V424-K428 VanDerWaalsContact O-N 3.1Å
425V89.6Confident91Very high76 Ų7697 Ų9746%0.46147%0.465SS..Hα-helixtrans-62.2-53.2174170.10000110Q421 K422 K427 K428 D429Q421-V425 WeakPolarHBondContact O-CG2 3.05Å; Q421-V425 PolarHBondContact O-N 3.08Å; K422-V425 PolarHBondContact O-N 3.33Å; V425-K427 PolarHBondContact O-N 3.1Å; V425-K428 CarbonylContact O-C 3.58Å; V425-K428 WeakPolarHBondContact O-CA 3.27Å; V425-K428 WeakPolarHBondContact O-CB 3.36Å; V425-K428 PolarHBondContact O-N 2.96Å; V425-D429 VanDerWaalsContact CG1-OD2 3.3Å; V425-D429 WeakPolarHBondContact CG1-OD2 3.45Å; V425-D429 PolarHBondContact O-N 3.3Å
426R92.4Very high91.1Very high131 Ų13199.1 Ų99.149%0.49447%0.471SS..Hα-helixtrans-53.1-35.3177-168.4-16868.880.51.3113.4K422 E423 A430K422-R426 WeakPolarHBondContact O-CB 3.35Å; K422-R426 PolarHBondContact O-N 2.83Å; E423-R426 VanDerWaalsContact CD-NH2 3.32Å; E423-R426 IonicContact OE1-CZ 3.93Å; E423-R426 IonicContact OE1-NE 2.67Å; E423-R426 IonicContact OE1-NH2 2.78Å; E423-R426 PolarHBondContact OE1-NH2 3.01Å; E423-R426 IonicContact OE2-CZ 3.43Å; E423-R426 VanDerWaalsContact OE2-CZ 3.31Å; E423-R426 IonicContact OE2-NE 2.66Å; E423-R426 PolarHBondContact OE2-NE 3.05Å; E423-R426 IonicContact OE2-NH2 3.06Å; E423-R426 PolarHBondContact OE2-NH2 2.78Å; R426-A430 WeakPolarHBondContact O-CB 3.4Å; R426-A430 PolarHBondContact O-N 2.92Å
427K93.1Very high91.5Very high119 Ų11997.4 Ų97.452%0.51747%0.466SS..Hα-helixtrans-71.5-39.5174.8-82.5171.2165128.20113E423 V424 V425 A430 H431E423-K427 WeakPolarHBondContact O-CB 3.45Å; E423-K427 WeakPolarHBondContact O-CG 3.41Å; E423-K427 PolarHBondContact O-N 2.87Å; E423-K427 VanDerWaalsContact O-N 3.13Å; E423-K427 WeakPolarHBondContact OE1-CE 3.43Å; E423-K427 IonicContact OE1-NZ 3.87Å; E423-K427 PolarHBondContact OE1-NZ 2.87Å; V424-K427 PolarHBondContact O-N 3.15Å; V425-K427 PolarHBondContact O-N 3.1Å; K427-A430 PolarHBondContact O-N 2.79Å; K427-H431 PolarHBondContact O-N 2.95Å
428K90.6Very high92Very high131 Ų131101.9 Ų101.957%0.5748%0.482SS*.Hα-helixtrans-63.8-46.5171.6-69174.1178.9-1750110.7V424 V425 A430 H431 I432V424-K428 WeakPolarHBondContact O-CG 3.08Å; V424-K428 PolarHBondContact O-N 2.8Å; V424-K428 VanDerWaalsContact O-N 3.1Å; V425-K428 CarbonylContact O-C 3.58Å; V425-K428 WeakPolarHBondContact O-CA 3.27Å; V425-K428 WeakPolarHBondContact O-CB 3.36Å; V425-K428 PolarHBondContact O-N 2.96Å; K428-A430 PolarHBondContact O-N 3.44Å; K428-H431 PolarHBondContact O-N 3.45Å; K428-H431 VanDerWaalsContact O-N 3.11Å; K428-I432 WeakPolarHBondContact O-CB 3.38Å; K428-I432 VanDerWaalsContact O-CG1 3.29Å; K428-I432 WeakPolarHBondContact O-CG1 3.45Å; K428-I432 PolarHBondContact O-N 2.82Å
