A0A3Q0KKS4_SCHMA Loading...

Guanylate cyclase

AlphaFold DB (A0A3Q0KKW9), UniProt , Accession A0A3Q0KKS4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 845 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
1M49.8Very low56.1Low217 Ų217114.9 Ų114.9100%1.06961%0.61SS**  0-54.90-73.2-176.9172.100114N3 V4M1-N3 VanDerWaalsContact C-N 3.3Å; M1-N3 PolarHBondContact O-N 3.36Å; M1-N3 VanDerWaalsContact O-N 3.11Å; M1-V4 PolarHBondContact O-N 3.37Å
2K51.7Low55.8Low191 Ų191112.9 Ų112.983%0.8361%0.606SS**Hα-helixtrans-50.3-39-175.6-72.7-174.6176.3-179.70115.8V4 A5 L6K2-V4 VanDerWaalsContact C-N 3.34Å; K2-V4 PolarHBondContact O-N 3.35Å; K2-A5 PolarHBondContact O-N 3.42Å; K2-L6 PolarHBondContact O-N 3.31Å
3N53.2Low55Low131 Ų131116.7 Ų116.770%0.70161%0.608SS**Hα-helixtrans-68-28.4-179.4-6511.5000114M1 L6 I7M1-N3 VanDerWaalsContact C-N 3.3Å; M1-N3 PolarHBondContact O-N 3.36Å; M1-N3 VanDerWaalsContact O-N 3.11Å; N3-L6 PolarHBondContact O-N 3.23Å; N3-I7 WeakPolarHBondContact O-CG1 3.4Å; N3-I7 PolarHBondContact O-N 3.39Å
4V61.8Low53.8Low99 Ų99119.9 Ų119.960%0.662%0.618SS**Hα-helixtrans-67.8-44.1179.2-178.10000109.9M1 K2 L6 I7 S8M1-V4 PolarHBondContact O-N 3.37Å; K2-V4 VanDerWaalsContact C-N 3.34Å; K2-V4 PolarHBondContact O-N 3.35Å; V4-L6 VanDerWaalsContact C-N 3.29Å; V4-L6 PolarHBondContact O-N 2.81Å; V4-I7 PolarHBondContact O-N 3.45Å; V4-S8 PolarHBondContact O-N 2.91Å; V4-S8 PolarHBondContact O-OG 3.14Å; V4-S8 VanDerWaalsContact O-OG 3.11Å
5A58.3Low52.4Low54 Ų54118.5 Ų118.545%0.44662%0.617SS.*Hα-helixtrans-61.2-36.1177.600000112.8K2 S8 I9K2-A5 PolarHBondContact O-N 3.42Å; A5-S8 PolarHBondContact O-N 3.23Å; A5-I9 VanDerWaalsContact O-CG1 3.26Å; A5-I9 WeakPolarHBondContact O-CG1 3.41Å; A5-I9 PolarHBondContact O-N 3.45Å
6L57.5Low51.4Low112 Ų112117.5 Ų117.559%0.58661%0.611SS**Hα-helixtrans-67.8-42.2176.8-157.781.8000111.7K2 N3 V4 I9 I10K2-L6 PolarHBondContact O-N 3.31Å; N3-L6 PolarHBondContact O-N 3.23Å; V4-L6 VanDerWaalsContact C-N 3.29Å; V4-L6 PolarHBondContact O-N 2.81Å; L6-I9 PolarHBondContact O-N 3.08Å; L6-I10 HydrophobicContact CD2-CD1 4.43Å; L6-I10 HydrophobicContact CG-CD1 4.28Å; L6-I10 WeakPolarHBondContact O-CG1 3.5Å; L6-I10 PolarHBondContact O-N 3.03Å
7I61.4Low50.3Low104 Ų104115.7 Ų115.753%0.53361%0.607SS.*Hα-helixtrans-64.3-42.3175.4-65.6166.2000110.4N3 V4 I9 I10 L11N3-I7 WeakPolarHBondContact O-CG1 3.4Å; N3-I7 PolarHBondContact O-N 3.39Å; V4-I7 PolarHBondContact O-N 3.45Å; I7-I9 PolarHBondContact O-N 3.34Å; I7-I10 PolarHBondContact O-N 2.68Å; I7-L11 HydrophobicContact CG2-CD1 3.9Å; I7-L11 HydrophobicContact CG2-CG 4.44Å; I7-L11 WeakPolarHBondContact O-CB 3.37Å; I7-L11 WeakPolarHBondContact O-CG 3.48Å; I7-L11 PolarHBondContact O-N 3.3Å
8S57.3Low49.1Very low60 Ų60114.9 Ų114.942%0.4261%0.611SS.*Hα-helixtrans-60.9-40.9174.1-59.40000112.4V4 A5 V12V4-S8 PolarHBondContact O-N 2.91Å; V4-S8 PolarHBondContact O-OG 3.14Å; V4-S8 VanDerWaalsContact O-OG 3.11Å; A5-S8 PolarHBondContact O-N 3.23Å; S8-V12 WeakPolarHBondContact O-CB 3.5Å; S8-V12 WeakPolarHBondContact O-CG2 3.33Å; S8-V12 PolarHBondContact O-N 3.39Å
9I59.3Low47.9Very low93 Ų93112.7 Ų112.748%0.47760%0.6SS.*Hα-helixtrans-67.2-42.8176.5-69.6164.7000110.8A5 L6 I7 V12 Y13A5-I9 VanDerWaalsContact O-CG1 3.26Å; A5-I9 WeakPolarHBondContact O-CG1 3.41Å; A5-I9 PolarHBondContact O-N 3.45Å; L6-I9 PolarHBondContact O-N 3.08Å; I7-I9 PolarHBondContact O-N 3.34Å; I9-V12 PolarHBondContact O-N 3.47Å; I9-Y13 HydrophobicContact CG2-CD2 3.82Å; I9-Y13 HydrophobicContact CG2-CE2 4.07Å; I9-Y13 WeakPolarHBondContact O-CB 3.32Å; I9-Y13 WeakPolarHBondContact O-CD2 3.14Å; I9-Y13 PolarHBondContact O-N 2.91Å
10I55.5Low47.3Very low94 Ų94111 Ų11148%0.48259%0.593SS.*Hα-helixtrans-64.3-41.5177.5-67.8164.9000111L6 I7 Y13 H14L6-I10 HydrophobicContact CD2-CD1 4.43Å; L6-I10 HydrophobicContact CG-CD1 4.28Å; L6-I10 WeakPolarHBondContact O-CG1 3.5Å; L6-I10 PolarHBondContact O-N 3.03Å; I7-I10 PolarHBondContact O-N 2.68Å; I10-Y13 PolarHBondContact O-N 3.44Å; I10-H14 PolarHBondContact O-N 2.93Å
11L51.7Low46.7Very low109 Ų109109.7 Ų109.757%0.57158%0.583SS**Hα-helixtrans-63.2-44.7173.1-76.6167.9000111.5I7 Y13 H14 T15I7-L11 HydrophobicContact CG2-CD1 3.9Å; I7-L11 HydrophobicContact CG2-CG 4.44Å; I7-L11 WeakPolarHBondContact O-CB 3.37Å; I7-L11 WeakPolarHBondContact O-CG 3.48Å; I7-L11 PolarHBondContact O-N 3.3Å; L11-Y13 VanDerWaalsContact C-N 3.32Å; L11-Y13 PolarHBondContact O-N 3.14Å; L11-H14 CarbonylContact O-C 3.36Å; L11-H14 PolarHBondContact O-N 3.08Å; L11-T15 WeakPolarHBondContact O-CG2 3.47Å; L11-T15 PolarHBondContact O-N 3.12Å; L11-T15 PolarHBondContact O-OG1 3.36Å
12V52.1Low46.5Very low91 Ų91101.1 Ų101.155%0.55255%0.546SS*.Hα-helixtrans-61.9-39.8177.2167.60000111.6S8 I9 T15 I16S8-V12 WeakPolarHBondContact O-CB 3.5Å; S8-V12 WeakPolarHBondContact O-CG2 3.33Å; S8-V12 PolarHBondContact O-N 3.39Å; I9-V12 PolarHBondContact O-N 3.47Å; V12-T15 VanDerWaalsContact CA-OG1 3.27Å; V12-T15 WeakPolarHBondContact CA-OG1 3.39Å; V12-T15 CarbonylContact O-C 3.57Å; V12-T15 PolarHBondContact O-N 2.99Å; V12-T15 PolarHBondContact O-OG1 3.3Å; V12-I16 PolarHBondContact O-N 3.28Å; V12-I16 VanDerWaalsContact O-N 3.15Å
13Y45.6Very low46.8Very low162 Ų16295 Ų9564%0.63552%0.523SS*.Hα-helixtrans-71.1-32174.9-91.6-93.4000113.2I9 I10 L11 I16I9-Y13 HydrophobicContact CG2-CD2 3.82Å; I9-Y13 HydrophobicContact CG2-CE2 4.07Å; I9-Y13 WeakPolarHBondContact O-CB 3.32Å; I9-Y13 WeakPolarHBondContact O-CD2 3.14Å; I9-Y13 PolarHBondContact O-N 2.91Å; I10-Y13 PolarHBondContact O-N 3.44Å; L11-Y13 VanDerWaalsContact C-N 3.32Å; L11-Y13 PolarHBondContact O-N 3.14Å; Y13-I16 HydrophobicContact CD1-CD1 3.46Å; Y13-I16 VanDerWaalsContact CD1-CD1 3.46Å; Y13-I16 HydrophobicContact CE1-CD1 3.78Å; Y13-I16 HydrophobicContact CG-CD1 4.03Å; Y13-I16 WeakPolarHBondContact O-CB 2.96Å; Y13-I16 PolarHBondContact O-N 3.39Å
14H37.6Very low47.2Very low162 Ų16291.7 Ų91.775%0.7551%0.505SS*.Hα-helixtrans-73.2-27169.6-100.6-63.9000113I10 L11 I16I10-H14 PolarHBondContact O-N 2.93Å; L11-H14 CarbonylContact O-C 3.36Å; L11-H14 PolarHBondContact O-N 3.08Å; H14-I16 PolarHBondContact O-N 3.46Å
15T33.7Very low47.5Very low99 Ų9988.1 Ų88.161%0.60748%0.481SS*.THydrogen-bonded Turntrans-82.811.4166.560.10000113.4L11 V12 T17L11-T15 WeakPolarHBondContact O-CG2 3.47Å; L11-T15 PolarHBondContact O-N 3.12Å; L11-T15 PolarHBondContact O-OG1 3.36Å; V12-T15 VanDerWaalsContact CA-OG1 3.27Å; V12-T15 WeakPolarHBondContact CA-OG1 3.39Å; V12-T15 CarbonylContact O-C 3.57Å; V12-T15 PolarHBondContact O-N 2.99Å; V12-T15 PolarHBondContact O-OG1 3.3Å; T15-T17 PolarHBondContact O-N 3.28Å
16I36.2Very low48.1Very low102 Ų10285.5 Ų85.552%0.52346%0.459SS..SBendtrans-72.971.5152.2-57.5173.7000106.5V12 Y13 H14 C18V12-I16 PolarHBondContact O-N 3.28Å; V12-I16 VanDerWaalsContact O-N 3.15Å; Y13-I16 HydrophobicContact CD1-CD1 3.46Å; Y13-I16 VanDerWaalsContact CD1-CD1 3.46Å; Y13-I16 HydrophobicContact CE1-CD1 3.78Å; Y13-I16 HydrophobicContact CG-CD1 4.03Å; Y13-I16 WeakPolarHBondContact O-CB 2.96Å; Y13-I16 PolarHBondContact O-N 3.39Å; H14-I16 PolarHBondContact O-N 3.46Å; I16-C18 PolarHBondContact O-N 2.95Å
17T32.7Very low48.9Very low87 Ų8780.3 Ų80.353%0.53443%0.432SS..  trans12.484.914639.70000114.2T15 N19T15-T17 PolarHBondContact O-N 3.28Å; T17-N19 WeakPolarHBondContact CB-OD1 3.48Å; T17-N19 PolarHBondContact O-N 3.24Å
18C27.8Very low49.4Very low102 Ų10275.9 Ų75.969%0.68941%0.41SS*.  trans-61.175.7143.7-74.50000107.6I16 V20 L355I16-C18 PolarHBondContact O-N 2.95Å; C18-V20 PolarHBondContact O-N 2.97Å; C18-L355 WeakPolarHBondContact O-CD2 3.42Å
19N26.4Very low50.1Low73 Ų7373.2 Ų73.239%0.3939%0.391SS..  trans-65.394.5164.6-73-13000105.9T17 F21T17-N19 WeakPolarHBondContact CB-OD1 3.48Å; T17-N19 PolarHBondContact O-N 3.24Å; N19-F21 HydrophobicContact CB-CD1 4.16Å; N19-F21 HydrophobicContact CB-CE1 3.49Å; N19-F21 VanDerWaalsContact CB-CE1 3.49Å; N19-F21 HydrophobicContact CB-CE2 4.05Å; N19-F21 HydrophobicContact CB-CZ 3.45Å; N19-F21 VanDerWaalsContact CB-CZ 3.45Å; N19-F21 WeakPolarHBondContact O-CD2 3.32Å; N19-F21 WeakPolarHBondContact O-CE2 3.39Å; N19-F21 PolarHBondContact O-N 3.06Å
20V35.9Very low50.6Low77 Ų7771 Ų7147%0.46738%0.383SS..  trans-71.295.5167.7-1750000105.5C18 A22 L355C18-V20 PolarHBondContact O-N 2.97Å; V20-A22 PolarHBondContact O-N 2.97Å; V20-L355 HydrophobicContact CB-CD1 3.57Å; V20-L355 HydrophobicContact CG2-CD1 3.77Å; V20-L355 HydrophobicContact CG2-CD2 4.36Å
21F35.3Very low51Low85 Ų8570.3 Ų70.337%0.37338%0.377SS..  trans-67.2119.4170.9-53.3-65.3000107N19 N23 N77N19-F21 HydrophobicContact CB-CD1 4.16Å; N19-F21 HydrophobicContact CB-CE1 3.49Å; N19-F21 VanDerWaalsContact CB-CE1 3.49Å; N19-F21 HydrophobicContact CB-CE2 4.05Å; N19-F21 HydrophobicContact CB-CZ 3.45Å; N19-F21 VanDerWaalsContact CB-CZ 3.45Å; N19-F21 WeakPolarHBondContact O-CD2 3.32Å; N19-F21 WeakPolarHBondContact O-CE2 3.39Å; N19-F21 PolarHBondContact O-N 3.06Å; F21-N23 PolarHBondContact O-N 2.67Å; F21-N77 WeakPolarHBondContact CD1-OD1 3.5Å; F21-N77 WeakPolarHBondContact CE1-OD1 3.49Å; F21-N77 WeakPolarHBondContact CZ-OD1 3.49Å
22A46Very low51.6Low37 Ų3767.5 Ų67.531%0.30636%0.363SS..  trans-46.6122.5148.500000105.8V20 N24 V59V20-A22 PolarHBondContact O-N 2.97Å; A22-N24 VanDerWaalsContact C-N 3.26Å; A22-N24 PolarHBondContact O-N 3.13Å; A22-N24 PolarHBondContact O-ND2 2.91Å; A22-V59 HydrophobicContact CB-CG2 4.47Å
23N56.8Low52.2Low63 Ų6369.4 Ų69.434%0.33736%0.364SS..EExtended strand (participates in β ladder)trans-65.497.3-175.5-74.9-50.6000107.1F21 Y25 V59F21-N23 PolarHBondContact O-N 2.67Å; N23-Y25 HydrophobicContact CB-CD2 3.99Å; N23-Y25 HydrophobicContact CB-CE2 3.32Å; N23-Y25 WeakPolarHBondContact O-CD2 3.45Å; N23-Y25 PolarHBondContact O-N 3.21Å; N23-Y25 VanDerWaalsContact O-N 3.15Å; N23-V59 PolarHBondContact O-N 3.41Å
24N61.5Low53Low60 Ų6064 Ų6432%0.32135%0.345SS..EExtended strand (participates in β ladder)trans-85.490.9-174.9-81.8-59.8000106.7A22A22-N24 VanDerWaalsContact C-N 3.26Å; A22-N24 PolarHBondContact O-N 3.13Å; A22-N24 PolarHBondContact O-ND2 2.91Å
25Y70Confident54.4Low24 Ų2457.2 Ų57.29%0.09432%0.316CS..EExtended strand (participates in β ladder)trans-81.8145.3175.4-65.8-95.1000109.7N23 I52 L58 V59 L60 S61 F80 L82N23-Y25 HydrophobicContact CB-CD2 3.99Å; N23-Y25 HydrophobicContact CB-CE2 3.32Å; N23-Y25 WeakPolarHBondContact O-CD2 3.45Å; N23-Y25 PolarHBondContact O-N 3.21Å; N23-Y25 VanDerWaalsContact O-N 3.15Å; Y25-I52 HydrophobicContact CD1-CD1 4.37Å; Y25-I52 HydrophobicContact CE1-CD1 3.9Å; Y25-I52 HydrophobicContact CE2-CD1 4.15Å; Y25-L58 HydrophobicContact CD2-CD1 3.17Å; Y25-L58 HydrophobicContact CD2-CG 4.39Å; Y25-L58 HydrophobicContact CE2-CD1 3.14Å; Y25-L58 HydrophobicContact CG-CD1 4.18Å; Y25-V59 PolarHBondContact N-O 2.9Å; Y25-L60 HydrophobicContact CD2-CD2 4.23Å; Y25-L60 HydrophobicContact CG-CD2 4.16Å; Y25-L60 WeakPolarHBondContact O-CA 3.35Å; Y25-S61 PolarHBondContact O-N 2.84Å; Y25-S61 PolarHBondContact O-OG 3.13Å; Y25-F80 CarbonylContact C-O 3.58Å; Y25-F80 VanDerWaalsContact CA-O 3.31Å; Y25-F80 WeakPolarHBondContact CA-O 3.04Å; Y25-F80 HydrophobicContact CD1-CB 3.18Å; Y25-F80 HydrophobicContact CD1-CG 4.17Å; Y25-F80 HydrophobicContact CE1-CB 3.27Å; Y25-F80 HydrophobicContact CE1-CD2 4.2Å; Y25-F80 AromaticContact CE1-CG 3.8Å; Y25-F80 HydrophobicContact CE1-CG 3.8Å; Y25-F80 HydrophobicContact CG-CB 4.04Å; Y25-L82 HydrophobicContact CD1-CD1 3.55Å; Y25-L82 HydrophobicContact CD1-CD2 3.47Å; Y25-L82 VanDerWaalsContact CD1-CD2 3.47Å; Y25-L82 HydrophobicContact CD1-CG 3.44Å; Y25-L82 VanDerWaalsContact CD1-CG 3.44Å; Y25-L82 HydrophobicContact CD2-CD1 4.49Å; Y25-L82 HydrophobicContact CE1-CD1 4.34Å; Y25-L82 HydrophobicContact CE1-CD2 3.85Å; Y25-L82 HydrophobicContact CE1-CG 4.3Å; Y25-L82 HydrophobicContact CG-CD1 3.66Å; Y25-L82 HydrophobicContact CG-CD2 4.41Å; Y25-L82 HydrophobicContact CG-CG 3.96Å
26I70.1Confident55.9Low0 Ų059 Ų590%032%0.315CS..EExtended strand (participates in β ladder)trans-107128.1172-66.1-167000108.4L28 S61 P63 L66 F71 K79 F80 A81 L82I26-L28 PolarHBondContact O-N 3.07Å; I26-S61 WeakPolarHBondContact CA-O 3.32Å; I26-P63 HydrophobicContact CG2-CB 4.02Å; I26-P63 HydrophobicContact CG2-CG 3.64Å; I26-L66 HydrophobicContact CD1-CD1 3.95Å; I26-F71 HydrophobicContact CB-CE1 4Å; I26-F71 HydrophobicContact CB-CZ 4.37Å; I26-F71 HydrophobicContact CD1-CD1 4.39Å; I26-F71 HydrophobicContact CD1-CE1 3.33Å; I26-F71 HydrophobicContact CD1-CE2 4.4Å; I26-F71 HydrophobicContact CD1-CZ 3.35Å; I26-F71 HydrophobicContact CG1-CE1 4.18Å; I26-F71 HydrophobicContact CG1-CZ 4.4Å; I26-F71 HydrophobicContact CG2-CE1 3.7Å; I26-F71 HydrophobicContact CG2-CZ 3.68Å; I26-K79 HydrophobicContact CD1-CB 4.15Å; I26-K79 HydrophobicContact CD1-CD 3.39Å; I26-K79 HydrophobicContact CD1-CG 4.43Å; I26-K79 HydrophobicContact CG1-CB 4.32Å; I26-K79 HydrophobicContact CG1-CD 4.09Å; I26-F80 PolarHBondContact N-O 3.13Å; I26-A81 WeakPolarHBondContact O-CA 3.44Å; I26-L82 PolarHBondContact O-N 3.08Å
27L74.6Confident57Low2 Ų257.2 Ų57.21%0.0131%0.305CS..EExtended strand (participates in β ladder)trans-67.5113.7169.5-60173.4000107.8L60 S61 W62 W199 F262L27-L60 HydrophobicContact CD1-CB 4.48Å; L27-L60 HydrophobicContact CD2-CB 3.89Å; L27-L60 HydrophobicContact CD2-CD1 4.04Å; L27-L60 HydrophobicContact CD2-CG 4.48Å; L27-L60 HydrophobicContact CG-CB 4.12Å; L27-S61 PolarHBondContact N-O 3.49Å; L27-W62 HydrophobicContact CB-CE3 3.85Å; L27-W62 HydrophobicContact CB-CZ3 4.38Å; L27-W62 HydrophobicContact CD1-CB 4.42Å; L27-W62 VanDerWaalsContact O-CE3 3.31Å; L27-W62 WeakPolarHBondContact O-CZ3 3.42Å; L27-W199 HydrophobicContact CB-CZ2 3.9Å; L27-W199 HydrophobicContact CD2-CD2 4.17Å; L27-W199 HydrophobicContact CD2-CE3 4.05Å; L27-W199 HydrophobicContact CD2-CH2 3.4Å; L27-W199 VanDerWaalsContact CD2-CH2 3.4Å; L27-W199 HydrophobicContact CD2-CZ2 3.53Å; L27-W199 HydrophobicContact CD2-CZ3 3.67Å; L27-W199 HydrophobicContact CG-CZ2 4.31Å; L27-F262 HydrophobicContact CD1-CB 4.21Å