429D88.4Confident92.2Very high74 Ų74101.6 Ų101.640%0.39648%0.48SS..Hα-helixtrans-65.5-22.9178.8-50.4-23.8000112.9V425 R433V425-D429 VanDerWaalsContact CG1-OD2 3.3Å; V425-D429 WeakPolarHBondContact CG1-OD2 3.45Å; V425-D429 PolarHBondContact O-N 3.3Å; D429-R433 PolarHBondContact O-NE 3.04Å; D429-R433 PolarHBondContact O-NH2 2.88Å
430A93.2Very high92.2Very high40 Ų40101.2 Ų101.233%0.33148%0.479SS..Hα-helixtrans-77.5-45.2170.500000111.8R426 K427 K428 R433 E434R426-A430 WeakPolarHBondContact O-CB 3.4Å; R426-A430 PolarHBondContact O-N 2.92Å; K427-A430 PolarHBondContact O-N 2.79Å; K428-A430 PolarHBondContact O-N 3.44Å; A430-R433 PolarHBondContact O-N 3.01Å; A430-E434 PolarHBondContact O-N 3.24Å
431H91.1Very high92.3Very high80 Ų8099.4 Ų99.437%0.3748%0.475SS..Hα-helixtrans-70.6-31.5179.2-172.451.2000113K427 K428 E434 L435K427-H431 PolarHBondContact O-N 2.95Å; K428-H431 PolarHBondContact O-N 3.45Å; K428-H431 VanDerWaalsContact O-N 3.11Å; H431-E434 IonicContact CE1-OE2 3.91Å; H431-E434 IonicContact CG-OE2 2.7Å; H431-E434 IonicContact ND1-OE2 3.21Å; H431-E434 PolarHBondContact ND1-OE2 2.83Å; H431-E434 WeakPolarHBondContact O-CB 2.85Å; H431-E434 PolarHBondContact O-N 3.24Å; H431-L435 WeakPolarHBondContact O-CG 3.5Å; H431-L435 PolarHBondContact O-N 2.55Å
432I92.7Very high92.5Very high83 Ų8398.9 Ų98.943%0.42647%0.474SS..Hα-helixtrans-59.4-49171.1-72.6164.3000109.7K428 E434 L435 E436K428-I432 WeakPolarHBondContact O-CB 3.38Å; K428-I432 VanDerWaalsContact O-CG1 3.29Å; K428-I432 WeakPolarHBondContact O-CG1 3.45Å; K428-I432 PolarHBondContact O-N 2.82Å; I432-E434 VanDerWaalsContact C-N 3.34Å; I432-E434 PolarHBondContact O-N 2.99Å; I432-L435 CarbonylContact O-C 3.02Å; I432-L435 PolarHBondContact O-N 3Å; I432-L435 VanDerWaalsContact O-N 3.11Å; I432-E436 HydrophobicContact CG2-CG 4.3Å; I432-E436 WeakPolarHBondContact CG2-OE1 3.42Å; I432-E436 VanDerWaalsContact O-CG 3.29Å; I432-E436 WeakPolarHBondContact O-CG 3.28Å; I432-E436 PolarHBondContact O-N 2.85Å
433R94.5Very high92.5Very high150 Ų15095 Ų9557%0.56646%0.461SS*.Hα-helixtrans-65-32.7177.1-75.9176.8-69.5143.61114.1D429 A430 E436 D437D429-R433 PolarHBondContact O-NE 3.04Å; D429-R433 PolarHBondContact O-NH2 2.88Å; A430-R433 PolarHBondContact O-N 3.01Å; R433-E436 WeakPolarHBondContact CA-OE2 3.38Å; R433-E436 WeakPolarHBondContact CG-OE2 3.14Å; R433-D437 VanDerWaalsContact O-CB 3.3Å; R433-D437 WeakPolarHBondContact O-CB 3.41Å; R433-D437 PolarHBondContact O-N 2.91Å