28L72.4Confident58Low12 Ų1261.2 Ų61.26%0.06331%0.31CS..  trans-84.7161.4167.1-61.7-177.9000109.8I26 D32 L34 A81 L82 W199I26-L28 PolarHBondContact O-N 3.07Å; L28-D32 HydrophobicContact CB-CB 4.25Å; L28-L34 HydrophobicContact CD1-CB 3.85Å; L28-L34 HydrophobicContact CD1-CD1 4.1Å; L28-A81 HydrophobicContact CD1-CB 3.69Å; L28-A81 HydrophobicContact CD2-CB 4.02Å; L28-A81 HydrophobicContact CG-CB 3.81Å; L28-L82 WeakPolarHBondContact CB-O 3.18Å; L28-L82 PolarHBondContact N-O 2.68Å; L28-W199 WeakPolarHBondContact O-CZ2 3.35Å; L28-W199 PolarHBondContact O-NE1 3.14Å
29S71.6Confident58.7Low3 Ų363.2 Ų63.22%0.02131%0.309CS..  trans-83.1155.4167.2-157.60000111.9F31 D32 C35 E204S29-F31 PolarHBondContact O-N 3.03Å; S29-F31 VanDerWaalsContact O-N 3.14Å; S29-D32 VanDerWaalsContact O-CB 3.25Å; S29-D32 WeakPolarHBondContact O-CB 3.37Å; S29-D32 PolarHBondContact O-N 3.4Å; S29-C35 PolarHBondContact O-SG 3.22Å; S29-E204 WeakPolarHBondContact CB-OE1 3.3Å; S29-E204 WeakPolarHBondContact CB-OE2 3.3Å; S29-E204 VanDerWaalsContact OG-CD 3.28Å; S29-E204 PolarHBondContact OG-OE1 3.19Å; S29-E204 PolarHBondContact OG-OE2 2.85Å
30S68.6Low59.5Low47 Ų4767.1 Ų67.133%0.32933%0.33SS..THydrogen-bonded Turntrans-58.7-24173.742.30000113.3
31F64.3Low59.5Low80 Ų8070.2 Ų70.235%0.35134%0.337SS..THydrogen-bonded Turntrans-91.4-4.3177.8-63.2-101.1000113.9S29 K33 K36 E204S29-F31 PolarHBondContact O-N 3.03Å; S29-F31 VanDerWaalsContact O-N 3.14Å; F31-K33 PolarHBondContact O-N 2.95Å; F31-K36 WeakPolarHBondContact O-CE 3.26Å; F31-E204 HydrophobicContact CB-CB 4.33Å; F31-E204 HydrophobicContact CB-CG 4.39Å; F31-E204 WeakPolarHBondContact CB-OE2 3.46Å; F31-E204 HydrophobicContact CD2-CB 3.82Å; F31-E204 WeakPolarHBondContact CD2-OE2 3.43Å; F31-E204 HydrophobicContact CE2-CB 4.25Å; F31-E204 HydrophobicContact CG-CB 4.04Å
32D64.9Low59.4Low49 Ų4969.5 Ų69.526%0.26235%0.354SS..SBendtrans-56.7140.3174.6-163.5-57000109.5L28 S29 L34 C35 K36L28-D32 HydrophobicContact CB-CB 4.25Å; S29-D32 VanDerWaalsContact O-CB 3.25Å; S29-D32 WeakPolarHBondContact O-CB 3.37Å; S29-D32 PolarHBondContact O-N 3.4Å; D32-L34 PolarHBondContact O-N 3.4Å; D32-L34 VanDerWaalsContact O-N 3.17Å; D32-L34 WeakPolarHBondContact OD1-CG 3.43Å; D32-L34 PolarHBondContact OD1-N 2.99Å; D32-C35 PolarHBondContact O-N 3.46Å; D32-K36 PolarHBondContact O-N 3Å
33K64.2Low58.8Low132 Ų13278.2 Ų78.257%0.57439%0.385SS*.Hα-helixtrans-55.2-34177.4-176.8176.6172.5-176.60111.3F31 C35 K36 E37F31-K33 PolarHBondContact O-N 2.95Å; K33-C35 VanDerWaalsContact C-N 3.34Å; K33-C35 PolarHBondContact O-N 3.43Å; K33-K36 PolarHBondContact O-N 3.35Å; K33-E37 WeakPolarHBondContact CE-OE1 3.4Å; K33-E37 WeakPolarHBondContact CE-OE2 3.43Å; K33-E37 HydrophobicContact CG-CG 4.01Å; K33-E37 IonicContact NZ-OE1 2.7Å; K33-E37 VanDerWaalsContact O-CB 3.32Å; K33-E37 WeakPolarHBondContact O-CB 3.16Å; K33-E37 WeakPolarHBondContact O-CG 3.26Å; K33-E37 PolarHBondContact O-N 3.3Å
34L63.5Low57.6Low47 Ų4780.3 Ų80.325%0.24640%0.4CS..Hα-helixtrans-66.9-31.5176.5-60-174.8000113.3L28 D32 N46L28-L34 HydrophobicContact CD1-CB 3.85Å; L28-L34 HydrophobicContact CD1-CD1 4.1Å; D32-L34 PolarHBondContact O-N 3.4Å; D32-L34 VanDerWaalsContact O-N 3.17Å; D32-L34 WeakPolarHBondContact OD1-CG 3.43Å; D32-L34 PolarHBondContact OD1-N 2.99Å; L34-N46 WeakPolarHBondContact CD2-ND2 3.48Å
35C66.4Low56.4Low21 Ų2181.4 Ų81.414%0.14242%0.417CS..Hα-helixtrans-82.6-25.8175.5-62.40000112.7S29 D32 K33 C83S29-C35 PolarHBondContact O-SG 3.22Å; D32-C35 PolarHBondContact O-N 3.46Å; K33-C35 VanDerWaalsContact C-N 3.34Å; K33-C35 PolarHBondContact O-N 3.43Å; C35-C83 WeakPolarHBondContact CA-SG 3.38Å; C35-C83 HydrophobicContact CB-CB 3.91Å; C35-C83 WeakPolarHBondContact CB-SG 3.32Å; C35-C83 VanDerWaalsContact SG-CA 3.56Å; C35-C83 WeakPolarHBondContact SG-CB 3.36Å; C35-C83 CovalentContact SG-SG 2.03Å; C35-C83 PolarHBondContact SG-SG 2.89Å
36K65.5Low55.1Low135 Ų13583.7 Ų83.759%0.58743%0.431SS*.Hα-helixtrans-81.8-37.9174.1-66.2-172.3-178.6-173.50113.2F31 D32 K33 R38F31-K36 WeakPolarHBondContact O-CE 3.26Å; D32-K36 PolarHBondContact O-N 3Å; K33-K36 PolarHBondContact O-N 3.35Å; K36-R38 PolarHBondContact O-N 2.91Å
37E59.6Low54.3Low65 Ų6590.5 Ų90.530%0.30446%0.458SS..  trans-78.559.2176.6-68.7-171.3152.600111.4K33 H39 K41K33-E37 WeakPolarHBondContact CE-OE1 3.4Å; K33-E37 WeakPolarHBondContact CE-OE2 3.43Å; K33-E37 HydrophobicContact CG-CG 4.01Å; K33-E37 IonicContact NZ-OE1 2.7Å; K33-E37 VanDerWaalsContact O-CB 3.32Å; K33-E37 WeakPolarHBondContact O-CB 3.16Å; K33-E37 WeakPolarHBondContact O-CG 3.26Å; K33-E37 PolarHBondContact O-N 3.3Å; E37-H39 PolarHBondContact O-N 2.78Å; E37-H39 VanDerWaalsContact O-N 3.1Å; E37-K41 IonicContact OE1-NZ 2.67Å; E37-K41 PolarHBondContact OE1-NZ 3.24Å
38R52.7Low53.3Low171 Ų17192.6 Ų92.665%0.64547%0.471SS*.  trans-65-1.9166.5-105.3-172.8177.3176.60.2113.6K36 D50K36-R38 PolarHBondContact O-N 2.91Å; R38-D50 IonicContact CZ-OD2 3.77Å; R38-D50 IonicContact NE-OD2 3.89Å; R38-D50 IonicContact NH2-OD1 2.67Å; R38-D50 IonicContact NH2-OD2 3.66Å; R38-D50 PolarHBondContact NH2-OD2 2.95Å
39H41.9Very low52.8Low144 Ų14493.9 Ų93.967%0.66748%0.479SS*.SBendtrans-132.7120.1-171.6-59-73.6000111.9E37E37-H39 PolarHBondContact O-N 2.78Å; E37-H39 VanDerWaalsContact O-N 3.1Å
40D43.3Very low52.3Low156 Ų15696.5 Ų96.583%0.83449%0.493SS*.  trans60.156.5151.2-54.8-31.4000120.4
41K35.9Very low52.1Low141 Ų141100.4 Ų100.461%0.61351%0.506SS*.  trans-136.5102.8157.4-66.7-175.6-174.4156.40113.4E37E37-K41 IonicContact OE1-NZ 2.67Å; E37-K41 PolarHBondContact OE1-NZ 3.24Å
42G34.1Very low52.3Low70 Ų7097.3 Ų97.372%0.72249%0.493SS*.  trans-69.2160.5171.900000113.6
43F33.1Very low52.4Low221 Ų22198.9 Ų98.997%0.96950%0.504SS*.SBendtrans80.519.4171.7-67-80.4000119.9
44V32.7Very low52.5Low107 Ų10792.9 Ų92.965%0.64848%0.478SS*.SBendtrans-128.3132.4147.4-174.30000108.2N46V44-N46 PolarHBondContact O-N 3.21Å
45A35Very low52.4Low82 Ų8298.8 Ų98.868%0.67850%0.497SS*.  trans-76.364.8-174.500000112.2Y47A45-Y47 HydrophobicContact CB-CE2 4.04Å; A45-Y47 PolarHBondContact O-N 3.19Å
46N42.3Very low52.2Low73 Ų73101.1 Ų101.139%0.3951%0.506SS..  trans-8386.3176.5-60.4-40.3000109.3L34 V44 V48L34-N46 WeakPolarHBondContact CD2-ND2 3.48Å; V44-N46 PolarHBondContact O-N 3.21Å; N46-V48 PolarHBondContact O-N 3.1Å
47Y53.3Low52.5Low142 Ų14296.2 Ų96.256%0.55749%0.485SS*.  trans-74.681.3166.2-60.4-85.4000109A45 V49 F80A45-Y47 HydrophobicContact CB-CE2 4.04Å; A45-Y47 PolarHBondContact O-N 3.19Å; Y47-V49 PolarHBondContact O-N 2.96Å; Y47-F80 AromaticContact CD2-CD1 3.72Å; Y47-F80 HydrophobicContact CD2-CD1 3.72Å; Y47-F80 AromaticContact CD2-CE1 3.62Å; Y47-F80 HydrophobicContact CD2-CE1 3.62Å; Y47-F80 HydrophobicContact CE2-CE1 4Å; Y47-F80 HydrophobicContact CG-CD1 4.12Å; Y47-F80 HydrophobicContact CG-CE1 4.2Å
48V54.3Low53.3Low47 Ų4793.3 Ų93.329%0.28547%0.472SS..  trans-72.4107.6160.7175.80000106.3N46 C83N46-V48 PolarHBondContact O-N 3.1Å; V48-C83 HydrophobicContact CG1-CB 4.03Å; V48-C83 WeakPolarHBondContact CG1-SG 3.36Å
49V61.6Low54.5Low38 Ų3885.7 Ų85.723%0.2344%0.444CS..  trans-110.5109.3-176.9-170.80000109.2Y47 E51 I52 L82Y47-V49 PolarHBondContact O-N 2.96Å; V49-E51 WeakPolarHBondContact CG1-O 3.25Å; V49-I52 HydrophobicContact CB-CG1 4.19Å; V49-I52 HydrophobicContact CG1-CD1 4.44Å; V49-I52 HydrophobicContact CG1-CG1 3.58Å; V49-L82 HydrophobicContact CB-CD2 3.8Å; V49-L82 HydrophobicContact CG2-CD2 4.33Å
50D62.3Low56.3Low58 Ų5878.9 Ų78.931%0.3141%0.413SS..SBendtrans-80.5-20.1177.2-68.1-34.6000112.2R38 V87R38-D50 IonicContact CZ-OD2 3.77Å; R38-D50 IonicContact NE-OD2 3.89Å; R38-D50 IonicContact NH2-OD1 2.67Å; R38-D50 IonicContact NH2-OD2 3.66Å; R38-D50 PolarHBondContact NH2-OD2 2.95Å; D50-V87 PolarHBondContact O-N 3.36Å
51E64.3Low57.9Low130 Ų13072.9 Ų72.961%0.60738%0.383SS*.EExtended strand (participates in β ladder)trans-135.9122.5178.7-63.5-169-179.200112.7V49 V87 H89V49-E51 WeakPolarHBondContact CG1-O 3.25Å; E51-V87 CarbonylContact C-O 3.6Å; E51-V87 WeakPolarHBondContact CA-O 3.49Å; E51-V87 HydrophobicContact CG-CB 4.33Å; E51-H89 IonicContact OE2-CE1 2.7Å
52I67.6Low59.7Low14 Ų1467.2 Ų67.27%0.07236%0.358CS..EExtended strand (participates in β ladder)trans-118125.8178.4-63.9177.2000111.6Y25 V49 I54 L58 L82 L86 V87 I88 H89Y25-I52 HydrophobicContact CD1-CD1 4.37Å; Y25-I52 HydrophobicContact CE1-CD1 3.9Å; Y25-I52 HydrophobicContact CE2-CD1 4.15Å; V49-I52 HydrophobicContact CB-CG1 4.19Å; V49-I52 HydrophobicContact CG1-CD1 4.44Å; V49-I52 HydrophobicContact CG1-CG1 3.58Å; I52-I54 HydrophobicContact CG2-CG1 4.17Å; I52-L58 HydrophobicContact CD1-CD1 3.94Å; I52-L58 HydrophobicContact CG2-CD1 4.43Å; I52-L82 HydrophobicContact CD1-CD1 3.8Å; I52-L82 HydrophobicContact CD1-CD2 4.14Å; I52-L86 HydrophobicContact CB-CD1 4.31Å; I52-L86 HydrophobicContact CD1-CD1 3.67Å; I52-L86 HydrophobicContact CG1-CD1 3.73Å; I52-V87 PolarHBondContact N-O 3.38Å; I52-I88 WeakPolarHBondContact O-CA 3.16Å; I52-H89 PolarHBondContact O-N 3.29Å
53T67.3Low61Low83 Ų8364.8 Ų64.851%0.50933%0.329SS..EExtended strand (participates in β ladder)trans-89.9110166.7-44.40000109.9R55 H89 S91T53-R55 PolarHBondContact O-N 3.49Å; T53-H89 WeakPolarHBondContact CA-O 3.33Å; T53-S91 WeakPolarHBondContact CG2-OG 3.49Å
54I65Low61.9Low6 Ų654.5 Ų54.53%0.03129%0.285CS..EExtended strand (participates in β ladder)trans-80.5117.8-178.2-65.5179.4000110.3I52 E56 L58 I88 H89 S91 L109 I266I52-I54 HydrophobicContact CG2-CG1 4.17Å; I54-E56 WeakPolarHBondContact CG2-O 3.27Å; I54-L58 HydrophobicContact CD1-CB 3.59Å; I54-L58 HydrophobicContact CD1-CD2 3.92Å; I54-L58 HydrophobicContact CD1-CG 4.39Å; I54-L58 HydrophobicContact CG1-CB 4.06Å; I54-L58 HydrophobicContact CG1-CD2 4.43Å; I54-I88 HydrophobicContact CD1-CG2 3.34Å; I54-I88 HydrophobicContact CG1-CG2 3.83Å; I54-H89 PolarHBondContact N-O 2.78Å; I54-S91 VanDerWaalsContact O-CB 3.23Å; I54-S91 WeakPolarHBondContact O-CB 3.24Å; I54-S91 PolarHBondContact O-N 3.48Å; I54-S91 PolarHBondContact O-OG 3.17Å; I54-L109 HydrophobicContact CD1-CD2 4.38Å; I54-I266 HydrophobicContact CD1-CB 3.78Å; I54-I266 HydrophobicContact CD1-CG2 3.46Å; I54-I266 VanDerWaalsContact CD1-CG2 3.46Å
55R61.7Low62.6Low171 Ų17154.8 Ų54.865%0.64528%0.283SS*.SBendtrans-93.3-20.1170-70.8-177.9-178.4-178.64.3113.8T53 S91 Q347 T349T53-R55 PolarHBondContact O-N 3.49Å; R55-S91 WeakPolarHBondContact CA-OG 3.48Å; R55-S91 WeakPolarHBondContact CG-OG 3.43Å; R55-S91 PolarHBondContact N-OG 3.08Å; R55-Q347 PolarHBondContact O-OE1 2.87Å; R55-T349 WeakPolarHBondContact O-CB 3.5Å; R55-T349 PolarHBondContact O-OG1 3.14Å
56E62.9Low62.9Low70 Ų7053.6 Ų53.633%0.32727%0.265SS..SBendtrans-143.1-107-166.5-64.1171.1-161.500108.2I54 T349 M350I54-E56 WeakPolarHBondContact CG2-O 3.27Å; E56-T349 WeakPolarHBondContact CG-O 3.47Å; E56-M350 HydrophobicContact CB-CG 4.1Å
57Q72Confident62.8Low32 Ų3255.2 Ų55.215%0.1527%0.274CS..EExtended strand (participates in β ladder)trans-130.5142.1175.5-174.4176.2105.700110.5V59 R265 I266 E373Q57-V59 HydrophobicContact CG-CG2 4.19Å; Q57-R265 HydrophobicContact CG-CG 3.87Å; Q57-I266 CarbonylContact C-O 3.45Å; Q57-I266 WeakPolarHBondContact CA-O 3.32Å; Q57-E373 PolarHBondContact NE2-OE1 3.36Å
58L75.7Confident62.4Low4 Ų449.6 Ų49.62%0.02125%0.254CS..EExtended strand (participates in β ladder)trans-109.7125.8172.2-178.370.6000108.6Y25 I52 I54 L60 L86 I88 R265 I266Y25-L58 HydrophobicContact CD2-CD1 3.17Å; Y25-L58 HydrophobicContact CD2-CG 4.39Å; Y25-L58 HydrophobicContact CE2-CD1 3.14Å; Y25-L58 HydrophobicContact CG-CD1 4.18Å; I52-L58 HydrophobicContact CD1-CD1 3.94Å; I52-L58 HydrophobicContact CG2-CD1 4.43Å; I54-L58 HydrophobicContact CD1-CB 3.59Å; I54-L58 HydrophobicContact CD1-CD2 3.92Å; I54-L58 HydrophobicContact CD1-CG 4.39Å; I54-L58 HydrophobicContact CG1-CB 4.06Å; I54-L58 HydrophobicContact CG1-CD2 4.43Å; L58-L60 HydrophobicContact CD1-CD2 3.84Å; L58-L60 HydrophobicContact CD2-CD1 4.39Å; L58-L60 HydrophobicContact CD2-CD2 3.81Å; L58-L60 HydrophobicContact CD2-CG 4.2Å; L58-L60 HydrophobicContact CG-CD2 3.63Å; L58-L60 HydrophobicContact CG-CG 4.17Å; L58-L86 HydrophobicContact CD2-CD2 4.5Å; L58-I88 HydrophobicContact CD2-CD1 3.38Å; L58-I88 HydrophobicContact CD2-CG1 4.05Å; L58-R265 CarbonylContact O-C 3.6Å; L58-R265 VanDerWaalsContact O-CA 3.32Å; L58-R265 WeakPolarHBondContact O-CA 3.2Å; L58-I266 HydrophobicContact CB-CB 4.26Å; L58-I266 PolarHBondContact N-O 3.12Å; L58-I266 PolarHBondContact O-N 2.96Å
59V77.6Confident61.8Low11 Ų1151.2 Ų51.27%0.06727%0.268CS..EExtended strand (participates in β ladder)trans-119.1110173.2-177.70000108.8A22 N23 Y25 Q57 L263 R265A22-V59 HydrophobicContact CB-CG2 4.47Å; N23-V59 PolarHBondContact O-N 3.41Å; Y25-V59 PolarHBondContact N-O 2.9Å; Q57-V59 HydrophobicContact CG-CG2 4.19Å; V59-L263 HydrophobicContact CG1-CD1 3.57Å; V59-R265 HydrophobicContact CG2-CG 4.37Å