434E95.3Very high92.5Very high126 Ų12695.7 Ų95.759%0.58947%0.469SS*.Hα-helixtrans-65.2-39171.8179.1-176.9-150.300111.8A430 H431 I432 Y438A430-E434 PolarHBondContact O-N 3.24Å; H431-E434 IonicContact CE1-OE2 3.91Å; H431-E434 IonicContact CG-OE2 2.7Å; H431-E434 IonicContact ND1-OE2 3.21Å; H431-E434 PolarHBondContact ND1-OE2 2.83Å; H431-E434 WeakPolarHBondContact O-CB 2.85Å; H431-E434 PolarHBondContact O-N 3.24Å; I432-E434 VanDerWaalsContact C-N 3.34Å; I432-E434 PolarHBondContact O-N 2.99Å; E434-Y438 WeakPolarHBondContact O-CB 3.39Å; E434-Y438 PolarHBondContact O-N 3.31Å
435L94.6Very high92.4Very high83 Ų8398.2 Ų98.244%0.43547%0.471SS..Hα-helixtrans-74.7-35.8175.6-68.4173.3000112.6H431 I432 Y438 I439H431-L435 WeakPolarHBondContact O-CG 3.5Å; H431-L435 PolarHBondContact O-N 2.55Å; I432-L435 CarbonylContact O-C 3.02Å; I432-L435 PolarHBondContact O-N 3Å; I432-L435 VanDerWaalsContact O-N 3.11Å; L435-Y438 PolarHBondContact O-N 2.78Å; L435-I439 WeakPolarHBondContact O-CB 3.1Å; L435-I439 WeakPolarHBondContact O-CD1 3.37Å; L435-I439 WeakPolarHBondContact O-CG1 3.49Å; L435-I439 PolarHBondContact O-N 2.94Å
436E91.4Very high92.4Very high102 Ų10296 Ų9648%0.47746%0.457SS..Hα-helixtrans-62.4-51.8172.7-71.6165.7157.600110.3I432 R433 Y438 I439 D440I432-E436 HydrophobicContact CG2-CG 4.3Å; I432-E436 WeakPolarHBondContact CG2-OE1 3.42Å; I432-E436 VanDerWaalsContact O-CG 3.29Å; I432-E436 WeakPolarHBondContact O-CG 3.28Å; I432-E436 PolarHBondContact O-N 2.85Å; R433-E436 WeakPolarHBondContact CA-OE2 3.38Å; R433-E436 WeakPolarHBondContact CG-OE2 3.14Å; E436-Y438 VanDerWaalsContact C-N 3.33Å; E436-Y438 PolarHBondContact O-N 3.11Å; E436-I439 PolarHBondContact O-N 2.87Å; E436-I439 VanDerWaalsContact O-N 3.08Å; E436-D440 PolarHBondContact O-N 3.22Å
437D95.9Very high92.2Very high100 Ų10095.2 Ų95.254%0.53546%0.461SS..Hα-helixtrans-59.7-39.7175.1-179.975.3000112.2R433 D440 N441R433-D437 VanDerWaalsContact O-CB 3.3Å; R433-D437 WeakPolarHBondContact O-CB 3.41Å; R433-D437 PolarHBondContact O-N 2.91Å; D437-D440 PolarHBondContact O-N 2.83Å; D437-N441 WeakPolarHBondContact O-CB 3.22Å; D437-N441 PolarHBondContact O-N 3.44Å; D437-N441 PolarHBondContact O-ND2 3.26Å; D437-N441 PolarHBondContact OD1-ND2 3.18Å; D437-N441 VanDerWaalsContact OD1-ND2 3.1Å; D437-N441 PolarHBondContact OD2-ND2 3.24Å; D437-N441 VanDerWaalsContact OD2-ND2 3.16Å
438Y94.4Very high91.9Very high145 Ų14596.7 Ų96.757%0.56947%0.469SS*.Hα-helixtrans-63.2-40.7173.3177.2-96.1000112.8E434 L435 E436 L442E434-Y438 WeakPolarHBondContact O-CB 3.39Å; E434-Y438 PolarHBondContact O-N 3.31Å; L435-Y438 PolarHBondContact O-N 2.78Å; E436-Y438 VanDerWaalsContact C-N 3.33Å; E436-Y438 PolarHBondContact O-N 3.11Å; Y438-L442 HydrophobicContact CE1-CD2 4.1Å; Y438-L442 WeakPolarHBondContact O-CB 3.46Å; Y438-L442 PolarHBondContact O-N 2.89Å
439I93.3Very high91.7Very high104 Ų10497 Ų9753%0.53347%0.472SS..Hα-helixtrans-65.6-44.7176.8-73.7163.9000110.4L435 E436 L442 L443L435-I439 WeakPolarHBondContact O-CB 3.1Å; L435-I439 WeakPolarHBondContact O-CD1 3.37Å; L435-I439 WeakPolarHBondContact O-CG1 3.49Å; L435-I439 PolarHBondContact O-N 2.94Å; E436-I439 PolarHBondContact O-N 2.87Å; E436-I439 VanDerWaalsContact O-N 3.08Å; I439-L442 PolarHBondContact O-N 2.8Å; I439-L443 VanDerWaalsContact O-CB 3.25Å; I439-L443 WeakPolarHBondContact O-CB 3.17Å; I439-L443 PolarHBondContact O-N 3.45Å
440D92.8Very high91.4Very high96 Ų9696.8 Ų96.851%0.51347%0.474SS..Hα-helixtrans-66.8-45.4-180-74.9-16.9000111.6E436 D437 L442 L443 V444E436-D440 PolarHBondContact O-N 3.22Å; D437-D440 PolarHBondContact O-N 2.83Å; D440-L442 VanDerWaalsContact C-N 3.3Å; D440-L442 PolarHBondContact O-N 3.1Å; D440-L443 PolarHBondContact O-N 2.84Å; D440-L443 VanDerWaalsContact O-N 3.16Å; D440-V444 WeakPolarHBondContact O-CG2 3.45Å; D440-V444 PolarHBondContact O-N 3.38Å
441N92.7Very high90.9Very high81 Ų8197.3 Ų97.343%0.43347%0.474SS..Hα-helixtrans-62.3-35.6174.4-80.4-76.5000112.7D437 R445D437-N441 WeakPolarHBondContact O-CB 3.22Å; D437-N441 PolarHBondContact O-N 3.44Å; D437-N441 PolarHBondContact O-ND2 3.26Å; D437-N441 PolarHBondContact OD1-ND2 3.18Å; D437-N441 VanDerWaalsContact OD1-ND2 3.1Å; D437-N441 PolarHBondContact OD2-ND2 3.24Å; D437-N441 VanDerWaalsContact OD2-ND2 3.16Å; N441-R445 PolarHBondContact O-N 3.43Å
442L92.9Very high90.1Very high69 Ų6997.3 Ų97.336%0.36148%0.483SS..Hα-helixtrans-70.8-39.3173.518060.5000111.5Y438 I439 D440 R445 V446Y438-L442 HydrophobicContact CE1-CD2 4.1Å; Y438-L442 WeakPolarHBondContact O-CB 3.46Å; Y438-L442 PolarHBondContact O-N 2.89Å; I439-L442 PolarHBondContact O-N 2.8Å; D440-L442 VanDerWaalsContact C-N 3.3Å; D440-L442 PolarHBondContact O-N 3.1Å; L442-R445 PolarHBondContact O-N 3.08Å; L442-V446 HydrophobicContact CD1-CG2 4.3Å; L442-V446 HydrophobicContact CG-CG2 4.5Å; L442-V446 WeakPolarHBondContact O-CB 3.4Å; L442-V446 VanDerWaalsContact O-CG2 3.27Å; L442-V446 WeakPolarHBondContact O-CG2 3.49Å; L442-V446 PolarHBondContact O-N 2.8Å