60L80.4Confident60.7Low0 Ų052 Ų520%028%0.275CS..EExtended strand (participates in β ladder)trans-97.5130.1173.4-41.2179.9000108.7Y25 L27 L58 L82 L86 I197 L263 V264Y25-L60 HydrophobicContact CD2-CD2 4.23Å; Y25-L60 HydrophobicContact CG-CD2 4.16Å; Y25-L60 WeakPolarHBondContact O-CA 3.35Å; L27-L60 HydrophobicContact CD1-CB 4.48Å; L27-L60 HydrophobicContact CD2-CB 3.89Å; L27-L60 HydrophobicContact CD2-CD1 4.04Å; L27-L60 HydrophobicContact CD2-CG 4.48Å; L27-L60 HydrophobicContact CG-CB 4.12Å; L58-L60 HydrophobicContact CD1-CD2 3.84Å; L58-L60 HydrophobicContact CD2-CD1 4.39Å; L58-L60 HydrophobicContact CD2-CD2 3.81Å; L58-L60 HydrophobicContact CD2-CG 4.2Å; L58-L60 HydrophobicContact CG-CD2 3.63Å; L58-L60 HydrophobicContact CG-CG 4.17Å; L60-L82 HydrophobicContact CD2-CD1 3.61Å; L60-L86 HydrophobicContact CD1-CD2 3.68Å; L60-L86 HydrophobicContact CD2-CD2 4.23Å; L60-I197 HydrophobicContact CD1-CD1 3.67Å; L60-L263 CarbonylContact O-C 3.38Å; L60-L263 WeakPolarHBondContact O-CA 3.41Å; L60-V264 HydrophobicContact CB-CB 4.1Å; L60-V264 HydrophobicContact CD1-CB 4.22Å; L60-V264 HydrophobicContact CD1-CG1 4.22Å; L60-V264 HydrophobicContact CG-CB 4.31Å; L60-V264 PolarHBondContact N-O 3.34Å; L60-V264 PolarHBondContact O-N 3.48Å
61S77.2Confident59.9Low30 Ų3052.5 Ų52.521%0.2128%0.275CS..EExtended strand (participates in β ladder)trans-127.8138.3176.758.40000111.4Y25 I26 L27 F262Y25-S61 PolarHBondContact O-N 2.84Å; Y25-S61 PolarHBondContact O-OG 3.13Å; I26-S61 WeakPolarHBondContact CA-O 3.32Å; L27-S61 PolarHBondContact N-O 3.49Å; S61-F262 WeakPolarHBondContact CA-O 3.41Å
62W72.8Confident59Low23 Ų2355.8 Ų55.89%0.08728%0.283CS..  trans-81.5131166.8179.2-102.7000109.5L27 G64 L201 L255 F262L27-W62 HydrophobicContact CB-CE3 3.85Å; L27-W62 HydrophobicContact CB-CZ3 4.38Å; L27-W62 HydrophobicContact CD1-CB 4.42Å; L27-W62 VanDerWaalsContact O-CE3 3.31Å; L27-W62 WeakPolarHBondContact O-CZ3 3.42Å; W62-G64 PolarHBondContact O-N 2.98Å; W62-L201 HydrophobicContact CD2-CD1 4.31Å; W62-L201 HydrophobicContact CE3-CD1 3.74Å; W62-L201 HydrophobicContact CH2-CD1 3.16Å; W62-L201 HydrophobicContact CZ2-CD1 3.72Å; W62-L201 HydrophobicContact CZ3-CD1 3.14Å; W62-L255 HydrophobicContact CH2-CD2 4.17Å; W62-L255 HydrophobicContact CZ2-CD2 4.01Å; W62-F262 HydrophobicContact CB-CB 3.82Å; W62-F262 HydrophobicContact CB-CD2 3.72Å; W62-F262 HydrophobicContact CB-CG 4.27Å; W62-F262 AromaticContact CG-CD2 3.99Å; W62-F262 HydrophobicContact CG-CD2 3.99Å; W62-F262 PolarHBondContact N-O 3.3Å
63P61.4Low57.6Low19 Ų1960.1 Ų60.112%0.12331%0.306CS..  trans-78.849.7-177.634-35.1000112.7I26 D65 L66 F71I26-P63 HydrophobicContact CG2-CB 4.02Å; I26-P63 HydrophobicContact CG2-CG 3.64Å; P63-D65 VanDerWaalsContact C-N 3.25Å; P63-D65 PolarHBondContact O-N 3.15Å; P63-L66 HydrophobicContact CB-CB 3.97Å; P63-L66 HydrophobicContact CB-CD1 3.95Å; P63-L66 HydrophobicContact CB-CG 4.35Å; P63-L66 PolarHBondContact O-N 3.36Å; P63-F71 HydrophobicContact CB-CE2 4.08Å; P63-F71 HydrophobicContact CB-CZ 3.74Å; P63-F71 HydrophobicContact CG-CZ 4.1Å
64G53.6Low56.3Low4 Ų461.1 Ų61.14%0.04131%0.314CS..THydrogen-bonded Turntrans-59.1-31.3-174.200000114.9W62W62-G64 PolarHBondContact O-N 2.98Å
65D46.2Very low55.2Low114 Ų11465.1 Ų65.161%0.6134%0.343SS*.THydrogen-bonded Turntrans-108.2-5.7179-54.2-33.6000113.5P63 N67 K261P63-D65 VanDerWaalsContact C-N 3.25Å; P63-D65 PolarHBondContact O-N 3.15Å; D65-N67 PolarHBondContact O-N 3.25Å; D65-K261 WeakPolarHBondContact OD1-CE 3.42Å; D65-K261 IonicContact OD1-NZ 3.55Å; D65-K261 VanDerWaalsContact OD2-CE 3.24Å; D65-K261 WeakPolarHBondContact OD2-CE 3.43Å; D65-K261 IonicContact OD2-NZ 2.87Å; D65-K261 PolarHBondContact OD2-NZ 3.1Å
66L42.1Very low54.3Low56 Ų5667.9 Ų67.929%0.29335%0.353SS..  trans-83.6118.9-174.4-69.1173.6000110.1I26 P63 T68 F71I26-L66 HydrophobicContact CD1-CD1 3.95Å; P63-L66 HydrophobicContact CB-CB 3.97Å; P63-L66 HydrophobicContact CB-CD1 3.95Å; P63-L66 HydrophobicContact CB-CG 4.35Å; P63-L66 PolarHBondContact O-N 3.36Å; L66-T68 PolarHBondContact O-N 2.87Å; L66-T68 VanDerWaalsContact O-N 3.08Å; L66-F71 HydrophobicContact CB-CE2 4.09Å; L66-F71 HydrophobicContact CD1-CE2 4.23Å; L66-F71 HydrophobicContact CD1-CZ 4.34Å
67N40.4Very low53.4Low108 Ų10867.7 Ų67.758%0.57835%0.354SS*.  trans-54.6118157.7-87.6-19000108.2D65 S69 S70D65-N67 PolarHBondContact O-N 3.25Å; N67-S69 PolarHBondContact O-N 3.05Å; N67-S70 WeakPolarHBondContact O-CB 3.14Å; N67-S70 PolarHBondContact O-N 3.27Å; N67-S70 PolarHBondContact O-OG 3.49Å
68T43.8Very low52.1Low24 Ų2470.2 Ų70.215%0.14737%0.373CS..G310 helixtrans-45.2-32.3172.4460000113.5L66 S70 F71 Y72 H253 L255L66-T68 PolarHBondContact O-N 2.87Å; L66-T68 VanDerWaalsContact O-N 3.08Å; T68-S70 PolarHBondContact O-N 2.82Å; T68-S70 VanDerWaalsContact O-N 3.13Å; T68-F71 WeakPolarHBondContact O-CB 3.1Å; T68-F71 PolarHBondContact O-N 2.86Å; T68-Y72 WeakPolarHBondContact O-CD2 3.01Å; T68-H253 PolarHBondContact OG1-CD2 3.25Å; T68-H253 PolarHBondContact OG1-CE1 3.3Å; T68-H253 PolarHBondContact OG1-ND1 3.27Å; T68-H253 PolarHBondContact OG1-NE2 3.22Å; T68-L255 HydrophobicContact CG2-CD1 4.46Å
69S41.2Very low51.2Low80 Ų8074.5 Ų74.556%0.55939%0.392SS*.G310 helixtrans-57.7-23.3174.560.10000114.3N67N67-S69 PolarHBondContact O-N 3.05Å
70S40.1Very low50.6Low56 Ų5676.3 Ų76.339%0.39240%0.399SS..G310 helixtrans-73.7-23.7175.864.90000114N67 T68 N73N67-S70 WeakPolarHBondContact O-CB 3.14Å; N67-S70 PolarHBondContact O-N 3.27Å; N67-S70 PolarHBondContact O-OG 3.49Å; T68-S70 PolarHBondContact O-N 2.82Å; T68-S70 VanDerWaalsContact O-N 3.13Å; S70-N73 PolarHBondContact O-N 3.29Å
71F45Very low50Low68 Ų6876.9 Ų76.930%0.29840%0.404SS..THydrogen-bonded Turntrans-69.8-38.2177-74.4-105.6000112.2I26 P63 L66 T68 N73I26-F71 HydrophobicContact CB-CE1 4Å; I26-F71 HydrophobicContact CB-CZ 4.37Å; I26-F71 HydrophobicContact CD1-CD1 4.39Å; I26-F71 HydrophobicContact CD1-CE1 3.33Å; I26-F71 HydrophobicContact CD1-CE2 4.4Å; I26-F71 HydrophobicContact CD1-CZ 3.35Å; I26-F71 HydrophobicContact CG1-CE1 4.18Å; I26-F71 HydrophobicContact CG1-CZ 4.4Å; I26-F71 HydrophobicContact CG2-CE1 3.7Å; I26-F71 HydrophobicContact CG2-CZ 3.68Å; P63-F71 HydrophobicContact CB-CE2 4.08Å; P63-F71 HydrophobicContact CB-CZ 3.74Å; P63-F71 HydrophobicContact CG-CZ 4.1Å; L66-F71 HydrophobicContact CB-CE2 4.09Å; L66-F71 HydrophobicContact CD1-CE2 4.23Å; L66-F71 HydrophobicContact CD1-CZ 4.34Å; T68-F71 WeakPolarHBondContact O-CB 3.1Å; T68-F71 PolarHBondContact O-N 2.86Å; F71-N73 PolarHBondContact O-N 3.36Å; F71-N73 VanDerWaalsContact O-N 3.09Å
72Y45.6Very low49.9Very low199 Ų19975.5 Ų75.578%0.7839%0.394SS*.THydrogen-bonded Turntrans-70.1-1178.2-65.9-79.2000113.4T68 P74T68-Y72 WeakPolarHBondContact O-CD2 3.01Å; Y72-P74 WeakPolarHBondContact O-CD 3.49Å
73N38.3Very low50.1Low104 Ų10474.8 Ų74.856%0.55639%0.392SS*.  trans-119.681.1178.5-158.4-23.4000110.3S70 F71 S75S70-N73 PolarHBondContact O-N 3.29Å; F71-N73 PolarHBondContact O-N 3.36Å; F71-N73 VanDerWaalsContact O-N 3.09Å; N73-S75 PolarHBondContact O-N 3.13Å; N73-S75 PolarHBondContact OD1-OG 2.93Å; N73-S75 VanDerWaalsContact OD1-OG 3.13Å
74P39Very low51Low104 Ų10475.5 Ų75.568%0.67540%0.397SS*.  trans-7114.3-169.830.4-38000114.7Y72 R76Y72-P74 WeakPolarHBondContact O-CD 3.49Å; P74-R76 VanDerWaalsContact C-N 3.27Å; P74-R76 PolarHBondContact O-N 3.09Å; P74-R76 VanDerWaalsContact O-N 3.07Å
75S42.3Very low52.2Low91 Ų9176.1 Ų76.164%0.63640%0.403SS*.SBendtrans-70.4-8-161.156.10000116.5N73N73-S75 PolarHBondContact O-N 3.13Å; N73-S75 PolarHBondContact OD1-OG 2.93Å; N73-S75 VanDerWaalsContact OD1-OG 3.13Å
76R42Very low53.8Low229 Ų22970.7 Ų70.786%0.86437%0.374SS*.SBendtrans-141.1-3.6180-75.4-161.1175.6-168.8-1.6118.8P74P74-R76 VanDerWaalsContact C-N 3.27Å; P74-R76 PolarHBondContact O-N 3.09Å; P74-R76 VanDerWaalsContact O-N 3.07Å
77N44.1Very low55.6Low66 Ų6669 Ų6935%0.35337%0.366SS..  trans-165126.1168-94.4-25.8000109.7F21 K79F21-N77 WeakPolarHBondContact CD1-OD1 3.5Å; F21-N77 WeakPolarHBondContact CE1-OD1 3.49Å; F21-N77 WeakPolarHBondContact CZ-OD1 3.49Å; N77-K79 VanDerWaalsContact C-N 3.29Å; N77-K79 HydrophobicContact CB-CG 4.26Å; N77-K79 PolarHBondContact O-N 3.06Å
78P45.6Very low57.5Low85 Ų8563.9 Ų63.955%0.55234%0.339SS*.  trans-71.588.9167.830.7-32.1000108.6F80P78-F80 PolarHBondContact O-N 3.05Å
79K56.1Low59.1Low93 Ų9364.5 Ų64.540%0.40434%0.34SS..  trans-78.1106.2172.2-61.6-162.6-173.6-177.90108.4I26 N77I26-K79 HydrophobicContact CD1-CB 4.15Å; I26-K79 HydrophobicContact CD1-CD 3.39Å; I26-K79 HydrophobicContact CD1-CG 4.43Å; I26-K79 HydrophobicContact CG1-CB 4.32Å; I26-K79 HydrophobicContact CG1-CD 4.09Å; N77-K79 VanDerWaalsContact C-N 3.29Å; N77-K79 HydrophobicContact CB-CG 4.26Å; N77-K79 PolarHBondContact O-N 3.06Å
80F66.4Low60.4Low50 Ų5061.6 Ų61.622%0.21932%0.319CS..  trans-64.6152.6174-61.4-81.1000110.3Y25 I26 Y47 P78Y25-F80 CarbonylContact C-O 3.58Å; Y25-F80 VanDerWaalsContact CA-O 3.31Å; Y25-F80 WeakPolarHBondContact CA-O 3.04Å; Y25-F80 HydrophobicContact CD1-CB 3.18Å; Y25-F80 HydrophobicContact CD1-CG 4.17Å; Y25-F80 HydrophobicContact CE1-CB 3.27Å; Y25-F80 HydrophobicContact CE1-CD2 4.2Å; Y25-F80 AromaticContact CE1-CG 3.8Å; Y25-F80 HydrophobicContact CE1-CG 3.8Å; Y25-F80 HydrophobicContact CG-CB 4.04Å; I26-F80 PolarHBondContact N-O 3.13Å; Y47-F80 AromaticContact CD2-CD1 3.72Å; Y47-F80 HydrophobicContact CD2-CD1 3.72Å; Y47-F80 AromaticContact CD2-CE1 3.62Å; Y47-F80 HydrophobicContact CD2-CE1 3.62Å; Y47-F80 HydrophobicContact CE2-CE1 4Å; Y47-F80 HydrophobicContact CG-CD1 4.12Å; Y47-F80 HydrophobicContact CG-CE1 4.2Å; P78-F80 PolarHBondContact O-N 3.05Å
81A68Low61.4Low12 Ų1259.7 Ų59.710%0.09931%0.306CS..EExtended strand (participates in β ladder)trans-129.4120.4-169.100000110.2I26 L28I26-A81 WeakPolarHBondContact O-CA 3.44Å; L28-A81 HydrophobicContact CD1-CB 3.69Å; L28-A81 HydrophobicContact CD2-CB 4.02Å; L28-A81 HydrophobicContact CG-CB 3.81Å
82L73.7Confident62Low0 Ų059.6 Ų59.60%032%0.324CS..EExtended strand (participates in β ladder)trans-111.3139.4-171.6-58.2-178.1000111.2Y25 I26 L28 V49 I52 L60 L86 W199Y25-L82 HydrophobicContact CD1-CD1 3.55Å; Y25-L82 HydrophobicContact CD1-CD2 3.47Å; Y25-L82 VanDerWaalsContact CD1-CD2 3.47Å; Y25-L82 HydrophobicContact CD1-CG 3.44Å; Y25-L82 VanDerWaalsContact CD1-CG 3.44Å; Y25-L82 HydrophobicContact CD2-CD1 4.49Å; Y25-L82 HydrophobicContact CE1-CD1 4.34Å; Y25-L82 HydrophobicContact CE1-CD2 3.85Å; Y25-L82 HydrophobicContact CE1-CG 4.3Å; Y25-L82 HydrophobicContact CG-CD1 3.66Å; Y25-L82 HydrophobicContact CG-CD2 4.41Å; Y25-L82 HydrophobicContact CG-CG 3.96Å; I26-L82 PolarHBondContact O-N 3.08Å; L28-L82 WeakPolarHBondContact CB-O 3.18Å; L28-L82 PolarHBondContact N-O 2.68Å; V49-L82 HydrophobicContact CB-CD2 3.8Å; V49-L82 HydrophobicContact CG2-CD2 4.33Å; I52-L82 HydrophobicContact CD1-CD1 3.8Å; I52-L82 HydrophobicContact CD1-CD2 4.14Å; L60-L82 HydrophobicContact CD2-CD1 3.61Å; L82-L86 HydrophobicContact CD1-CD1 4.07Å; L82-L86 HydrophobicContact CD1-CD2 3.56Å; L82-L86 HydrophobicContact CD1-CG 4.35Å; L82-W199 HydrophobicContact CB-CH2 4.33Å; L82-W199 WeakPolarHBondContact O-CZ2 3.46Å
83C77.9Confident62.7Low9 Ų957.9 Ų57.96%0.06132%0.316CS..  trans-91157.4174.5-63.10000111.1C35 V48 G85 W199C35-C83 WeakPolarHBondContact CA-SG 3.38Å; C35-C83 HydrophobicContact CB-CB 3.91Å; C35-C83 WeakPolarHBondContact CB-SG 3.32Å; C35-C83 VanDerWaalsContact SG-CA 3.56Å; C35-C83 WeakPolarHBondContact SG-CB 3.36Å; C35-C83 CovalentContact SG-SG 2.03Å; C35-C83 PolarHBondContact SG-SG 2.89Å; V48-C83 HydrophobicContact CG1-CB 4.03Å; V48-C83 WeakPolarHBondContact CG1-SG 3.36Å; C83-G85 PolarHBondContact O-N 2.85Å; C83-W199 VanDerWaalsContact C-CH2 3.45Å; C83-W199 WeakPolarHBondContact O-CH2 3.43Å
84P79.6Confident63.9Low34 Ų3454.8 Ų54.822%0.22130%0.298CS..THydrogen-bonded Turntrans-59.8135176.9-24.134.6000112.1W199P84-W199 HydrophobicContact CB-CD2 4.14Å; P84-W199 HydrophobicContact CB-CE3 4.43Å; P84-W199 HydrophobicContact CB-CZ2 4.36Å; P84-W199 HydrophobicContact CG-CD2 4.15Å; P84-W199 HydrophobicContact CG-CG 4.37Å; P84-W199 HydrophobicContact CG-CZ2 4Å
85G78.7Confident65.3Low16 Ų1651.6 Ų51.617%0.16528%0.276CS..THydrogen-bonded Turntrans117.2-4.1-177.100000114.7C83 V87 I197C83-G85 PolarHBondContact O-N 2.85Å; G85-V87 PolarHBondContact O-N 3.07Å; G85-I197 CarbonylContact C-O 3.55Å; G85-I197 PolarHBondContact N-O 3.37Å; G85-I197 VanDerWaalsContact N-O 3.1Å
86L80.5Confident66.9Low0 Ų050.5 Ų50.50%026%0.26CS..  trans-41.4120.2176.4174.766.4000113I52 L58 L60 L82 I88 R196 I197 W199I52-L86 HydrophobicContact CB-CD1 4.31Å; I52-L86 HydrophobicContact CD1-CD1 3.67Å; I52-L86 HydrophobicContact CG1-CD1 3.73Å; L58-L86 HydrophobicContact CD2-CD2 4.5Å; L60-L86 HydrophobicContact CD1-CD2 3.68Å; L60-L86 HydrophobicContact CD2-CD2 4.23Å; L82-L86 HydrophobicContact CD1-CD1 4.07Å; L82-L86 HydrophobicContact CD1-CD2 3.56Å; L82-L86 HydrophobicContact CD1-CG 4.35Å; L86-I88 HydrophobicContact CD1-CG1 4.41Å; L86-I88 HydrophobicContact CD2-CD1 3.9Å; L86-I88 HydrophobicContact CD2-CG1 4.12Å; L86-I88 HydrophobicContact CG-CD1 4.28Å; L86-I88 HydrophobicContact CG-CG1 3.99Å; L86-R196 CarbonylContact O-C 3.58Å; L86-R196 VanDerWaalsContact O-CA 3.32Å; L86-R196 WeakPolarHBondContact O-CA 3.46Å; L86-I197 HydrophobicContact CD2-CD1 4.42Å; L86-I197 PolarHBondContact N-O 3.49Å; L86-I197 PolarHBondContact O-N 2.87Å; L86-W199 HydrophobicContact CB-CZ3 4.32Å
87V80.1Confident68.6Low22 Ų2244.2 Ų44.213%0.13324%0.236CC..EExtended strand (participates in β ladder)trans-102.1139.6170.4-166.70000109.8D50 E51 I52 G85 H89 R194 R196D50-V87 PolarHBondContact O-N 3.36Å; E51-V87 CarbonylContact C-O 3.6Å; E51-V87 WeakPolarHBondContact CA-O 3.49Å; E51-V87 HydrophobicContact CG-CB 4.33Å; I52-V87 PolarHBondContact N-O 3.38Å; G85-V87 PolarHBondContact O-N 3.07Å; V87-H89 WeakPolarHBondContact CG1-NE2 3.31Å; V87-R194 HydrophobicContact CG1-CG 3.64Å; V87-R196 HydrophobicContact CG2-CB 4.29Å; V87-R196 HydrophobicContact CG2-CG 4.05Å
88I80.6Confident70.2Confident0 Ų044 Ų440%024%0.24CC..EExtended strand (participates in β ladder)trans-125.2132-175.4-64.9169.7000110I52 I54 L58 L86 L109 R194 I195 I197 I266I52-I88 WeakPolarHBondContact O-CA 3.16Å; I54-I88 HydrophobicContact CD1-CG2 3.34Å; I54-I88 HydrophobicContact CG1-CG2 3.83Å; L58-I88 HydrophobicContact CD2-CD1 3.38Å; L58-I88 HydrophobicContact CD2-CG1 4.05Å; L86-I88 HydrophobicContact CD1-CG1 4.41Å; L86-I88 HydrophobicContact CD2-CD1 3.9Å; L86-I88 HydrophobicContact CD2-CG1 4.12Å; L86-I88 HydrophobicContact CG-CD1 4.28Å; L86-I88 HydrophobicContact CG-CG1 3.99Å; I88-L109 HydrophobicContact CG2-CD1 3.98Å; I88-L109 HydrophobicContact CG2-CD2 4.21Å; I88-R194 WeakPolarHBondContact O-CA 3.04Å; I88-I195 WeakPolarHBondContact CB-O 3.18Å; I88-I195 PolarHBondContact N-O 3.27Å; I88-I195 PolarHBondContact O-N 3.48Å; I88-I197 HydrophobicContact CD1-CD1 3.65Å; I88-I197 HydrophobicContact CD1-CG1 4.2Å; I88-I266 HydrophobicContact CD1-CD1 3.4Å; I88-I266 HydrophobicContact CG2-CG2 4.43Å
89H76.4Confident71.9Confident37 Ų3742.1 Ų42.117%0.17122%0.223CC..EExtended strand (participates in β ladder)trans-121.8143.7177.2-42.7118.1000109.6E51 I52 T53 I54 V87E51-H89 IonicContact OE2-CE1 2.7Å; I52-H89 PolarHBondContact O-N 3.29Å; T53-H89 WeakPolarHBondContact CA-O 3.33Å; I54-H89 PolarHBondContact N-O 2.78Å; V87-H89 WeakPolarHBondContact CG1-NE2 3.31Å
90P68.1Low73Confident19 Ų1944.2 Ų44.212%0.12325%0.246CC..EExtended strand (participates in β ladder)trans-67.1154.916430.8-34.7000110.7W107 L109 R193P90-W107 HydrophobicContact CB-CB 4.21Å; P90-W107 WeakPolarHBondContact CB-O 3.41Å; P90-W107 WeakPolarHBondContact CG-O 3.42Å; P90-L109 HydrophobicContact CB-CD2 4.06Å; P90-L109 HydrophobicContact CB-CG 4.37Å; P90-R193 WeakPolarHBondContact CD-O 3.16Å
91S61.4Low73.6Confident16 Ų1644.5 Ų44.511%0.11225%0.249CC..SBendtrans-75.7132.7174.5-710000112.8T53 I54 R55T53-S91 WeakPolarHBondContact CG2-OG 3.49Å; I54-S91 VanDerWaalsContact O-CB 3.23Å; I54-S91 WeakPolarHBondContact O-CB 3.24Å; I54-S91 PolarHBondContact O-N 3.48Å; I54-S91 PolarHBondContact O-OG 3.17Å; R55-S91 WeakPolarHBondContact CA-OG 3.48Å; R55-S91 WeakPolarHBondContact CG-OG 3.43Å; R55-S91 PolarHBondContact N-OG 3.08Å
92G58.7Low74.4Confident66 Ų6644.8 Ų44.868%0.6825%0.253SS*.SBendtrans86-166.7176.400000112.5
93R59.7Low74.8Confident162 Ų16247 Ų4761%0.61126%0.264SS*.  trans-79.6139.6176.5-66.1-177.3178.6175.4-2.8109.5V95 D156R93-V95 HydrophobicContact CB-CG2 4.25Å; R93-V95 PolarHBondContact O-N 3.42Å; R93-D156 IonicContact NH1-OD2 3.81Å; R93-D156 PolarHBondContact NH1-OD2 3.42Å
94F64.1Low74.9Confident40 Ų4046.6 Ų46.618%0.17526%0.261CS..  trans-64.4115.2158.7171.5-94.6000107.5K96 L105 L108 E136F94-K96 HydrophobicContact CE1-CB 4.01Å; F94-K96 HydrophobicContact CZ-CB 4.33Å; F94-L105 HydrophobicContact CE2-CB 4.45Å; F94-L105 HydrophobicContact CZ-CD2 3.97Å; F94-L108 HydrophobicContact CD2-CD2 3.98Å; F94-L108 HydrophobicContact CE2-CD2 3.56Å; F94-L108 HydrophobicContact CE2-CG 4.04Å; F94-E136 HydrophobicContact CE1-CG 4.45Å; F94-E136 HydrophobicContact CZ-CB 4.38Å; F94-E136 HydrophobicContact CZ-CG 3.97Å
95V67.7Low74.9Confident36 Ų3645.1 Ų45.122%0.21825%0.251CS..  trans-109.1140.6175.8-177.40000108.1R93 R97 F106R93-V95 HydrophobicContact CB-CG2 4.25Å; R93-V95 PolarHBondContact O-N 3.42Å; V95-R97 HydrophobicContact CG1-CG 3.96Å; V95-F106 HydrophobicContact CB-CB 4.03Å; V95-F106 HydrophobicContact CB-CD2 3.9Å; V95-F106 HydrophobicContact CB-CG 4.22Å; V95-F106 HydrophobicContact CG1-CD2 4.04Å; V95-F106 WeakPolarHBondContact O-CB 3.44Å; V95-F106 WeakPolarHBondContact O-CD2 2.84Å; V95-F106 PolarHBondContact O-N 2.99Å
96K75.3Confident74.9Confident69 Ų6944.5 Ų44.530%0.324%0.244SC..EExtended strand (participates in β ladder)trans-123.7120.1172.1169.6174.7177.5-177.80107.2F94 L103 L105F94-K96 HydrophobicContact CE1-CB 4.01Å; F94-K96 HydrophobicContact CZ-CB 4.33Å; K96-L103 HydrophobicContact CG-CD2 4.5Å; K96-L105 HydrophobicContact CB-CD2 3.94Å; K96-L105 HydrophobicContact CD-CD2 3.96Å; K96-L105 HydrophobicContact CG-CD2 3.66Å
97R77.6Confident74.6Confident96 Ų9646.1 Ų46.136%0.36225%0.251SS..EExtended strand (participates in β ladder)trans-115.3127.1175.6-67.2-168.3168.7-168-6110.4V95 F99 A104 F106V95-R97 HydrophobicContact CG1-CG 3.96Å; R97-F99 HydrophobicContact CB-CD2 4.38Å; R97-F99 HydrophobicContact CB-CE2 3.7Å; R97-F99 HydrophobicContact CB-CZ 4.16Å; R97-A104 PolarHBondContact N-O 3.45Å; R97-A104 PolarHBondContact O-N 2.84Å; R97-F106 HydrophobicContact CB-CE2 4.11Å; R97-F106 HydrophobicContact CG-CE2 3.98Å
98S78.7Confident74.5Confident62 Ų6245.1 Ų45.143%0.43424%0.244SC..EExtended strand (participates in β ladder)trans-84.8128.5169.451.10000110.5
99F80.3Confident74.5Confident45 Ų4545.2 Ų45.220%0.19725%0.245CC..EExtended strand (participates in β ladder)trans-116.3157.9170.2-65.3-85.4000108.8R97 E101 G102 A104 F276 L284 F288R97-F99 HydrophobicContact CB-CD2 4.38Å; R97-F99 HydrophobicContact CB-CE2 3.7Å; R97-F99 HydrophobicContact CB-CZ 4.16Å; F99-E101 WeakPolarHBondContact CB-OE2 3.32Å; F99-E101 PolarHBondContact O-N 3.46Å; F99-E101 VanDerWaalsContact O-N 3.1Å; F99-G102 CarbonylContact C-O 3.58Å; F99-G102 WeakPolarHBondContact CA-O 3.09Å; F99-G102 PolarHBondContact N-O 3.34Å; F99-G102 PolarHBondContact O-N 3.07Å; F99-A104 HydrophobicContact CD2-CB 4.07Å; F99-A104 HydrophobicContact CE2-CB 3.7Å; F99-F276 HydrophobicContact CB-CE1 3.83Å; F99-F276 HydrophobicContact CB-CZ 4.09Å; F99-F276 AromaticContact CD2-CE1 3.91Å; F99-F276 HydrophobicContact CD2-CE1 3.91Å; F99-F276 AromaticContact CD2-CZ 3.99Å; F99-F276 HydrophobicContact CD2-CZ 3.99Å; F99-F276 HydrophobicContact CG-CE1 4.03Å; F99-F276 HydrophobicContact CG-CZ 4.39Å; F99-L284 HydrophobicContact CD2-CD1 4.43Å; F99-L284 HydrophobicContact CE1-CD1 4.46Å; F99-L284 HydrophobicContact CE1-CD2 3.82Å; F99-L284 HydrophobicContact CE2-CD1 4.22Å; F99-L284 HydrophobicContact CE2-CD2 4.44Å; F99-L284 HydrophobicContact CZ-CD1 4.24Å; F99-L284 HydrophobicContact CZ-CD2 3.7Å; F99-F288 HydrophobicContact CZ-CE2 4.44Å
100P78.9Confident74.5Confident137 Ų13744.9 Ų44.989%0.8924%0.242SC*.THydrogen-bonded Turntrans-51.7-31.2173-28.135.4000114
101E80.7Confident75.2Confident57 Ų5744 Ų4427%0.26624%0.236SC..THydrogen-bonded Turntrans-79.4-23.5179.5-52.395.5126.300113.7F99 G274 N275 F276 R280F99-E101 WeakPolarHBondContact CB-OE2 3.32Å; F99-E101 PolarHBondContact O-N 3.46Å; F99-E101 VanDerWaalsContact O-N 3.1Å; E101-G274 CarbonylContact O-C 3.58Å; E101-N275 PolarHBondContact O-N 3.42Å; E101-F276 HydrophobicContact CB-CD1 3.76Å; E101-F276 HydrophobicContact CB-CE1 4Å; E101-F276 HydrophobicContact CB-CG 4.1Å; E101-F276 HydrophobicContact CG-CD1 4.46Å; E101-R280 WeakPolarHBondContact OE1-CG 3.4Å; E101-R280 IonicContact OE1-CZ 3.46Å; E101-R280 IonicContact OE1-NE 3.75Å; E101-R280 PolarHBondContact OE1-NE 3.4Å; E101-R280 IonicContact OE1-NH2 2.98Å; E101-R280 PolarHBondContact OE1-NH2 3.13Å
102G83.8Confident76.1Confident18 Ų1844 Ų4419%0.18624%0.235CC..EExtended strand (participates in β ladder)trans156.3-161-173.600000114.6F99 V273F99-G102 CarbonylContact C-O 3.58Å; F99-G102 WeakPolarHBondContact CA-O 3.09Å; F99-G102 PolarHBondContact N-O 3.34Å; F99-G102 PolarHBondContact O-N 3.07Å; G102-V273 CarbonylContact C-O 3.53Å; G102-V273 WeakPolarHBondContact CA-O 3.13Å
103L81.4Confident77.2Confident46 Ų4640.8 Ų40.824%0.24120%0.202CC..EExtended strand (participates in β ladder)trans-103.1134.2176.9-60.9168.9000111K96 V273 F276K96-L103 HydrophobicContact CG-CD2 4.5Å; L103-V273 HydrophobicContact CB-CB 4.37Å; L103-V273 PolarHBondContact N-O 3.46Å; L103-V273 PolarHBondContact O-N 3.4Å; L103-F276 WeakPolarHBondContact O-CE2 3.37Å
104A80.4Confident78.2Confident0 Ų036.5 Ų36.50%019%0.189CC..EExtended strand (participates in β ladder)trans-104.9135.2162.700000109.7R97 F99 F106 M270 F272R97-A104 PolarHBondContact N-O 3.45Å; R97-A104 PolarHBondContact O-N 2.84Å; F99-A104 HydrophobicContact CD2-CB 4.07Å; F99-A104 HydrophobicContact CE2-CB 3.7Å; A104-F106 HydrophobicContact CB-CE2 3.99Å; A104-F106 HydrophobicContact CB-CZ 4.13Å; A104-M270 HydrophobicContact CB-SD 4.13Å; A104-F272 HydrophobicContact CB-CD1 3.97Å; A104-F272 HydrophobicContact CB-CE1 3.96Å
105L80.1Confident79.1Confident3 Ų334.6 Ų34.62%0.01618%0.181CC..EExtended strand (participates in β ladder)trans-124.2117.2-172.1-57.5166000108.6F94 K96 L108 Y191 M270 I271 V273F94-L105 HydrophobicContact CE2-CB 4.45Å; F94-L105 HydrophobicContact CZ-CD2 3.97Å; K96-L105 HydrophobicContact CB-CD2 3.94Å; K96-L105 HydrophobicContact CD-CD2 3.96Å; K96-L105 HydrophobicContact CG-CD2 3.66Å; L105-L108 HydrophobicContact CB-CD1 3.71Å; L105-L108 HydrophobicContact CB-CG 4.41Å; L105-L108 HydrophobicContact CD1-CD1 4.18Å; L105-Y191 HydrophobicContact CD1-CD1 3.76Å; L105-Y191 HydrophobicContact CD1-CE1 3.35Å; L105-M270 VanDerWaalsContact O-CA 3.31Å; L105-M270 WeakPolarHBondContact O-CA 3.45Å; L105-I271 PolarHBondContact N-O 3.31Å; L105-I271 PolarHBondContact O-N 3.46Å; L105-V273 HydrophobicContact CD1-CG2 3.71Å
106F77.7Confident79.6Confident4 Ų434.6 Ų34.62%0.01818%0.181CC..EExtended strand (participates in β ladder)trans-94.7135.5-169-67.2-86000112V95 R97 A104 L108 M270 F288V95-F106 HydrophobicContact CB-CB 4.03Å; V95-F106 HydrophobicContact CB-CD2 3.9Å; V95-F106 HydrophobicContact CB-CG 4.22Å; V95-F106 HydrophobicContact CG1-CD2 4.04Å; V95-F106 WeakPolarHBondContact O-CB 3.44Å; V95-F106 WeakPolarHBondContact O-CD2 2.84Å; V95-F106 PolarHBondContact O-N 2.99Å; R97-F106 HydrophobicContact CB-CE2 4.11Å; R97-F106 HydrophobicContact CG-CE2 3.98Å; A104-F106 HydrophobicContact CB-CE2 3.99Å; A104-F106 HydrophobicContact CB-CZ 4.13Å; F106-L108 PolarHBondContact O-N 3.04Å; F106-M270 HydrophobicContact CD1-CG 4.49Å; F106-M270 HydrophobicContact CD1-SD 3.79Å; F106-M270 HydrophobicContact CE1-CE 4.02Å; F106-M270 HydrophobicContact CE1-CG 4.42Å; F106-M270 HydrophobicContact CE1-SD 3.19Å; F106-M270 WeakPolarHBondContact CE1-SD 3.43Å; F106-M270 HydrophobicContact CE2-SD 4.38Å; F106-M270 HydrophobicContact CZ-SD 3.54Å; F106-M270 VanDerWaalsContact CZ-SD 3.54Å; F106-F288 HydrophobicContact CD1-CB 4.39Å; F106-F288 HydrophobicContact CD1-CG 4.29Å; F106-F288 HydrophobicContact CE1-CB 3.68Å; F106-F288 AromaticContact CE1-CD1 3.78Å; F106-F288 HydrophobicContact CE1-CD1 3.78Å; F106-F288 AromaticContact CE1-CD2 3.33Å; F106-F288 HydrophobicContact CE1-CD2 3.33Å; F106-F288 HydrophobicContact CE1-CE1 4.25Å; F106-F288 AromaticContact CE1-CE2 3.88Å; F106-F288 HydrophobicContact CE1-CE2 3.88Å; F106-F288 AromaticContact CE1-CG 3.3Å; F106-F288 HydrophobicContact CE1-CG 3.3Å; F106-F288 HydrophobicContact CE1-CZ 4.31Å; F106-F288 HydrophobicContact CE2-CE2 4.48Å; F106-F288 HydrophobicContact CZ-CD1 4.09Å; F106-F288 AromaticContact CZ-CD2 3.39Å; F106-F288 HydrophobicContact CZ-CD2 3.39Å; F106-F288 HydrophobicContact CZ-CE1 4.1Å; F106-F288 AromaticContact CZ-CE2 3.42Å; F106-F288 HydrophobicContact CZ-CE2 3.42Å; F106-F288 VanDerWaalsContact CZ-CE2 3.42Å; F106-F288 AromaticContact CZ-CG 3.77Å; F106-F288 HydrophobicContact CZ-CG 3.77Å; F106-F288 AromaticContact CZ-CZ 3.79Å; F106-F288 HydrophobicContact CZ-CZ 3.79Å
107W74.5Confident79.6Confident34 Ų3431.5 Ų31.513%0.12917%0.168CC..EExtended strand (participates in β ladder)trans57.842.4170.4-45.8131.4000114.5P90 S268 H269 Q347P90-W107 HydrophobicContact CB-CB 4.21Å; P90-W107 WeakPolarHBondContact CB-O 3.41Å; P90-W107 WeakPolarHBondContact CG-O 3.42Å; W107-S268 VanDerWaalsContact CA-OG 3.22Å; W107-S268 WeakPolarHBondContact CA-OG 3.44Å; W107-S268 WeakPolarHBondContact CB-OG 3.05Å; W107-H269 CarbonylContact C-O 3.58Å; W107-H269 WeakPolarHBondContact CA-O 3.27Å; W107-H269 PolarHBondContact N-O 3.11Å; W107-Q347 HydrophobicContact CE3-CB 3.96Å; W107-Q347 HydrophobicContact CE3-CG 4.17Å; W107-Q347 HydrophobicContact CH2-CB 3.76Å; W107-Q347 HydrophobicContact CH2-CG 3.53Å; W107-Q347 HydrophobicContact CZ2-CG 4.02Å; W107-Q347 HydrophobicContact CZ3-CB 3.35Å; W107-Q347 HydrophobicContact CZ3-CG 3.62Å
108L77.8Confident79.4Confident0 Ų027.9 Ų27.90%016%0.157CC..EExtended strand (participates in β ladder)trans-70.9143.4167.6-73.3172.5000110.6F94 L105 F106 Y191 S268 H269 I271F94-L108 HydrophobicContact CD2-CD2 3.98Å; F94-L108 HydrophobicContact CE2-CD2 3.56Å; F94-L108 HydrophobicContact CE2-CG 4.04Å; L105-L108 HydrophobicContact CB-CD1 3.71Å; L105-L108 HydrophobicContact CB-CG 4.41Å; L105-L108 HydrophobicContact CD1-CD1 4.18Å; F106-L108 PolarHBondContact O-N 3.04Å; L108-Y191 HydrophobicContact CD1-CD1 4.42Å; L108-S268 WeakPolarHBondContact O-CA 3.28Å; L108-H269 PolarHBondContact N-O 3.24Å; L108-H269 PolarHBondContact O-N 2.99Å; L108-I271 HydrophobicContact CB-CD1 4.33Å; L108-I271 HydrophobicContact CB-CG1 4.49Å; L108-I271 HydrophobicContact CD1-CB 4.05Å; L108-I271 HydrophobicContact CD1-CD1 3.71Å; L108-I271 HydrophobicContact CD1-CG1 3.89Å
109L80.9Confident78.9Confident2 Ų233.8 Ų33.81%0.0118%0.175CC..EExtended strand (participates in β ladder)trans-75.6144.8176-64174000110.8I54 I88 P90 L192 I195 I266I54-L109 HydrophobicContact CD1-CD2 4.38Å; I88-L109 HydrophobicContact CG2-CD1 3.98Å; I88-L109 HydrophobicContact CG2-CD2 4.21Å; P90-L109 HydrophobicContact CB-CD2 4.06Å; P90-L109 HydrophobicContact CB-CG 4.37Å; L109-L192 HydrophobicContact CB-CB 3.95Å; L109-L192 PolarHBondContact N-O 3.31Å; L109-L192 WeakPolarHBondContact O-CB 3.25Å; L109-I195 HydrophobicContact CB-CD1 4.03Å; L109-I195 HydrophobicContact CD1-CB 4.45Å; L109-I195 HydrophobicContact CD1-CD1 4.15Å; L109-I195 HydrophobicContact CD1-CG1 3.93Å; L109-I266 HydrophobicContact CD2-CG2 4.18Å