443L90.8Very high89.3Confident70 Ų7098.8 Ų98.837%0.36649%0.491SS..Hα-helixtrans-65.4-42.9178.7-177.163.9000111.4I439 D440 V446 M447 L454I439-L443 VanDerWaalsContact O-CB 3.25Å; I439-L443 WeakPolarHBondContact O-CB 3.17Å; I439-L443 PolarHBondContact O-N 3.45Å; D440-L443 PolarHBondContact O-N 2.84Å; D440-L443 VanDerWaalsContact O-N 3.16Å; L443-V446 PolarHBondContact O-N 2.78Å; L443-M447 HydrophobicContact CG-SD 4.17Å; L443-M447 WeakPolarHBondContact O-CB 3.42Å; L443-M447 VanDerWaalsContact O-CG 3.3Å; L443-M447 WeakPolarHBondContact O-CG 3.36Å; L443-M447 PolarHBondContact O-N 2.91Å; L443-L454 HydrophobicContact CD1-CD1 3.71Å; L443-L454 HydrophobicContact CD1-CD2 3.75Å; L443-L454 HydrophobicContact CD1-CG 4.39Å
444V91.9Very high88.4Confident77 Ų7796 Ų9647%0.46749%0.487SS..Hα-helixtrans-56.3-53.7172.4169.50000110.3D440 V446 M447 E448D440-V444 WeakPolarHBondContact O-CG2 3.45Å; D440-V444 PolarHBondContact O-N 3.38Å; V444-V446 VanDerWaalsContact C-N 3.28Å; V444-V446 PolarHBondContact O-N 2.93Å; V444-M447 WeakPolarHBondContact O-CA 3.45Å; V444-M447 WeakPolarHBondContact O-CB 3.4Å; V444-M447 PolarHBondContact O-N 3.42Å; V444-E448 WeakPolarHBondContact O-CG 3.18Å; V444-E448 PolarHBondContact O-N 3.46Å
445R88.8Confident87.2Confident126 Ų12699.6 Ų99.648%0.47550%0.495SS..Hα-helixtrans-59.9-37.5178.7-168.2-178.8-53.8134.813.5112.6N441 L442 E448 E449N441-R445 PolarHBondContact O-N 3.43Å; L442-R445 PolarHBondContact O-N 3.08Å; R445-E448 PolarHBondContact O-N 3.04Å; R445-E449 VanDerWaalsContact CD-OE1 3.3Å; R445-E449 WeakPolarHBondContact CD-OE1 3.24Å; R445-E449 HydrophobicContact CG-CG 4.07Å; R445-E449 WeakPolarHBondContact CG-OE1 3.29Å; R445-E449 WeakPolarHBondContact O-CB 3.18Å; R445-E449 WeakPolarHBondContact O-CG 3.25Å; R445-E449 PolarHBondContact O-N 2.57Å
446V90.9Very high85.8Confident30 Ų30100.7 Ų100.718%0.18251%0.505CS..Hα-helixtrans-68.1-36.3175.2165.10000112L442 L443 V444 E448 T450 P451 I453 L454L442-V446 HydrophobicContact CD1-CG2 4.3Å; L442-V446 HydrophobicContact CG-CG2 4.5Å; L442-V446 WeakPolarHBondContact O-CB 3.4Å; L442-V446 VanDerWaalsContact O-CG2 3.27Å; L442-V446 WeakPolarHBondContact O-CG2 3.49Å; L442-V446 PolarHBondContact O-N 2.8Å; L443-V446 