110R77.8Confident78.2Confident30 Ų3036 Ų3611%0.11319%0.189CC..EExtended strand (participates in β ladder)trans-126.6132.9163.8-179.1178.3175.2-162.8-8.2108.1N112 L188 I266 S267 D372R110-N112 PolarHBondContact NE-OD1 3.06Å; R110-L188 CarbonylContact C-O 3.59Å; R110-L188 WeakPolarHBondContact CA-O 3.29Å; R110-I266 CarbonylContact O-C 3.53Å; R110-I266 VanDerWaalsContact O-CA 3.24Å; R110-I266 WeakPolarHBondContact O-CA 3.42Å; R110-I266 WeakPolarHBondContact O-CG2 3.4Å; R110-S267 PolarHBondContact N-O 3.37Å; R110-S267 PolarHBondContact O-N 3.4Å; R110-D372 IonicContact CZ-OD1 2.86Å; R110-D372 IonicContact CZ-OD2 2.73Å; R110-D372 IonicContact NH1-OD1 3.89Å; R110-D372 PolarHBondContact NH1-OD1 2.78Å; R110-D372 IonicContact NH1-OD2 3.57Å; R110-D372 PolarHBondContact NH1-OD2 2.93Å; R110-D372 IonicContact NH2-OD1 2.99Å; R110-D372 PolarHBondContact NH2-OD1 2.97Å; R110-D372 IonicContact NH2-OD2 2.92Å; R110-D372 PolarHBondContact NH2-OD2 3.01Å; R110-D372 VanDerWaalsContact NH2-OD2 3.14Å
111A81.7Confident77.1Confident0 Ų033.7 Ų33.70%017%0.172CC..EExtended strand (participates in β ladder)trans-123.8114.4176.900000111.3L188 I195 R265 I266A111-L188 HydrophobicContact CB-CB 4.17Å; A111-L188 HydrophobicContact CB-CD1 4.38Å; A111-L188 PolarHBondContact N-O 3.07Å; A111-L188 PolarHBondContact O-N 3.05Å; A111-I195 HydrophobicContact CB-CD1 3.76Å; A111-R265 CarbonylContact C-O 3.54Å; A111-R265 WeakPolarHBondContact CA-O 3.32Å; A111-I266 HydrophobicContact CB-CD1 4.02Å; A111-I266 HydrophobicContact CB-CG1 3.69Å
112N80.2Confident75.9Confident16 Ų1638.7 Ų38.79%0.08620%0.195CC..EExtended strand (participates in β ladder)trans-97.7126.4171.5-65.1-28.4000108.6R110 S187 R265R110-N112 PolarHBondContact NE-OD1 3.06Å; N112-S187 PolarHBondContact OD1-OG 3.24Å; N112-R265 PolarHBondContact N-O 3.11Å; N112-R265 PolarHBondContact O-N 3.4Å
113I82.2Confident74.4Confident0 Ų038.9 Ų38.90%019%0.192CC..EExtended strand (participates in β ladder)trans-126.5114.1-171.5-56-175.7000108.7L129 L131 I173 H185 W186 L188 L263 V264I113-L129 HydrophobicContact CG2-CD2 4.06Å; I113-L131 HydrophobicContact CD1-CD1 3.25Å; I113-L131 HydrophobicContact CD1-CD2 3.53Å; I113-L131 HydrophobicContact CD1-CG 4.02Å; I113-I173 HydrophobicContact CD1-CD1 4.47Å; I113-I173 HydrophobicContact CG2-CD1 3.97Å; I113-H185 CarbonylContact O-C 3.54Å; I113-H185 WeakPolarHBondContact O-CA 3.28Å; I113-W186 HydrophobicContact CB-CB 4.37Å; I113-W186 HydrophobicContact CG2-CE3 4.42Å; I113-W186 PolarHBondContact N-O 2.91Å; I113-W186 PolarHBondContact O-N 2.95Å; I113-L188 HydrophobicContact CD1-CD1 4.24Å; I113-L263 WeakPolarHBondContact CA-O 3.36Å; I113-V264 HydrophobicContact CD1-CG1 4.43Å; I113-V264 HydrophobicContact CD1-CG2 4.38Å; I113-V264 HydrophobicContact CG1-CB 4.48Å; I113-V264 HydrophobicContact CG1-CG1 4.1Å; I113-V264 HydrophobicContact CG1-CG2 4.12Å; I113-V264 HydrophobicContact CG2-CG2 4.04Å
114H80.5Confident73Confident71 Ų7138.6 Ų38.633%0.32919%0.194SC..EExtended strand (participates in β ladder)trans-107.1124.2174.1179.9-87.2000109.7T116 S183 L263H114-T116 PolarHBondContact CE1-OG1 2.93Å; H114-T116 VanDerWaalsContact CE1-OG1 3.28Å; H114-S183 PolarHBondContact CE1-OG 3.39Å; H114-S183 PolarHBondContact NE2-OG 3.28Å; H114-L263 HydrophobicContact CB-CB 4.33Å; H114-L263 PolarHBondContact N-O 3.38Å; H114-L263 PolarHBondContact O-N 3.19Å
115F82.2Confident71.6Confident0 Ų047 Ų470%023%0.233CC..EExtended strand (participates in β ladder)trans-133.1121.2-172.3174.9-126.1000110.6C117 I173 C175 S183 N184 W186 I260 K261 F262F115-C117 WeakPolarHBondContact CE1-SG 3.46Å; F115-C117 WeakPolarHBondContact CZ-SG 3.34Å; F115-I173 HydrophobicContact CB-CG2 4.46Å; F115-I173 HydrophobicContact CD1-CG2 3.46Å; F115-I173 VanDerWaalsContact CD1-CG2 3.46Å; F115-I173 HydrophobicContact CD2-CG2 4.36Å; F115-I173 HydrophobicContact CE1-CG2 3.5Å; F115-I173 VanDerWaalsContact CE1-CG2 3.5Å; F115-I173 HydrophobicContact CE2-CG2 4.42Å; F115-I173 HydrophobicContact CG-CG2 3.86Å; F115-I173 HydrophobicContact CZ-CG2 3.98Å; F115-C175 HydrophobicContact CZ-CB 4.49Å; F115-C175 WeakPolarHBondContact CZ-SG 3.47Å; F115-S183 CarbonylContact O-C 3.6Å; F115-S183 WeakPolarHBondContact O-CA 3.46Å; F115-N184 PolarHBondContact N-O 3.14Å; F115-N184 PolarHBondContact O-N 2.67Å; F115-W186 HydrophobicContact CB-CE3 4.31Å; F115-W186 HydrophobicContact CB-CZ3 3.62Å; F115-W186 AromaticContact CD1-CH2 3.76Å; F115-W186 HydrophobicContact CD1-CH2 3.76Å; F115-W186 AromaticContact CD1-CZ3 3.56Å; F115-W186 HydrophobicContact CD1-CZ3 3.56Å; F115-W186 HydrophobicContact CE1-CH2 4.45Å; F115-W186 AromaticContact CG-CZ3 3.99Å; F115-W186 HydrophobicContact CG-CZ3 3.99Å; F115-I260 HydrophobicContact CD2-CG2 4.34Å; F115-I260 HydrophobicContact CE2-CG2 3.72Å; F115-K261 CarbonylContact C-O 3.58Å; F115-K261 WeakPolarHBondContact CA-O 3.41Å; F115-F262 AromaticContact CD2-CD1 3.38Å; F115-F262 HydrophobicContact CD2-CD1 3.38Å; F115-F262 AromaticContact CD2-CE1 3.25Å; F115-F262 HydrophobicContact CD2-CE1 3.25Å; F115-F262 HydrophobicContact CD2-CG 4.11Å; F115-F262 AromaticContact CD2-CZ 3.9Å; F115-F262 HydrophobicContact CD2-CZ 3.9Å; F115-F262 AromaticContact CE2-CD1 3.77Å; F115-F262 HydrophobicContact CE2-CD1 3.77Å; F115-F262 AromaticContact CE2-CE1 3.14Å; F115-F262 HydrophobicContact CE2-CE1 3.14Å; F115-F262 HydrophobicContact CE2-CE2 4.07Å; F115-F262 HydrophobicContact CE2-CG 4.46Å; F115-F262 AromaticContact CE2-CZ 3.33Å; F115-F262 HydrophobicContact CE2-CZ 3.33Å; F115-F262 HydrophobicContact CG-CD1 4.32Å; F115-F262 HydrophobicContact CG-CE1 4.25Å; F115-F262 HydrophobicContact CZ-CE1 4.04Å; F115-F262 HydrophobicContact CZ-CZ 4.2Å
116T78.1Confident70.5Confident36 Ų3647.7 Ų47.722%0.22124%0.238CC..EExtended strand (participates in β ladder)trans-113.2121.6177.3-46.50000109.8H114 S183 I260 K261H114-T116 PolarHBondContact CE1-OG1 2.93Å; H114-T116 VanDerWaalsContact CE1-OG1 3.28Å; T116-S183 PolarHBondContact OG1-OG 2.81Å; T116-I260 WeakPolarHBondContact O-CA 3.34Å; T116-K261 PolarHBondContact N-O 3.49Å; T116-K261 PolarHBondContact O-N 3.32Å; T116-K261 VanDerWaalsContact O-N 3.09Å
117C77.1Confident70.2Confident4 Ų448 Ų483%0.02724%0.24CC..  trans-89.4142.8172-74.10000111.3F115 C175 Y179 G181 Q182F115-C117 WeakPolarHBondContact CE1-SG 3.46Å; F115-C117 WeakPolarHBondContact CZ-SG 3.34Å; C117-C175 HydrophobicContact CB-CB 4.05Å; C117-C175 WeakPolarHBondContact CB-SG 3.29Å; C117-C175 WeakPolarHBondContact SG-CA 3.44Å; C117-C175 WeakPolarHBondContact SG-CB 3.26Å; C117-C175 CovalentContact SG-SG 2.05Å; C117-C175 PolarHBondContact SG-SG 2.96Å; C117-Y179 VanDerWaalsContact CB-O 3.3Å; C117-Y179 WeakPolarHBondContact CB-O 3.46Å; C117-G181 WeakPolarHBondContact O-CA 3.24Å; C117-G181 PolarHBondContact O-N 3.01Å; C117-Q182 PolarHBondContact N-O 3.34Å
118P72.1Confident70.2Confident21 Ų2150.3 Ų50.314%0.13625%0.249CC..  trans-63156.7171.231-39.4000110.6N120 L123 V180 G181 S258 I260P118-N120 PolarHBondContact O-N 3.16Å; P118-L123 HydrophobicContact CG-CD1 3.97Å; P118-V180 WeakPolarHBondContact O-CG1 3.38Å; P118-G181 PolarHBondContact O-N 3.49Å; P118-S258 VanDerWaalsContact CB-O 3.3Å; P118-S258 WeakPolarHBondContact CB-O 3.39Å; P118-S258 VanDerWaalsContact CG-O 3.23Å; P118-S258 WeakPolarHBondContact CG-O 3.46Å; P118-I260 VanDerWaalsContact CD-CG1 3.43Å; P118-I260 HydrophobicContact CG-CG1 4.08Å
119K69Low70.4Confident185 Ų18550.4 Ų50.480%0.80425%0.249SC*.SBendtrans-71.9-9.2172.1-66.8-175.1177.1-175.10113.8
120N64.6Low70.5Confident92 Ų9252.4 Ų52.449%0.49226%0.259SS..  trans-87.2114.7-175.7-165.60.8000110.4P118 H122P118-N120 PolarHBondContact O-N 3.16Å; N120-H122 VanDerWaalsContact C-N 3.26Å; N120-H122 PolarHBondContact O-N 2.95Å; N120-H122 PolarHBondContact OD1-CD2 2.89Å
121T55.9Low70.7Confident88 Ų8851 Ų5154%0.5425%0.253SS..G310 helixtrans-67.9-19.7-173.846.40000114.2L123 S124 V180T121-L123 PolarHBondContact O-N 3.17Å; T121-S124 PolarHBondContact O-N 3Å; T121-V180 HydrophobicContact CG2-CG1 3.94Å
122H55.2Low70.7Confident162 Ų16251.9 Ų51.975%0.7526%0.257SS*.G310 helixtrans-65.76.3-178.1-72.5-75.8000115.6N120N120-H122 VanDerWaalsContact C-N 3.26Å; N120-H122 PolarHBondContact O-N 2.95Å; N120-H122 PolarHBondContact OD1-CD2 2.89Å
123L54.2Low70.8Confident23 Ų2351.4 Ų51.412%0.1226%0.255CS..G310 helixtrans-123.116.1-174.9-58.8172.6000113.1P118 T121 S126 F127P118-L123 HydrophobicContact CG-CD1 3.97Å; T121-L123 PolarHBondContact O-N 3.17Å; L123-S126 VanDerWaalsContact C-OG 3.31Å; L123-S126 WeakPolarHBondContact CA-OG 3.35Å; L123-S126 PolarHBondContact O-OG 3.39Å; L123-S126 VanDerWaalsContact O-OG 3.12Å; L123-F127 HydrophobicContact CB-CD2 4.24Å; L123-F127 HydrophobicContact CB-CE2 3.96Å; L123-F127 HydrophobicContact CD2-CE2 3.95Å; L123-F127 HydrophobicContact CG-CE2 4.4Å; L123-F127 WeakPolarHBondContact O-CD2 3.43Å
124S51.8Low70.8Confident40 Ų4052.2 Ų52.228%0.2826%0.258SS..THydrogen-bonded Turntrans-75.3-31.8-166.957.10000116T121 C175T121-S124 PolarHBondContact O-N 3Å; S124-C175 WeakPolarHBondContact CA-O 3.03Å; S124-C175 WeakPolarHBondContact CB-O 3.48Å; S124-C175 CarbonylContact O-C 3.56Å
125E50.5Low70.7Confident176 Ų17651.1 Ų51.182%0.82225%0.254SS*.THydrogen-bonded Turntrans-97.86-177-63.8-176.3176.400113.2
126S57.6Low70Confident17 Ų1752 Ų5212%0.11926%0.258CS..SBendtrans-108.3-16.1-166.622.30000115.5L123 R202L123-S126 VanDerWaalsContact C-OG 3.31Å; L123-S126 WeakPolarHBondContact CA-OG 3.35Å; L123-S126 PolarHBondContact O-OG 3.39Å; L123-S126 VanDerWaalsContact O-OG 3.12Å; S126-R202 WeakPolarHBondContact CB-O 3.06Å; S126-R202 WeakPolarHBondContact O-CA 3.42Å; S126-R202 VanDerWaalsContact O-CB 3.24Å; S126-R202 WeakPolarHBondContact O-CB 3.07Å; S126-R202 PolarHBondContact O-N 2.83Å
127F69.4Low69.1Low12 Ų1254 Ų545%0.05327%0.274CS..EExtended strand (participates in β ladder)trans-128122.3-171.8-61.4-92.9000111.3L123 N174 L201 N203 I260L123-F127 HydrophobicContact CB-CD2 4.24Å; L123-F127 HydrophobicContact CB-CE2 3.96Å; L123-F127 HydrophobicContact CD2-CE2 3.95Å; L123-F127 HydrophobicContact CG-CE2 4.4Å; L123-F127 WeakPolarHBondContact O-CD2 3.43Å; F127-N174 WeakPolarHBondContact O-CA 3.13Å; F127-N174 WeakPolarHBondContact O-CB 3.31Å; F127-L201 HydrophobicContact CD1-CB 4.04Å; F127-L201 HydrophobicContact CD1-CD2 3.64Å; F127-L201 HydrophobicContact CD1-CG 4.44Å; F127-L201 HydrophobicContact CE1-CB 3.98Å; F127-L201 HydrophobicContact CE1-CD2 4.24Å; F127-N203 HydrophobicContact CZ-CB 4.43Å; F127-I260 HydrophobicContact CB-CD1 3.74Å; F127-I260 HydrophobicContact CD1-CD1 3.38Å; F127-I260 HydrophobicContact CD2-CD1 3.5Å; F127-I260 VanDerWaalsContact CD2-CD1 3.5Å; F127-I260 HydrophobicContact CE1-CD1 3.82Å; F127-I260 HydrophobicContact CE2-CD1 3.94Å; F127-I260 HydrophobicContact CG-CD1 3.21Å; F127-I260 HydrophobicContact CZ-CD1 4.09Å
128Y75.6Confident67.9Low82 Ų8258.8 Ų58.832%0.32230%0.298SS..EExtended strand (participates in β ladder)trans-137147.5170.873.7-103.2000113.7Q130 L172 I173 W199 K200Y128-Q130 HydrophobicContact CD2-CB 4.06Å; Y128-Q130 HydrophobicContact CE2-CB 4.15Å; Y128-L172 HydrophobicContact CD2-CD1 3.71Å; Y128-L172 HydrophobicContact CG-CD1 3.92Å; Y128-I173 CarbonylContact C-O 3.55Å; Y128-I173 WeakPolarHBondContact CA-O 3.46Å; Y128-W199 CarbonylContact O-C 3.57Å; Y128-W199 VanDerWaalsContact O-CA 3.25Å; Y128-W199 WeakPolarHBondContact O-CA 3.39Å; Y128-W199 WeakPolarHBondContact O-CB 3.44Å; Y128-K200 HydrophobicContact CD1-CB 3.9Å; Y128-K200 HydrophobicContact CD2-CB 4.47Å; Y128-K200 HydrophobicContact CE1-CB 3.41Å; Y128-K200 VanDerWaalsContact CE1-CB 3.41Å; Y128-K200 HydrophobicContact CE1-CD 3.66Å; Y128-K200 HydrophobicContact CE1-CG 4.13Å; Y128-K200 HydrophobicContact CE2-CB 4.02Å; Y128-K200 HydrophobicContact CG-CB 4.41Å; Y128-K200 VanDerWaalsContact CZ-CB 3.46Å; Y128-K200 PolarHBondContact N-O 3.12Å; Y128-K200 PolarHBondContact O-N 3.19Å
129L81.3Confident66.5Low1 Ų165.9 Ų65.91%0.00533%0.329CS..EExtended strand (participates in β ladder)trans-117.6121.2165.3174.671.7000106.5I113 L131 I173 I197 W199 F262 V264I113-L129 HydrophobicContact CG2-CD2 4.06Å; L129-L131 HydrophobicContact CD2-CD1 4.44Å; L129-L131 HydrophobicContact CG-CD1 4.48Å; L129-I173 HydrophobicContact CB-CB 4.23Å; L129-I173 HydrophobicContact CB-CG2 4.48Å; L129-I173 HydrophobicContact CD2-CD1 4.17Å; L129-I173 PolarHBondContact N-O 3.01Å; L129-I173 WeakPolarHBondContact O-CB 3.46Å; L129-I173 PolarHBondContact O-N 2.89Å; L129-I197 HydrophobicContact CD1-CG2 3.48Å; L129-I197 VanDerWaalsContact CD1-CG2 3.48Å; L129-W199 HydrophobicContact CD1-CB 3.96Å; L129-W199 HydrophobicContact CD1-CE3 4.49Å; L129-F262 HydrophobicContact CB-CD1 4.16Å; L129-F262 HydrophobicContact CB-CE1 3.55Å; L129-F262 HydrophobicContact CB-CZ 4.25Å; L129-F262 HydrophobicContact CD2-CD1 3.83Å; L129-F262 HydrophobicContact CD2-CE1 4.07Å; L129-F262 HydrophobicContact CG-CE1 4.38Å; L129-V264 HydrophobicContact CD2-CG2 4.01Å
130Q83.2Confident65.1Low45 Ų4563.7 Ų63.721%0.2132%0.316CS..EExtended strand (participates in β ladder)trans-113129.4180164.4174-22.200108.6Y128 E132 I170 L171 L172 T198Y128-Q130 HydrophobicContact CD2-CB 4.06Å; Y128-Q130 HydrophobicContact CE2-CB 4.15Å; Q130-E132 HydrophobicContact CG-CG 4.35Å; Q130-E132 PolarHBondContact NE2-OE1 2.96Å; Q130-I170 HydrophobicContact CG-CG2 3.9Å; Q130-L171 WeakPolarHBondContact CA-O 3.05Å; Q130-L172 HydrophobicContact CB-CD1 3.94Å; Q130-T198 VanDerWaalsContact CB-OG1 3.3Å; Q130-T198 WeakPolarHBondContact CB-OG1 3.12Å; Q130-T198 WeakPolarHBondContact CG-OG1 3.18Å; Q130-T198 PolarHBondContact N-O 3.05Å; Q130-T198 PolarHBondContact O-N 3.27Å; Q130-T198 VanDerWaalsContact O-O 3.07Å; Q130-T198 PolarHBondContact O-OG1 3.41Å