PolarHBondContact O-N 2.78Å; V444-V446 VanDerWaalsContact C-N 3.28Å; V444-V446 PolarHBondContact O-N 2.93Å; V446-E448 VanDerWaalsContact C-N 3.33Å; V446-T450 CarbonylContact O-C 3.56Å; V446-T450 WeakPolarHBondContact O-CA 3.5Å; V446-T450 PolarHBondContact O-N 2.84Å; V446-P451 VanDerWaalsContact O-N 3.11Å; V446-I453 HydrophobicContact CG1-CG2 3.29Å; V446-L454 HydrophobicContact CG1-CD1 4.05Å; V446-L454 HydrophobicContact CG1-CD2 4.12Å; V446-L454 HydrophobicContact CG1-CG 3.89Å
447M86.2Confident84.4Confident114 Ų114100.5 Ų100.556%0.56251%0.513SS*.Hα-helixtrans-68.3-32174.3-74.6174.957.700112.5L443 V444 L454L443-M447 HydrophobicContact CG-SD 4.17Å; L443-M447 WeakPolarHBondContact O-CB 3.42Å; L443-M447 VanDerWaalsContact O-CG 3.3Å; L443-M447 WeakPolarHBondContact O-CG 3.36Å; L443-M447 PolarHBondContact O-N 2.91Å; V444-M447 WeakPolarHBondContact O-CA 3.45Å; V444-M447 WeakPolarHBondContact O-CB 3.4Å; V444-M447 PolarHBondContact O-N 3.42Å; M447-L454 HydrophobicContact CG-CD1 3.43Å; M447-L454 VanDerWaalsContact CG-CD1 3.43Å; M447-L454 HydrophobicContact SD-CD1 4.41Å
448E87.1Confident82.3Confident149 Ų149105.7 Ų105.770%0.69653%0.526SS*.Hα-helixtrans-78.5-51.9176.1-68.3174157.800112.4V444 R445 V446V444-E448 WeakPolarHBondContact O-CG 3.18Å; V444-E448 PolarHBondContact O-N 3.46Å; R445-E448 PolarHBondContact O-N 3.04Å; V446-E448 VanDerWaalsContact C-N 3.33Å
449E87.7Confident80.4Confident137 Ų137104 Ų10464%0.6453%0.531SS*.Hα-helixtrans-82.3-45.6-173.5-66.5178.1-174.200113.5R445R445-E449 VanDerWaalsContact CD-OE1 3.3Å; R445-E449 WeakPolarHBondContact CD-OE1 3.24Å; R445-E449 HydrophobicContact CG-CG 4.07Å; R445-E449 WeakPolarHBondContact CG-OE1 3.29Å; R445-E449 WeakPolarHBondContact O-CB 3.18Å; R445-E449 WeakPolarHBondContact O-CG 3.25Å; R445-E449 PolarHBondContact O-N 2.57Å
450T82.2Confident78.4Confident70 Ų70102.9 Ų102.943%0.42953%0.53SS..  trans-145.157.7-168.847.90000114.2V446 S452 I453V446-T450 CarbonylContact O-C 3.56Å; V446-T450 WeakPolarHBondContact O-CA 3.5Å; V446-T450 PolarHBondContact O-N 2.84Å; T450-S452 PolarHBondContact O-N 3.3Å; T450-I453 WeakPolarHBondContact O-CG2 3.35Å; T450-I453 PolarHBondContact O-N 3.29Å; T450-I453 VanDerWaalsContact O-N 3.13Å
451P81.1Confident76.4Confident52 Ų52108 Ų10834%0.33855%0.548SS..THydrogen-bonded Turntrans-62.3-6.1-176.324.1-34.8000115.2V446 I453 R455V446-P451 VanDerWaalsContact O-N 3.11Å; P451-I453 VanDerWaalsContact C-N 3.35Å; P451-R455 WeakPolarHBondContact O-CG 3.29Å