131L82.6Confident63.6Low0 Ų064.7 Ų64.70%032%0.322CS..EExtended strand (participates in β ladder)trans-118.5111.4-179.5-62.9134.7000107.7I113 L129 I170 L171 I173 L188 I195 R196 I197I113-L131 HydrophobicContact CD1-CD1 3.25Å; I113-L131 HydrophobicContact CD1-CD2 3.53Å; I113-L131 HydrophobicContact CD1-CG 4.02Å; L129-L131 HydrophobicContact CD2-CD1 4.44Å; L129-L131 HydrophobicContact CG-CD1 4.48Å; L131-I170 CarbonylContact O-C 3.59Å; L131-I170 WeakPolarHBondContact O-CA 3.38Å; L131-L171 HydrophobicContact CB-CB 4.3Å; L131-L171 HydrophobicContact CD1-CB 4.42Å; L131-L171 HydrophobicContact CD1-CD2 3.98Å; L131-L171 HydrophobicContact CD1-CG 4.22Å; L131-L171 PolarHBondContact N-O 3.17Å; L131-L171 PolarHBondContact O-N 3.11Å; L131-I173 HydrophobicContact CD1-CD1 3.67Å; L131-L188 HydrophobicContact CB-CD1 4.48Å; L131-L188 HydrophobicContact CD1-CD1 4.35Å; L131-L188 HydrophobicContact CD2-CD1 4.48Å; L131-I195 HydrophobicContact CD2-CG2 4.16Å; L131-R196 WeakPolarHBondContact CA-O 3.41Å; L131-I197 HydrophobicContact CD2-CD1 4.26Å; L131-I197 HydrophobicContact CD2-CG1 4.07Å; L131-I197 HydrophobicContact CD2-CG2 4.19Å
132E81.4Confident62.7Low18 Ų1870 Ų708%0.08434%0.337CS..EExtended strand (participates in β ladder)trans-93.8124.7173.3-69.7162.7-158.800107.4Q130 W134 P167 I170 I195 R196Q130-E132 HydrophobicContact CG-CG 4.35Å; Q130-E132 PolarHBondContact NE2-OE1 2.96Å; E132-W134 HydrophobicContact CB-CH2 4.02Å; E132-W134 HydrophobicContact CB-CZ3 4Å; E132-W134 WeakPolarHBondContact O-CZ3 3.08Å; E132-P167 HydrophobicContact CB-CB 3.86Å; E132-P167 HydrophobicContact CB-CG 3.99Å; E132-P167 HydrophobicContact CG-CB 4.42Å; E132-P167 HydrophobicContact CG-CG 4Å; E132-I170 HydrophobicContact CG-CG1 4.28Å; E132-I170 HydrophobicContact CG-CG2 4.38Å; E132-I195 CarbonylContact O-C 3.55Å; E132-I195 WeakPolarHBondContact O-CA 3.23Å; E132-R196 HydrophobicContact CB-CB 4.12Å; E132-R196 PolarHBondContact N-O 3.38Å; E132-R196 PolarHBondContact O-N 3.01Å; E132-R196 IonicContact OE1-NH1 3.53Å; E132-R196 PolarHBondContact OE1-NH1 3.29Å; E132-R196 VanDerWaalsContact OE2-CD 3.29Å; E132-R196 WeakPolarHBondContact OE2-CD 3.34Å; E132-R196 IonicContact OE2-CZ 3.94Å; E132-R196 IonicContact OE2-NE 3.62Å; E132-R196 IonicContact OE2-NH1 2.59Å; E132-R196 PolarHBondContact OE2-NH1 2.82Å
133Q82.5Confident61.6Low7 Ų770.8 Ų70.83%0.03334%0.338CS..EExtended strand (participates in β ladder)trans-118.1136.3-171.5-57.7179.298.900109.6D168 E169 L188 L192Q133-D168 PolarHBondContact O-N 3.21Å; Q133-E169 HydrophobicContact CB-CB 4.29Å; Q133-E169 PolarHBondContact N-O 3.35Å; Q133-E169 PolarHBondContact NE2-OE2 3.16Å; Q133-E169 VanDerWaalsContact NE2-OE2 3.14Å; Q133-E169 PolarHBondContact O-N 3.4Å; Q133-L188 HydrophobicContact CG-CD1 4.5Å; Q133-L192 HydrophobicContact CB-CD2 4.09Å; Q133-L192 HydrophobicContact CG-CD2 4.31Å
134W81.1Confident60.5Low16 Ų1674 Ų746%0.06135%0.353CS..EExtended strand (participates in β ladder)trans-112.2128.7166-64.7-97.1000109.3E132 I163 G164 E166 P167 D168 R193 R194 R196E132-W134 HydrophobicContact CB-CH2 4.02Å; E132-W134 HydrophobicContact CB-CZ3 4Å; E132-W134 WeakPolarHBondContact O-CZ3 3.08Å; W134-I163 HydrophobicContact CB-CG2 3.98Å; W134-I163 HydrophobicContact CD2-CG2 4.15Å; W134-I163 HydrophobicContact CG-CG2 3.49Å; W134-I163 VanDerWaalsContact CG-CG2 3.49Å; W134-G164 PolarHBondContact NE1-O 3.46Å; W134-E166 PolarHBondContact NE1-O 2.86Å; W134-P167 HydrophobicContact CD2-CB 4.27Å; W134-P167 HydrophobicContact CH2-CB 4.22Å; W134-P167 HydrophobicContact CZ2-CB 3.92Å; W134-D168 VanDerWaalsContact CA-OD2 3.22Å; W134-D168 WeakPolarHBondContact CA-OD2 3.3Å; W134-R193 PolarHBondContact O-N 3.14Å; W134-R194 HydrophobicContact CB-CB 4.09Å; W134-R194 HydrophobicContact CD2-CB 4.11Å; W134-R194 HydrophobicContact CD2-CG 4.23Å; W134-R194 HydrophobicContact CE3-CB 3.68Å; W134-R194 HydrophobicContact CE3-CG 3.56Å; W134-R194 HydrophobicContact CG-CB 4.32Å; W134-R194 HydrophobicContact CZ3-CB 4.49Å; W134-R194 HydrophobicContact CZ3-CG 3.87Å; W134-R194 PolarHBondContact N-O 3.08Å; W134-R196 HydrophobicContact CH2-CB 3.83Å; W134-R196 HydrophobicContact CZ3-CB 3.59Å
135I78.5Confident59.5Low48 Ų4880.2 Ų80.225%0.24637%0.37CS..EExtended strand (participates in β ladder)trans-116.7133.6-166-55.4179.9000108.2S137 D168 E169 Y191 L192I135-S137 PolarHBondContact O-N 2.91Å; I135-D168 HydrophobicContact CB-CB 4.25Å; I135-D168 HydrophobicContact CD1-CB 4.26Å; I135-D168 HydrophobicContact CG1-CB 4.1Å; I135-D168 PolarHBondContact N-OD2 3.21Å; I135-E169 HydrophobicContact CD1-CB 4.13Å; I135-E169 VanDerWaalsContact CD1-CD 3.48Å; I135-E169 HydrophobicContact CD1-CG 3.65Å; I135-Y191 CarbonylContact C-O 3.6Å; I135-Y191 WeakPolarHBondContact CA-O 3.46Å; I135-L192 HydrophobicContact CG1-CD2 4.2Å
136E69.4Low58.6Low19 Ų1980.6 Ų80.69%0.08936%0.364CS..  trans-68.1122.2167.5165.471140.700109.6F94 L138 Y191 R193F94-E136 HydrophobicContact CE1-CG 4.45Å; F94-E136 HydrophobicContact CZ-CB 4.38Å; F94-E136 HydrophobicContact CZ-CG 3.97Å; E136-L138 PolarHBondContact O-N 3.05Å; E136-Y191 PolarHBondContact N-O 3.47Å; E136-Y191 WeakPolarHBondContact O-CB 3.3Å; E136-R193 HydrophobicContact CB-CG 4.38Å; E136-R193 VanDerWaalsContact CD-CZ 3.42Å; E136-R193 IonicContact OE1-CZ 3.34Å; E136-R193 IonicContact OE1-NH2 3.14Å; E136-R193 PolarHBondContact OE1-NH2 2.87Å; E136-R193 IonicContact OE2-CZ 2.95Å; E136-R193 IonicContact OE2-NE 2.77Å; E136-R193 IonicContact OE2-NH1 3.69Å; E136-R193 PolarHBondContact OE2-NH1 2.49Å; E136-R193 IonicContact OE2-NH2 3.49Å; E136-R193 PolarHBondContact OE2-NH2 3.42Å
137S58.7Low57.4Low79 Ų7987 Ų8755%0.55239%0.392SS*.  trans-68.8125.9179.960.20000110.3I135 E139I135-S137 PolarHBondContact O-N 2.91Å; S137-E139 PolarHBondContact O-N 3.38Å
138L50.4Low55.7Low103 Ų10389.1 Ų89.154%0.53940%0.404SS..  trans-75.30.4176.6-163.660.2000112.4E136 W140 Y191E136-L138 PolarHBondContact O-N 3.05Å; L138-W140 PolarHBondContact O-N 3.01Å; L138-Y191 HydrophobicContact CD1-CE1 3.87Å; L138-Y191 WeakPolarHBondContact CD1-OH 3.46Å
139E43.8Very low53.8Low170 Ų17087.5 Ų87.579%0.79441%0.408SS*.  trans-75.353.9-174.1-62.5-155.6153.200114.4S137 N141S137-E139 PolarHBondContact O-N 3.38Å; E139-N141 PolarHBondContact O-N 3.18Å
140W40.4Very low51.5Low140 Ų14093.9 Ų93.953%0.5344%0.441SS..  trans-75.5103.6148.7-155.1-81.7000108.3L138 K142 D148L138-W140 PolarHBondContact O-N 3.01Å; W140-K142 PolarHBondContact O-N 2.89Å; W140-D148 HydrophobicContact CZ2-CB 4.36Å
141N31.8Very low49.3Very low113 Ų113100.4 Ų100.460%0.60447%0.469SS*.  trans-46.7127.7179.6-111.9-64.2000111.4E139 K143 H144E139-N141 PolarHBondContact O-N 3.18Å; N141-K143 PolarHBondContact O-N 3.45Å; N141-H144 PolarHBondContact O-N 3.15Å
142K36.5Very low47.2Very low199 Ų199105.4 Ų105.487%0.86550%0.495SS*.THydrogen-bonded Turntrans-56.4-4.8-177.7-71.3-178176.8176.80115.2W140W140-K142 PolarHBondContact O-N 2.89Å
143K32.9Very low45.1Very low179 Ų179110 Ų11078%0.77852%0.517SS*.THydrogen-bonded Turntrans-82.3-22.9178.6-74.1-175174178.90115N141N141-K143 PolarHBondContact O-N 3.45Å
144H32.1Very low43.1Very low90 Ų90115.3 Ų115.342%0.41755%0.546SS..  trans-10312.9-171.7-68.3-41.9000115.6N141 R146 D148N141-H144 PolarHBondContact O-N 3.15Å; H144-R146 PolarHBondContact O-N 3.19Å; H144-D148 WeakPolarHBondContact CB-OD2 3.41Å; H144-D148 IonicContact CG-OD2 3.37Å; H144-D148 IonicContact ND1-OD2 3.54Å
145W30.7Very low41.1Very low171 Ų171117.6 Ų117.665%0.64857%0.574SS**THydrogen-bonded Turntrans-58.5-7.8-178.776.4-78.1000116.8
146R30.5Very low39.3Very low184 Ų184119 Ų11969%0.69458%0.581SS**THydrogen-bonded Turntrans-126.5-7-169.8-106.3-178.2-172.4-176.33.4116.6H144H144-R146 PolarHBondContact O-N 3.19Å
147Q33.1Very low37.7Very low151 Ų151123.7 Ų123.771%0.70661%0.612SS**THydrogen-bonded Turntrans-129.3-38.4-170.9-79.1170.3-26.300113.8
148D33.6Very low36.8Very low56 Ų56124.4 Ų124.430%0.29961%0.609SS.*THydrogen-bonded Turntrans-93.6-18.7-176.4-52.6-51.5000113.3W140 H144 L150 K151 D152W140-D148 HydrophobicContact CZ2-CB 4.36Å; H144-D148 WeakPolarHBondContact CB-OD2 3.41Å; H144-D148 IonicContact CG-OD2 3.37Å; H144-D148 IonicContact ND1-OD2 3.54Å; D148-L150 PolarHBondContact O-N 3.41Å; D148-K151 PolarHBondContact O-N 2.86Å; D148-D152 PolarHBondContact O-N 2.88Å; D148-D152 VanDerWaalsContact O-N 3.13Å
149A35.2Very low36.4Very low49 Ų49124.4 Ų124.441%0.40561%0.609SS.*THydrogen-bonded Turntrans-63.5-7.5175.900000115.1
150L33.4Very low36.5Very low135 Ų135120.3 Ų120.371%0.70760%0.599SS**THydrogen-bonded Turntrans-104.4-4.8174.2-77.4167.6000113.5D148D148-L150 PolarHBondContact O-N 3.41Å
151K35.8Very low36.6Very low182 Ų182118.5 Ų118.579%0.79160%0.604SS**THydrogen-bonded Turntrans-114.1-34179-76.3-168.3171.4-174.30113.7D148 Q153D148-K151 PolarHBondContact O-N 2.86Å; K151-Q153 PolarHBondContact O-N 3.42Å
152D38.8Very low37.3Very low104 Ų104119.7 Ų119.756%0.55661%0.61SS**  trans-9948.6177.2-61.4-19.2000111.1D148 D154D148-D152 PolarHBondContact O-N 2.88Å; D148-D152 VanDerWaalsContact O-N 3.13Å; D152-D154 VanDerWaalsContact C-N 3.33Å; D152-D154 PolarHBondContact O-N 3.16Å
153Q38.8Very low38Very low116 Ų116111.8 Ų111.854%0.54258%0.577SS.*THydrogen-bonded Turntrans-70.3-26.5-178.9-76.9-163.6-20.500113.7K151K151-Q153 PolarHBondContact O-N 3.42Å
154D40.2Very low39.1Very low118 Ų118105.5 Ų105.563%0.63156%0.563SS**THydrogen-bonded Turntrans-124.874.5170.8-72.1-57.4000110D152 D156D152-D154 VanDerWaalsContact C-N 3.33Å; D152-D154 PolarHBondContact O-N 3.16Å; D154-D156 PolarHBondContact O-N 3.31Å
155G37.8Very low40.5Very low63 Ų63110.8 Ų110.865%0.64959%0.588SS**  trans-68.957.2168.500000112.4T157G155-T157 PolarHBondContact O-N 2.82Å
156D40.3Very low42.4Very low77 Ų77110.5 Ų110.541%0.41259%0.594SS.*  trans-79.710.7-161.1-148.240.5000114.2R93 D154R93-D156 IonicContact NH1-OD2 3.81Å; R93-D156 PolarHBondContact NH1-OD2 3.42Å; D154-D156 PolarHBondContact O-N 3.31Å
157T35.7Very low44.6Very low119 Ų119103 Ų10373%0.7357%0.569SS**  trans-141.267.7-172.459.50000112.8G155G155-T157 PolarHBondContact O-N 2.82Å
158I41.2Very low46.8Very low94 Ų94100.6 Ų100.648%0.48256%0.561SS.*  trans-93.194138-62.7172.8000105.6S160 R193I158-S160 PolarHBondContact O-N 2.94Å; I158-R193 VanDerWaalsContact CD1-NH2 3.32Å
159D42.7Very low49Very low102 Ų102103 Ų10355%0.54557%0.571SS.*  trans-51.8125.8168.1-114.5-13.9000108.5T161 N162D159-T161 WeakPolarHBondContact CB-OG1 3.33Å; D159-T161 PolarHBondContact O-N 3.3Å; D159-N162 PolarHBondContact O-N 3.32Å
160S45.4Very low51.3Low85 Ų85105.5 Ų105.559%0.59458%0.576SS**THydrogen-bonded Turntrans-63.2-8179.351.10000113.4I158 I163 R194I158-S160 PolarHBondContact O-N 2.94Å; S160-I163 WeakPolarHBondContact O-CD1 3.46Å; S160-I163 WeakPolarHBondContact O-CG1 3.42Å; S160-R194 PolarHBondContact O-NH2 3.03Å
161T42.8Very low53.6Low101 Ų101101.1 Ų101.162%0.6255%0.553SS**THydrogen-bonded Turntrans-80.2-24.5174.657.60000113.5D159 I163D159-T161 WeakPolarHBondContact CB-OG1 3.33Å; D159-T161 PolarHBondContact O-N 3.3Å; T161-I163 PolarHBondContact O-N 2.86Å
162N45.2Very low55.8Low139 Ų13996.8 Ų96.874%0.74354%0.538SS*.  trans-87.417.5179.1-82.9-16.4000113.7D159 G164D159-N162 PolarHBondContact O-N 3.32Å; N162-G164 PolarHBondContact O-N 3.28Å
163I52.5Low57.8Low32 Ų3291.9 Ų91.916%0.16451%0.512CS..SBendtrans-68.4125.1167.2-63.6176.2000107.5W134 S160 T161 R194W134-I163 HydrophobicContact CB-CG2 3.98Å; W134-I163 HydrophobicContact CD2-CG2 4.15Å; W134-I163 HydrophobicContact CG-CG2 3.49Å; W134-I163 VanDerWaalsContact CG-CG2 3.49Å; S160-I163 WeakPolarHBondContact O-CD1 3.46Å; S160-I163 WeakPolarHBondContact O-CG1 3.42Å; T161-I163 PolarHBondContact O-N 2.86Å; I163-R194 HydrophobicContact CD1-CB 4.25Å
164G55.8Low59.6Low48 Ų4888.7 Ų88.750%0.49550%0.498SS..  trans-54.9148.1-17900000112.9W134 N162 E166W134-G164 PolarHBondContact NE1-O 3.46Å; N162-G164 PolarHBondContact O-N 3.28Å; G164-E166 PolarHBondContact O-N 2.95Å
165E61.5Low61.2Low201 Ų20183.2 Ų83.294%0.93947%0.469SS*.SBendtrans-62-29.2-178.6-64.8-175.116700112.5
166E70.4Confident62.8Low165 Ų16581.9 Ų81.977%0.77145%0.45SS*.SBendtrans-91.9137.6177.6-163.6168.3-163.300110.8W134 G164W134-E166 PolarHBondContact NE1-O 2.86Å; G164-E166 PolarHBondContact O-N 2.95Å
167P76.9Confident63.9Low25 Ų2583 Ų8316%0.16246%0.464CS..  trans-75.7146.217531.1-35.3000112.3E132 W134 I170E132-P167 HydrophobicContact CB-CB 3.86Å; E132-P167 HydrophobicContact CB-CG 3.99Å; E132-P167 HydrophobicContact CG-CB 4.42Å; E132-P167 HydrophobicContact CG-CG 4Å; W134-P167 HydrophobicContact CD2-CB 4.27Å; W134-P167 HydrophobicContact CH2-CB 4.22Å; W134-P167 HydrophobicContact CZ2-CB 3.92Å; P167-I170 HydrophobicContact CB-CG1 4.48Å; P167-I170 HydrophobicContact CG-CD1 3.9Å; P167-I170 HydrophobicContact CG-CG1 3.75Å
168D78.4Confident65.3Low102 Ų10281.2 Ų81.255%0.54546%0.457SS..SBendtrans-69.9-36178.8-58.9-68.5000112.3Q133 W134 I135Q133-D168 PolarHBondContact O-N 3.21Å; W134-D168 VanDerWaalsContact CA-OD2 3.22Å; W134-D168 WeakPolarHBondContact CA-OD2 3.3Å; I135-D168 HydrophobicContact CB-CB 4.25Å; I135-D168 HydrophobicContact CD1-CB 4.26Å; I135-D168 HydrophobicContact CG1-CB 4.1Å; I135-D168 PolarHBondContact N-OD2 3.21Å