452S75Confident74.3Confident80 Ų80113.9 Ų113.956%0.55957%0.57SS**THydrogen-bonded Turntrans-66.8-29.9172.453.20000113.6T450 L454 R455 T456T450-S452 PolarHBondContact O-N 3.3Å; S452-L454 VanDerWaalsContact C-N 3.3Å; S452-L454 PolarHBondContact O-N 3.32Å; S452-R455 PolarHBondContact O-N 2.66Å; S452-R455 VanDerWaalsContact O-N 3.16Å; S452-T456 PolarHBondContact O-OG1 2.69Å; S452-T456 VanDerWaalsContact O-OG1 3.12Å
453I76.9Confident72.3Confident113 Ų113119.5 Ų119.558%0.57959%0.591SS**THydrogen-bonded Turntrans-66.2-35.1-179.8-161171.7000111.7V446 T450 P451 R455V446-I453 HydrophobicContact CG1-CG2 3.29Å; T450-I453 WeakPolarHBondContact O-CG2 3.35Å; T450-I453 PolarHBondContact O-N 3.29Å; T450-I453 VanDerWaalsContact O-N 3.13Å; P451-I453 VanDerWaalsContact C-N 3.35Å; I453-R455 VanDerWaalsContact C-N 3.33Å
454L73.8Confident70.2Confident92 Ų92120.9 Ų120.948%0.48261%0.613SS.*THydrogen-bonded Turntrans-76-19.8176.2-56.4176.5000113.1L443 V446 M447 S452L443-L454 HydrophobicContact CD1-CD1 3.71Å; L443-L454 HydrophobicContact CD1-CD2 3.75Å; L443-L454 HydrophobicContact CD1-CG 4.39Å; V446-L454 HydrophobicContact CG1-CD1 4.05Å; V446-L454 HydrophobicContact CG1-CD2 4.12Å; V446-L454 HydrophobicContact CG1-CG 3.89Å; M447-L454 HydrophobicContact CG-CD1 3.43Å; M447-L454 VanDerWaalsContact CG-CD1 3.43Å; M447-L454 HydrophobicContact SD-CD1 4.41Å; S452-L454 VanDerWaalsContact C-N 3.3Å; S452-L454 PolarHBondContact O-N 3.32Å
455R72Confident67.8Low202 Ų202120.8 Ų120.876%0.76263%0.628SS**THydrogen-bonded Turntrans-90.7-2-178-72.9177.1175.1-177.10.2114.2P451 S452 I453 P457P451-R455 WeakPolarHBondContact O-CG 3.29Å; S452-R455 PolarHBondContact O-N 2.66Å; S452-R455 VanDerWaalsContact O-N 3.16Å; I453-R455 VanDerWaalsContact C-N 3.33Å; R455-P457 WeakPolarHBondContact O-CD 3.34Å
456T64.6Low65.7Low106 Ų106124.8 Ų124.865%0.6565%0.648SS**  trans-91.8104.1-176-57.80000110.5S452S452-T456 PolarHBondContact O-OG1 2.69Å; S452-T456 VanDerWaalsContact O-OG1 3.12Å
457P61.1Low63.6Low97 Ų97131.8 Ų131.863%0.6368%0.684SS**  trans-62.3141.5170.227.9-34.7000109.5R455 V459R455-P457 WeakPolarHBondContact O-CD 3.34Å; P457-V459 HydrophobicContact CG-CG2 4.45Å; P457-V459 PolarHBondContact O-N 3.11Å
458Y52.4Low61.4Low210 Ų210131.9 Ų131.982%0.82470%0.696SS**  trans-67.491.4178177.5-101.7000110.9P460Y458-P460 HydrophobicContact CE1-CB 4.38Å; Y458-P460 WeakPolarHBondContact O-CD 3.32Å