169E80.2Confident66.8Low107 Ų10780.5 Ų80.550%0.545%0.448SS..EExtended strand (participates in β ladder)trans-139.5143.7176.6-74.5-174.9-177.600112Q133 I135Q133-E169 HydrophobicContact CB-CB 4.29Å; Q133-E169 PolarHBondContact N-O 3.35Å; Q133-E169 PolarHBondContact NE2-OE2 3.16Å; Q133-E169 VanDerWaalsContact NE2-OE2 3.14Å; Q133-E169 PolarHBondContact O-N 3.4Å; I135-E169 HydrophobicContact CD1-CB 4.13Å; I135-E169 VanDerWaalsContact CD1-CD 3.48Å; I135-E169 HydrophobicContact CD1-CG 3.65Å
170I82.4Confident68.1Low101 Ų10177.1 Ų77.152%0.51843%0.431SS..EExtended strand (participates in β ladder)trans-123116.2175.2-52.1-179.5000109.7Q130 L131 E132 P167Q130-I170 HydrophobicContact CG-CG2 3.9Å; L131-I170 CarbonylContact O-C 3.59Å; L131-I170 WeakPolarHBondContact O-CA 3.38Å; E132-I170 HydrophobicContact CG-CG1 4.28Å; E132-I170 HydrophobicContact CG-CG2 4.38Å; P167-I170 HydrophobicContact CB-CG1 4.48Å; P167-I170 HydrophobicContact CG-CD1 3.9Å; P167-I170 HydrophobicContact CG-CG1 3.75Å
171L83.4Confident69.3Low42 Ų4274.6 Ų74.622%0.2242%0.418CS..EExtended strand (participates in β ladder)trans-100.6115.7172.8174.262.1000110.2Q130 L131 I173 W186 L188Q130-L171 WeakPolarHBondContact CA-O 3.05Å; L131-L171 HydrophobicContact CB-CB 4.3Å; L131-L171 HydrophobicContact CD1-CB 4.42Å; L131-L171 HydrophobicContact CD1-CD2 3.98Å; L131-L171 HydrophobicContact CD1-CG 4.22Å; L131-L171 PolarHBondContact N-O 3.17Å; L131-L171 PolarHBondContact O-N 3.11Å; L171-I173 HydrophobicContact CD2-CD1 4.22Å; L171-I173 HydrophobicContact CD2-CG1 4.43Å; L171-I173 HydrophobicContact CG-CD1 4.45Å; L171-I173 HydrophobicContact CG-CG1 4.22Å; L171-W186 HydrophobicContact CD2-CG 4.47Å; L171-L188 HydrophobicContact CD2-CD1 4.41Å; L171-L188 HydrophobicContact CD2-CD2 3.91Å; L171-L188 HydrophobicContact CD2-CG 4.48Å
172L81.8Confident70.8Confident91 Ų9174.5 Ų74.548%0.47641%0.411SS..EExtended strand (participates in β ladder)trans-102.3115.1175.2-174.368.1000110.9Y128 Q130Y128-L172 HydrophobicContact CD2-CD1 3.71Å; Y128-L172 HydrophobicContact CG-CD1 3.92Å; Q130-L172 HydrophobicContact CB-CD1 3.94Å
173I80.8Confident72.3Confident2 Ų270.9 Ų70.91%0.0140%0.397CS..EExtended strand (participates in β ladder)trans-102.5126.1176.3-69.7164.5000108.5I113 F115 Y128 L129 L131 L171 W186I113-I173 HydrophobicContact CD1-CD1 4.47Å; I113-I173 HydrophobicContact CG2-CD1 3.97Å; F115-I173 HydrophobicContact CB-CG2 4.46Å; F115-I173 HydrophobicContact CD1-CG2 3.46Å; F115-I173 VanDerWaalsContact CD1-CG2 3.46Å; F115-I173 HydrophobicContact CD2-CG2 4.36Å; F115-I173 HydrophobicContact CE1-CG2 3.5Å; F115-I173 VanDerWaalsContact CE1-CG2 3.5Å; F115-I173 HydrophobicContact CE2-CG2 4.42Å; F115-I173 HydrophobicContact CG-CG2 3.86Å; F115-I173 HydrophobicContact CZ-CG2 3.98Å; Y128-I173 CarbonylContact C-O 3.55Å; Y128-I173 WeakPolarHBondContact CA-O 3.46Å; L129-I173 HydrophobicContact CB-CB 4.23Å; L129-I173 HydrophobicContact CB-CG2 4.48Å; L129-I173 HydrophobicContact CD2-CD1 4.17Å; L129-I173 PolarHBondContact N-O 3.01Å; L129-I173 WeakPolarHBondContact O-CB 3.46Å; L129-I173 PolarHBondContact O-N 2.89Å; L131-I173 HydrophobicContact CD1-CD1 3.67Å; L171-I173 HydrophobicContact CD2-CD1 4.22Å; L171-I173 HydrophobicContact CD2-CG1 4.43Å; L171-I173 HydrophobicContact CG-CD1 4.45Å; L171-I173 HydrophobicContact CG-CG1 4.22Å; I173-W186 HydrophobicContact CB-CH2 4.26Å; I173-W186 HydrophobicContact CB-CZ3 4.1Å; I173-W186 HydrophobicContact CD1-CD2 3.93Å; I173-W186 HydrophobicContact CD1-CE3 3.42Å; I173-W186 VanDerWaalsContact CD1-CE3 3.42Å; I173-W186 HydrophobicContact CD1-CH2 4.44Å; I173-W186 HydrophobicContact CD1-CZ3 3.68Å; I173-W186 HydrophobicContact CG1-CD2 4.08Å; I173-W186 HydrophobicContact CG1-CE3 3.76Å; I173-W186 HydrophobicContact CG1-CH2 3.89Å; I173-W186 HydrophobicContact CG1-CZ2 4.22Å; I173-W186 HydrophobicContact CG1-CZ3 3.62Å; I173-W186 HydrophobicContact CG2-CE3 4.28Å; I173-W186 HydrophobicContact CG2-CH2 3.64Å; I173-W186 HydrophobicContact CG2-CZ3 3.38Å
174N77Confident73.5Confident48 Ų4870.5 Ų70.526%0.25740%0.395SS..EExtended strand (participates in β ladder)trans-142.3164.3177.364.225.8000112.2F127 S176 Y179F127-N174 WeakPolarHBondContact O-CA 3.13Å; F127-N174 WeakPolarHBondContact O-CB 3.31Å; N174-S176 PolarHBondContact O-N 3.33Å; N174-S176 WeakPolarHBondContact OD1-CB 3.46Å; N174-S176 PolarHBondContact OD1-N 3.47Å; N174-S176 VanDerWaalsContact OD1-N 3.13Å; N174-S176 PolarHBondContact OD1-OG 3.36Å; N174-Y179 WeakPolarHBondContact O-CD2 3.28Å
175C73.1Confident74.6Confident3 Ų373.7 Ų73.72%0.0240%0.397CS..  trans-86.643.5169.9-720000112.7F115 C117 S124F115-C175 HydrophobicContact CZ-CB 4.49Å; F115-C175 WeakPolarHBondContact CZ-SG 3.47Å; C117-C175 HydrophobicContact CB-CB 4.05Å; C117-C175 WeakPolarHBondContact CB-SG 3.29Å; C117-C175 WeakPolarHBondContact SG-CA 3.44Å; C117-C175 WeakPolarHBondContact SG-CB 3.26Å; C117-C175 CovalentContact SG-SG 2.05Å; C117-C175 PolarHBondContact SG-SG 2.96Å; S124-C175 WeakPolarHBondContact CA-O 3.03Å; S124-C175 WeakPolarHBondContact CB-O 3.48Å; S124-C175 CarbonylContact O-C 3.56Å
176S70.8Confident75.4Confident35 Ų3566.7 Ų66.725%0.24536%0.362CS..  trans-54.1159.5170.452.90000111.6N174 S178 Y179N174-S176 PolarHBondContact O-N 3.33Å; N174-S176 WeakPolarHBondContact OD1-CB 3.46Å; N174-S176 PolarHBondContact OD1-N 3.47Å; N174-S176 VanDerWaalsContact OD1-N 3.13Å; N174-S176 PolarHBondContact OD1-OG 3.36Å; S176-S178 PolarHBondContact O-N 3.46Å; S176-Y179 PolarHBondContact O-N 3.17Å; S176-Y179 WeakPolarHBondContact OG-CD2 3.26Å
177S63.4Low75.7Confident101 Ų10161 Ų6171%0.70634%0.34SS*.G310 helixtrans-49.2-31.9-172.150.50000114.5Y179S177-Y179 VanDerWaalsContact C-N 3.3Å; S177-Y179 PolarHBondContact O-N 2.96Å
178S66Low75.6Confident82 Ų8260.9 Ų60.957%0.57334%0.338SS*.G310 helixtrans-63.6-26.4176.3-54.70000115.1S176 Q182S176-S178 PolarHBondContact O-N 3.46Å; S178-Q182 PolarHBondContact O-NE2 3.37Å
179Y72.5Confident75.1Confident79 Ų7957.7 Ų57.731%0.3132%0.324SS..G310 helixtrans-108.4-4-172.9-59.6-56.6000114C117 N174 S176 S177 G181 Q182 N184C117-Y179 VanDerWaalsContact CB-O 3.3Å; C117-Y179 WeakPolarHBondContact CB-O 3.46Å; N174-Y179 WeakPolarHBondContact O-CD2 3.28Å; S176-Y179 PolarHBondContact O-N 3.17Å; S176-Y179 WeakPolarHBondContact OG-CD2 3.26Å; S177-Y179 VanDerWaalsContact C-N 3.3Å; S177-Y179 PolarHBondContact O-N 2.96Å; Y179-G181 PolarHBondContact O-N 2.79Å; Y179-Q182 WeakPolarHBondContact O-CB 3.43Å; Y179-Q182 PolarHBondContact O-N 2.93Å; Y179-N184 WeakPolarHBondContact CD1-ND2 3.41Å
180V70.3Confident74.5Confident30 Ų3053 Ų5318%0.18231%0.305CS..THydrogen-bonded Turntrans-57.8128-177.81790000110.5P118 T121 Q182P118-V180 WeakPolarHBondContact O-CG1 3.38Å; T121-V180 HydrophobicContact CG2-CG1 3.94Å; V180-Q182 PolarHBondContact O-N 2.82Å
181G70.3Confident74Confident32 Ų3250.9 Ų50.933%0.3329%0.29SS..THydrogen-bonded Turntrans72.74.5-178.800000116C117 P118 Y179C117-G181 WeakPolarHBondContact O-CA 3.24Å; C117-G181 PolarHBondContact O-N 3.01Å; P118-G181 PolarHBondContact O-N 3.49Å; Y179-G181 PolarHBondContact O-N 2.79Å
182Q74.8Confident73.4Confident99 Ų9949.1 Ų49.146%0.46328%0.281SS..  trans-101.5159.3178.8-58.6178.816.800111.6C117 S178 Y179 V180C117-Q182 PolarHBondContact N-O 3.34Å; S178-Q182 PolarHBondContact O-NE2 3.37Å; Y179-Q182 WeakPolarHBondContact O-CB 3.43Å; Y179-Q182 PolarHBondContact O-N 2.93Å; V180-Q182 PolarHBondContact O-N 2.82Å
183S75.4Confident73.1Confident63 Ų6346.5 Ų46.544%0.44127%0.265SS..EExtended strand (participates in β ladder)trans-112.5120.3167.3-1470000108.7H114 F115 T116H114-S183 PolarHBondContact CE1-OG 3.39Å; H114-S183 PolarHBondContact NE2-OG 3.28Å; F115-S183 CarbonylContact O-C 3.6Å; F115-S183 WeakPolarHBondContact O-CA 3.46Å; T116-S183 PolarHBondContact OG1-OG 2.81Å
184N78.3Confident73Confident25 Ų2548.6 Ų48.613%0.13427%0.273CS..EExtended strand (participates in β ladder)trans-107146.8-178.5-62.3-60.4000109.9F115 Y179 W186F115-N184 PolarHBondContact N-O 3.14Å; F115-N184 PolarHBondContact O-N 2.67Å; Y179-N184 WeakPolarHBondContact CD1-ND2 3.41Å; N184-W186 HydrophobicContact CB-CE3 4.2Å; N184-W186 HydrophobicContact CB-CH2 3.53Å; N184-W186 HydrophobicContact CB-CZ2 3.93Å; N184-W186 HydrophobicContact CB-CZ3 3.69Å
185H79Confident73.3Confident115 Ų11546.3 Ų46.353%0.53226%0.261SS..EExtended strand (participates in β ladder)trans-127.5121.9174.2-179.1-88.8000109.5I113I113-H185 CarbonylContact O-C 3.54Å; I113-H185 WeakPolarHBondContact O-CA 3.28Å
186W78.8Confident73.8Confident54 Ų5450.5 Ų50.521%0.20528%0.276CS..EExtended strand (participates in β ladder)trans-111.7129.9172.4-66.7-80.5000109.3I113 F115 L171 I173 N184I113-W186 HydrophobicContact CB-CB 4.37Å; I113-W186 HydrophobicContact CG2-CE3 4.42Å; I113-W186 PolarHBondContact N-O 2.91Å; I113-W186 PolarHBondContact O-N 2.95Å; F115-W186 HydrophobicContact CB-CE3 4.31Å; F115-W186 HydrophobicContact CB-CZ3 3.62Å; F115-W186 AromaticContact CD1-CH2 3.76Å; F115-W186 HydrophobicContact CD1-CH2 3.76Å; F115-W186 AromaticContact CD1-CZ3 3.56Å; F115-W186 HydrophobicContact CD1-CZ3 3.56Å; F115-W186 HydrophobicContact CE1-CH2 4.45Å; F115-W186 AromaticContact CG-CZ3 3.99Å; F115-W186 HydrophobicContact CG-CZ3 3.99Å; L171-W186 HydrophobicContact CD2-CG 4.47Å; I173-W186 HydrophobicContact CB-CH2 4.26Å; I173-W186 HydrophobicContact CB-CZ3 4.1Å; I173-W186 HydrophobicContact CD1-CD2 3.93Å; I173-W186 HydrophobicContact CD1-CE3 3.42Å; I173-W186 VanDerWaalsContact CD1-CE3 3.42Å; I173-W186 HydrophobicContact CD1-CH2 4.44Å; I173-W186 HydrophobicContact CD1-CZ3 3.68Å; I173-W186 HydrophobicContact CG1-CD2 4.08Å; I173-W186 HydrophobicContact CG1-CE3 3.76Å; I173-W186 HydrophobicContact CG1-CH2 3.89Å; I173-W186 HydrophobicContact CG1-CZ2 4.22Å; I173-W186 HydrophobicContact CG1-CZ3 3.62Å; I173-W186 HydrophobicContact CG2-CE3 4.28Å; I173-W186 HydrophobicContact CG2-CH2 3.64Å; I173-W186 HydrophobicContact CG2-CZ3 3.38Å; N184-W186 HydrophobicContact CB-CE3 4.2Å; N184-W186 HydrophobicContact CB-CH2 3.53Å; N184-W186 HydrophobicContact CB-CZ2 3.93Å; N184-W186 HydrophobicContact CB-CZ3 3.69Å
187S76.1Confident74.4Confident44 Ų4448.8 Ų48.831%0.30826%0.264SS..EExtended strand (participates in β ladder)trans-112.1108.4171.5172.90000108.2N112 S189N112-S187 PolarHBondContact OD1-OG 3.24Å; S187-S189 PolarHBondContact O-N 3.32Å
188L75.2Confident75.3Confident23 Ų2345 Ų4512%0.1224%0.236CC..EExtended strand (participates in β ladder)trans-87.5100.9167.7-57.5176.1000107.2R110 A111 I113 L131 Q133 L171 L192R110-L188 CarbonylContact C-O 3.59Å; R110-L188 WeakPolarHBondContact CA-O 3.29Å; A111-L188 HydrophobicContact CB-CB 4.17Å; A111-L188 HydrophobicContact CB-CD1 4.38Å; A111-L188 PolarHBondContact N-O 3.07Å; A111-L188 PolarHBondContact O-N 3.05Å; I113-L188 HydrophobicContact CD1-CD1 4.24Å; L131-L188 HydrophobicContact CB-CD1 4.48Å; L131-L188 HydrophobicContact CD1-CD1 4.35Å; L131-L188 HydrophobicContact CD2-CD1 4.48Å; Q133-L188 HydrophobicContact CG-CD1 4.5Å; L171-L188 HydrophobicContact CD2-CD1 4.41Å; L171-L188 HydrophobicContact CD2-CD2 3.91Å; L171-L188 HydrophobicContact CD2-CG 4.48Å; L188-L192 HydrophobicContact CB-CD1 3.77Å
189S67.7Low76.1Confident35 Ų3541.5 Ų41.525%0.24521%0.211CC..EExtended strand (participates in β ladder)trans-131.2126.618050.60000109.2S187 L338S187-S189 PolarHBondContact O-N 3.32Å; S189-L338 WeakPolarHBondContact O-CD2 3.34Å
190G67.2Low76.3Confident10 Ų1042.3 Ų42.310%0.10322%0.216CC..EExtended strand (participates in β ladder)trans155.7-145.9-178.300000112.1L192 I271G190-L192 PolarHBondContact O-N 2.03Å; G190-I271 WeakPolarHBondContact O-CD1 3.48Å
191Y71.4Confident76.1Confident55 Ų5541.2 Ų41.222%0.21621%0.209CC..EExtended strand (participates in β ladder)trans-77.231.3-171.6-60.8-88.5000114.4L105 L108 I135 E136 L138 R193 V273L105-Y191 HydrophobicContact CD1-CD1 3.76Å; L105-Y191 HydrophobicContact CD1-CE1 3.35Å; L108-Y191 HydrophobicContact CD1-CD1 4.42Å; I135-Y191 CarbonylContact C-O 3.6Å; I135-Y191 WeakPolarHBondContact CA-O 3.46Å; E136-Y191 PolarHBondContact N-O 3.47Å; E136-Y191 WeakPolarHBondContact O-CB 3.3Å; L138-Y191 HydrophobicContact CD1-CE1 3.87Å; L138-Y191 WeakPolarHBondContact CD1-OH 3.46Å; Y191-R193 PolarHBondContact O-N 2.74Å; Y191-V273 HydrophobicContact CE1-CG2 4.21Å; Y191-V273 WeakPolarHBondContact OH-CG2 3.32Å
192L72.1Confident75.3Confident6 Ų646.4 Ų46.43%0.03122%0.219CC..EExtended strand (participates in β ladder)trans-74.6117.9-170.7-56170.8000111.6L109 Q133 I135 L188 G190 I195L109-L192 HydrophobicContact CB-CB 3.95Å; L109-L192 PolarHBondContact N-O 3.31Å; L109-L192 WeakPolarHBondContact O-CB 3.25Å; Q133-L192 HydrophobicContact CB-CD2 4.09Å; Q133-L192 HydrophobicContact CG-CD2 4.31Å; I135-L192 HydrophobicContact CG1-CD2 4.2Å; L188-L192 HydrophobicContact CB-CD1 3.77Å; G190-L192 PolarHBondContact O-N 2.03Å; L192-I195 HydrophobicContact CD1-CD1 4.1Å
193R75.5Confident74.1Confident36 Ų3645.2 Ų45.214%0.13622%0.215CC..EExtended strand (participates in β ladder)trans-95.9-38.2177.6-82.2-173.2162.1147.47.4113.8P90 W134 E136 I158 Y191P90-R193 WeakPolarHBondContact CD-O 3.16Å; W134-R193 PolarHBondContact O-N 3.14Å; E136-R193 HydrophobicContact CB-CG 4.38Å; E136-R193 VanDerWaalsContact CD-CZ 3.42Å; E136-R193 IonicContact OE1-CZ 3.34Å; E136-R193 IonicContact OE1-NH2 3.14Å; E136-R193 PolarHBondContact OE1-NH2 2.87Å; E136-R193 IonicContact OE2-CZ 2.95Å; E136-R193 IonicContact OE2-NE 2.77Å; E136-R193 IonicContact OE2-NH1 3.69Å; E136-R193 PolarHBondContact OE2-NH1 2.49Å; E136-R193 IonicContact OE2-NH2 3.49Å; E136-R193 PolarHBondContact OE2-NH2 3.42Å; I158-R193 VanDerWaalsContact CD1-NH2 3.32Å; Y191-R193 PolarHBondContact O-N 2.74Å