459V54.4Low59.3Low109 Ų109134.5 Ų134.566%0.66171%0.705SS**  trans-90.9110.7171.8-178.50000108.3P457 K461P457-V459 HydrophobicContact CG-CG2 4.45Å; P457-V459 PolarHBondContact O-N 3.11Å; V459-K461 PolarHBondContact O-N 3.38Å
460P51.4Low57.1Low81 Ų81137.6 Ų137.653%0.52672%0.716SS.*  trans-61.9125.6176.824.6-33.1000110Y458 K462Y458-P460 HydrophobicContact CE1-CB 4.38Å; Y458-P460 WeakPolarHBondContact O-CD 3.32Å; P460-K462 PolarHBondContact O-N 2.7Å
461K49.8Very low55.5Low204 Ų204143.9 Ų143.989%0.88774%0.737SS**  trans-63.496.1-171.5-67.9-176.6179.1178.90111.9V459 K463V459-K461 PolarHBondContact O-N 3.38Å; K461-K463 PolarHBondContact O-N 3.06Å
462K49.8Very low53.8Low204 Ų204152.3 Ų152.389%0.88778%0.78SS**PPolyproline II helixtrans-60.1124.5165.9-69.3-176.4178.6178.60108.6P460P460-K462 PolarHBondContact O-N 2.7Å
463K49.7Very low52.7Low186 Ų186155.9 Ų155.981%0.80979%0.791SS**PPolyproline II helixtrans-62.6137.5-174.6-64.5173.8-177.5171.10110.1K461 G465K461-K463 PolarHBondContact O-N 3.06Å; K463-G465 PolarHBondContact O-N 2.92Å
464A46.8Very low51.4Low100 Ų100158.2 Ų158.283%0.82680%0.802SS**PPolyproline II helixtrans-61.9132.1-179.300000111.7
465G41.4Very low50.2Low75 Ų75161.8 Ų161.877%0.77382%0.819SS**PPolyproline II helixtrans-69.7134.2175.400000111.4K463 L467K463-G465 PolarHBondContact O-N 2.92Å; G465-L467 PolarHBondContact O-N 3.19Å
466K45.8Very low48.9Very low209 Ų209159.5 Ų159.591%0.90982%0.823SS**PPolyproline II helixtrans-74122.1171.9-76.7-175.7173.7-177.20109.9S468K466-S468 PolarHBondContact O-N 3.32Å
467L45.7Very low47.9Very low178 Ų178162.8 Ų162.893%0.93283%0.834SS**  trans-63.4115.3166.3-74.1160.7000109.7G465G465-L467 PolarHBondContact O-N 3.19Å
468S41.2Very low47.1Very low116 Ų116167.2 Ų167.281%0.81185%0.847SS**PPolyproline II helixtrans-80.7120.7166.141.70000109.4K466 K470K466-S468 PolarHBondContact O-N 3.32Å; S468-K470 PolarHBondContact O-N 3.01Å
469K43.4Very low46.7Very low204 Ų204164.1 Ų164.189%0.88785%0.849SS**PPolyproline II helixtrans-64.6131168.8-77.5-174.7173.1-1770109
470K41.5Very low46.1Very low201 Ų201168.4 Ų168.487%0.87486%0.863SS**PPolyproline II helixtrans-60.1139.8153.8-78.3-175.7172.6-176.80108.4S468S468-K470 PolarHBondContact O-N 3.01Å
471K48Very low45.6Very low202 Ų202175.7 Ų175.788%0.87889%0.891SS**PPolyproline II helixtrans-99.6147.4149.8-101.9-170.9169.5-169.10107.3
472N44.7Very low45.3Very low229 Ų229173.1 Ų173.1100%1.22589%0.892SS**  trans-77.90159.8-59.8-5.2000108.8

Retrieved 472 of 472 residues in 157.1 ms (Link to these results)