194R79.2Confident72.5Confident46 Ų4644.3 Ų44.317%0.17420%0.204CC..EExtended strand (participates in β ladder)trans-140.4142.6178.7-179.4-171.1-78.8162.2-0.4107.5V87 I88 W134 S160 I163V87-R194 HydrophobicContact CG1-CG 3.64Å; I88-R194 WeakPolarHBondContact O-CA 3.04Å; W134-R194 HydrophobicContact CB-CB 4.09Å; W134-R194 HydrophobicContact CD2-CB 4.11Å; W134-R194 HydrophobicContact CD2-CG 4.23Å; W134-R194 HydrophobicContact CE3-CB 3.68Å; W134-R194 HydrophobicContact CE3-CG 3.56Å; W134-R194 HydrophobicContact CG-CB 4.32Å; W134-R194 HydrophobicContact CZ3-CB 4.49Å; W134-R194 HydrophobicContact CZ3-CG 3.87Å; W134-R194 PolarHBondContact N-O 3.08Å; S160-R194 PolarHBondContact O-NH2 3.03Å; I163-R194 HydrophobicContact CD1-CB 4.25Å
195I83.3Confident70.5Confident0 Ų047.5 Ų47.50%023%0.225CC..EExtended strand (participates in β ladder)trans-127.5128.5169.7-59.4174.6000106.7I88 L109 A111 L131 E132 L192 I197I88-I195 WeakPolarHBondContact CB-O 3.18Å; I88-I195 PolarHBondContact N-O 3.27Å; I88-I195 PolarHBondContact O-N 3.48Å; L109-I195 HydrophobicContact CB-CD1 4.03Å; L109-I195 HydrophobicContact CD1-CB 4.45Å; L109-I195 HydrophobicContact CD1-CD1 4.15Å; L109-I195 HydrophobicContact CD1-CG1 3.93Å; A111-I195 HydrophobicContact CB-CD1 3.76Å; L131-I195 HydrophobicContact CD2-CG2 4.16Å; E132-I195 CarbonylContact O-C 3.55Å; E132-I195 WeakPolarHBondContact O-CA 3.23Å; L192-I195 HydrophobicContact CD1-CD1 4.1Å; I195-I197 HydrophobicContact CG2-CD1 4.35Å; I195-I197 HydrophobicContact CG2-CG1 3.88Å
196R82.3Confident68.5Low90 Ų9048.1 Ų48.134%0.3423%0.228SC..EExtended strand (participates in β ladder)trans-111.9130.3169.1173.7172.5179.7-125.912108.9L86 V87 L131 E132 W134 T198L86-R196 CarbonylContact O-C 3.58Å; L86-R196 VanDerWaalsContact O-CA 3.32Å; L86-R196 WeakPolarHBondContact O-CA 3.46Å; V87-R196 HydrophobicContact CG2-CB 4.29Å; V87-R196 HydrophobicContact CG2-CG 4.05Å; L131-R196 WeakPolarHBondContact CA-O 3.41Å; E132-R196 HydrophobicContact CB-CB 4.12Å; E132-R196 PolarHBondContact N-O 3.38Å; E132-R196 PolarHBondContact O-N 3.01Å; E132-R196 IonicContact OE1-NH1 3.53Å; E132-R196 PolarHBondContact OE1-NH1 3.29Å; E132-R196 VanDerWaalsContact OE2-CD 3.29Å; E132-R196 WeakPolarHBondContact OE2-CD 3.34Å; E132-R196 IonicContact OE2-CZ 3.94Å; E132-R196 IonicContact OE2-NE 3.62Å; E132-R196 IonicContact OE2-NH1 2.59Å; E132-R196 PolarHBondContact OE2-NH1 2.82Å; W134-R196 HydrophobicContact CH2-CB 3.83Å; W134-R196 HydrophobicContact CZ3-CB 3.59Å; R196-T198 HydrophobicContact CG-CG2 4.48Å
197I84.2Confident66.2Low0 Ų052.3 Ų52.30%026%0.259CS..EExtended strand (participates in β ladder)trans-115.5111.4-173.2-44.2-170.9000108L60 G85 L86 I88 L129 L131 I195 W199 V264 I266L60-I197 HydrophobicContact CD1-CD1 3.67Å; G85-I197 CarbonylContact C-O 3.55Å; G85-I197 PolarHBondContact N-O 3.37Å; G85-I197 VanDerWaalsContact N-O 3.1Å; L86-I197 HydrophobicContact CD2-CD1 4.42Å; L86-I197 PolarHBondContact N-O 3.49Å; L86-I197 PolarHBondContact O-N 2.87Å; I88-I197 HydrophobicContact CD1-CD1 3.65Å; I88-I197 HydrophobicContact CD1-CG1 4.2Å; L129-I197 HydrophobicContact CD1-CG2 3.48Å; L129-I197 VanDerWaalsContact CD1-CG2 3.48Å; L131-I197 HydrophobicContact CD2-CD1 4.26Å; L131-I197 HydrophobicContact CD2-CG1 4.07Å; L131-I197 HydrophobicContact CD2-CG2 4.19Å; I195-I197 HydrophobicContact CG2-CD1 4.35Å; I195-I197 HydrophobicContact CG2-CG1 3.88Å; I197-W199 HydrophobicContact CB-CE3 4.49Å; I197-W199 HydrophobicContact CB-CZ3 4.28Å; I197-W199 HydrophobicContact CG2-CE3 3.92Å; I197-W199 HydrophobicContact CG2-CZ3 4.11Å; I197-W199 VanDerWaalsContact O-CZ3 3.31Å; I197-W199 WeakPolarHBondContact O-CZ3 3.3Å; I197-V264 HydrophobicContact CD1-CG1 4.07Å; I197-I266 HydrophobicContact CD1-CD1 3.64Å
198T82.1Confident64Low20 Ų2054.4 Ų54.412%0.12327%0.27CS..EExtended strand (participates in β ladder)trans-112.9145.7172.652.10000108.8Q130 R196Q130-T198 VanDerWaalsContact CB-OG1 3.3Å; Q130-T198 WeakPolarHBondContact CB-OG1 3.12Å; Q130-T198 WeakPolarHBondContact CG-OG1 3.18Å; Q130-T198 PolarHBondContact N-O 3.05Å; Q130-T198 PolarHBondContact O-N 3.27Å; Q130-T198 VanDerWaalsContact O-O 3.07Å; Q130-T198 PolarHBondContact O-OG1 3.41Å; R196-T198 HydrophobicContact CG-CG2 4.48Å
199W83.4Confident61.7Low9 Ų958.9 Ų58.93%0.03429%0.294CS..EExtended strand (participates in β ladder)trans-147.5153.1175.659.394.4000110.6L27 L28 L82 C83 P84 L86 Y128 L129 I197L27-W199 HydrophobicContact CB-CZ2 3.9Å; L27-W199 HydrophobicContact CD2-CD2 4.17Å; L27-W199 HydrophobicContact CD2-CE3 4.05Å; L27-W199 HydrophobicContact CD2-CH2 3.4Å; L27-W199 VanDerWaalsContact CD2-CH2 3.4Å; L27-W199 HydrophobicContact CD2-CZ2 3.53Å; L27-W199 HydrophobicContact CD2-CZ3 3.67Å; L27-W199 HydrophobicContact CG-CZ2 4.31Å; L28-W199 WeakPolarHBondContact O-CZ2 3.35Å; L28-W199 PolarHBondContact O-NE1 3.14Å; L82-W199 HydrophobicContact CB-CH2 4.33Å; L82-W199 WeakPolarHBondContact O-CZ2 3.46Å; C83-W199 VanDerWaalsContact C-CH2 3.45Å; C83-W199 WeakPolarHBondContact O-CH2 3.43Å; P84-W199 HydrophobicContact CB-CD2 4.14Å; P84-W199 HydrophobicContact CB-CE3 4.43Å; P84-W199 HydrophobicContact CB-CZ2 4.36Å; P84-W199 HydrophobicContact CG-CD2 4.15Å; P84-W199 HydrophobicContact CG-CG 4.37Å; P84-W199 HydrophobicContact CG-CZ2 4Å; L86-W199 HydrophobicContact CB-CZ3 4.32Å; Y128-W199 CarbonylContact O-C 3.57Å; Y128-W199 VanDerWaalsContact O-CA 3.25Å; Y128-W199 WeakPolarHBondContact O-CA 3.39Å; Y128-W199 WeakPolarHBondContact O-CB 3.44Å; L129-W199 HydrophobicContact CD1-CB 3.96Å; L129-W199 HydrophobicContact CD1-CE3 4.49Å; I197-W199 HydrophobicContact CB-CE3 4.49Å; I197-W199 HydrophobicContact CB-CZ3 4.28Å; I197-W199 HydrophobicContact CG2-CE3 3.92Å; I197-W199 HydrophobicContact CG2-CZ3 4.11Å; I197-W199 VanDerWaalsContact O-CZ3 3.31Å; I197-W199 WeakPolarHBondContact O-CZ3 3.3Å
200K75.4Confident59.7Low97 Ų9763.5 Ų63.542%0.42232%0.316SS..EExtended strand (participates in β ladder)trans-141.5138.1179-165.8178.6-174.3174.30110.4Y128Y128-K200 HydrophobicContact CD1-CB 3.9Å; Y128-K200 HydrophobicContact CD2-CB 4.47Å; Y128-K200 HydrophobicContact CE1-CB 3.41Å; Y128-K200 VanDerWaalsContact CE1-CB 3.41Å; Y128-K200 HydrophobicContact CE1-CD 3.66Å; Y128-K200 HydrophobicContact CE1-CG 4.13Å; Y128-K200 HydrophobicContact CE2-CB 4.02Å; Y128-K200 HydrophobicContact CG-CB 4.41Å; Y128-K200 VanDerWaalsContact CZ-CB 3.46Å; Y128-K200 PolarHBondContact N-O 3.12Å; Y128-K200 PolarHBondContact O-N 3.19Å
201L67.3Low57.9Low6 Ų668 Ų683%0.03134%0.341CS..EExtended strand (participates in β ladder)trans-13182.5-167.9-52169.8000109.3W62 F127 N203 E204 F262W62-L201 HydrophobicContact CD2-CD1 4.31Å; W62-L201 HydrophobicContact CE3-CD1 3.74Å; W62-L201 HydrophobicContact CH2-CD1 3.16Å; W62-L201 HydrophobicContact CZ2-CD1 3.72Å; W62-L201 HydrophobicContact CZ3-CD1 3.14Å; F127-L201 HydrophobicContact CD1-CB 4.04Å; F127-L201 HydrophobicContact CD1-CD2 3.64Å; F127-L201 HydrophobicContact CD1-CG 4.44Å; F127-L201 HydrophobicContact CE1-CB 3.98Å; F127-L201 HydrophobicContact CE1-CD2 4.24Å; L201-N203 PolarHBondContact O-N 3.26Å; L201-E204 PolarHBondContact O-N 3.21Å; L201-F262 HydrophobicContact CD2-CE2 4.21Å
202R53.2Low55.7Low142 Ų14270.3 Ų70.354%0.53636%0.361SS..THydrogen-bonded Turntrans-79.464.5-178.5-167.5-164-170.1-174.53.8111.7S126 T205S126-R202 WeakPolarHBondContact CB-O 3.06Å; S126-R202 WeakPolarHBondContact O-CA 3.42Å; S126-R202 VanDerWaalsContact O-CB 3.24Å; S126-R202 WeakPolarHBondContact O-CB 3.07Å; S126-R202 PolarHBondContact O-N 2.83Å; R202-T205 HydrophobicContact CG-CG2 4.49Å
203N48.6Very low53.5Low73 Ų7375.3 Ų75.339%0.3939%0.386SS..THydrogen-bonded Turntrans-107.18.3133.1-88.1-7.3000111.2F127 L201F127-N203 HydrophobicContact CZ-CB 4.43Å; L201-N203 PolarHBondContact O-N 3.26Å
204E41.7Very low51.3Low44 Ų4478.9 Ų78.921%0.20641%0.413CS..  trans-101.958.7169.4-63.9167.8164.400109.4S29 F31 L201S29-E204 WeakPolarHBondContact CB-OE1 3.3Å; S29-E204 WeakPolarHBondContact CB-OE2 3.3Å; S29-E204 VanDerWaalsContact OG-CD 3.28Å; S29-E204 PolarHBondContact OG-OE1 3.19Å; S29-E204 PolarHBondContact OG-OE2 2.85Å; F31-E204 HydrophobicContact CB-CB 4.33Å; F31-E204 HydrophobicContact CB-CG 4.39Å; F31-E204 WeakPolarHBondContact CB-OE2 3.46Å; F31-E204 HydrophobicContact CD2-CB 3.82Å; F31-E204 WeakPolarHBondContact CD2-OE2 3.43Å; F31-E204 HydrophobicContact CE2-CB 4.25Å; F31-E204 HydrophobicContact CG-CB 4.04Å; L201-E204 PolarHBondContact O-N 3.21Å
205T37.5Very low48.8Very low92 Ų9284 Ų8456%0.56444%0.444SS*.  trans-63.2131.2144.3440000106.6R202 V207R202-T205 HydrophobicContact CG-CG2 4.49Å; T205-V207 PolarHBondContact O-N 2.59Å
206E35.6Very low46.1Very low129 Ų12990.1 Ų90.160%0.60348%0.481SS*.  trans-34.2136.1151.7-68.1171157.300110.1T208E206-T208 HydrophobicContact CB-CG2 3.95Å; E206-T208 WeakPolarHBondContact CB-OG1 3.44Å; E206-T208 HydrophobicContact CG-CG2 4.41Å; E206-T208 PolarHBondContact O-N 3.18Å; E206-T208 VanDerWaalsContact OE2-CG2 3.26Å; E206-T208 WeakPolarHBondContact OE2-CG2 3.35Å; E206-T208 PolarHBondContact OE2-OG1 3.12Å
207V31.2Very low43.5Very low141 Ų14190.7 Ų90.786%0.85550%0.498SS*.  trans-77.163.9153.2-172.90000106.4T205 D209T205-V207 PolarHBondContact O-N 2.59Å; V207-D209 PolarHBondContact O-N 3.34Å; V207-D209 VanDerWaalsContact O-N 3.15Å
208T29.6Very low40.8Very low89 Ų8998 Ų9855%0.54654%0.537SS..  trans-79.179159.326.90000106.4E206 L210E206-T208 HydrophobicContact CB-CG2 3.95Å; E206-T208 WeakPolarHBondContact CB-OG1 3.44Å; E206-T208 HydrophobicContact CG-CG2 4.41Å; E206-T208 PolarHBondContact O-N 3.18Å; E206-T208 VanDerWaalsContact OE2-CG2 3.26Å; E206-T208 WeakPolarHBondContact OE2-CG2 3.35Å; E206-T208 PolarHBondContact OE2-OG1 3.12Å; T208-L210 VanDerWaalsContact C-N 3.34Å; T208-L210 PolarHBondContact O-N 3.48Å
209D26.8Very low38Very low117 Ų117102.6 Ų102.663%0.62657%0.57SS**  trans4047.9158.6-60.8-49000117.6V207 T211 T212V207-D209 PolarHBondContact O-N 3.34Å; V207-D209 VanDerWaalsContact O-N 3.15Å; D209-T211 PolarHBondContact O-N 2.92Å; D209-T212 PolarHBondContact O-OG1 3.34Å
210L27Very low35.4Very low132 Ų132105.9 Ų105.969%0.69159%0.594SS**THydrogen-bonded Turntrans-76.347.5165.7-150.878.6000112.1T208T208-L210 VanDerWaalsContact C-N 3.34Å; T208-L210 PolarHBondContact O-N 3.48Å
211T27.8Very low33Very low105 Ų105107.5 Ų107.564%0.64461%0.612SS**THydrogen-bonded Turntrans-121.40.717051.30000112.6D209 I213D209-T211 PolarHBondContact O-N 2.92Å; T211-I213 PolarHBondContact O-N 3.18Å
212T26.3Very low30.9Very low102 Ų102112.2 Ų112.263%0.62665%0.646SS**  trans-8939.3160.646.40000113D209D209-T212 PolarHBondContact O-OG1 3.34Å
213I25.2Very low29.6Very low111 Ų111110.3 Ų110.357%0.56965%0.654SS**  trans-116.956.3145.1-46-178.4000108.2T211 N215T211-I213 PolarHBondContact O-N 3.18Å; I213-N215 VanDerWaalsContact C-N 3.3Å; I213-N215 PolarHBondContact O-N 3.47Å
214T29.2Very low28.4Very low112 Ų112112.7 Ų112.769%0.68767%0.672SS**  trans-67.293.5159.440.90000109.1T216T214-T216 VanDerWaalsContact C-N 3.33Å; T214-T216 PolarHBondContact O-N 2.94Å
215N26.2Very low27.6Very low154 Ų154116.2 Ų116.282%0.82470%0.701SS**  trans12.365.4142-64.4-28.9000117.3I213 S217I213-N215 VanDerWaalsContact C-N 3.3Å; I213-N215 PolarHBondContact O-N 3.47Å; N215-S217 VanDerWaalsContact C-N 3.31Å; N215-S217 PolarHBondContact O-N 3.47Å; N215-S217 VanDerWaalsContact O-N 3.14Å
216T27.6Very low27Very low128 Ų128117.3 Ų117.379%0.78571%0.712SS**  trans-74.596.6148.417.80000106.9T214 L218T214-T216 VanDerWaalsContact C-N 3.33Å; T214-T216 PolarHBondContact O-N 2.94Å; T216-L218 PolarHBondContact O-N 3.41Å; T216-L218 VanDerWaalsContact O-N 3.12Å
217S27.4Very low26.4Very low101 Ų101116.9 Ų116.971%0.70672%0.718SS**  trans-37.8110.117451.40000113.9N215N215-S217 VanDerWaalsContact C-N 3.31Å; N215-S217 PolarHBondContact O-N 3.47Å; N215-S217 VanDerWaalsContact O-N 3.14Å
218L27.9Very low26.1Very low155 Ų155117.2 Ų117.281%0.81271%0.714SS**  trans-11074.3152.8-83.1115.9000109.6T216 S220T216-L218 PolarHBondContact O-N 3.41Å; T216-L218 VanDerWaalsContact O-N 3.12Å; L218-S220 PolarHBondContact O-N 2.87Å
219S24.2Very low25.8Very low115 Ų115121.8 Ų121.880%0.80473%0.726SS**  trans-69.880.1160.851.90000110.1
220S27.1Very low25.6Very low79 Ų79122.4 Ų122.455%0.55273%0.729SS**  trans-157.495165.458.20000112.2L218L218-S220 PolarHBondContact O-N 2.87Å
221T24.8Very low25.4Very low130 Ų130123.7 Ų123.780%0.79874%0.737SS**  trans32.6130.6137.551.10000121.1
222S24.4Very low25.2Very low106 Ų106124.8 Ų124.874%0.74174%0.743SS**  trans96.2118.2151.7-28.40000119
223S25.2Very low25Very low102 Ų102125.4 Ų125.471%0.71375%0.752SS**  trans60.1121.8144.251.50000122.2
224T23.9Very low25.3Very low123 Ų123127.3 Ų127.376%0.75576%0.762SS**  trans63.1107.814353.90000120.3
225S24.3Very low25.1Very low117 Ų117126.9 Ų126.982%0.81876%0.763SS**  trans39.5102.3139.260.60000119.1
226S25.5Very low25.4Very low115 Ų115127.8 Ų127.880%0.80477%0.768SS**  trans-149.6148.5146.746.20000111.7
227V23.2Very low25.4Very low120 Ų120127.1 Ų127.173%0.72777%0.769SS**  trans-81.3131.7-174.7175.50000109.6F229V227-F229 HydrophobicContact CG1-CD2 4.42Å; V227-F229 HydrophobicContact CG1-CE2 4.25Å
228I25Very low25.4Very low148 Ų148127.2 Ų127.276%0.75977%0.769SS**  trans-91.2112.9176.2-59.9177000109.2
229F22Very low25.5Very low185 Ų185127.8 Ų127.881%0.81177%0.772SS**  trans-81.4129.2167.7-75.5-100.1000109.6V227V227-F229 HydrophobicContact CG1-CD2 4.42Å; V227-F229 HydrophobicContact CG1-CE2 4.25Å
230L24.5Very low25.7Very low130 Ų130128 Ų12868%0.68177%0.774SS**  trans-90.3111.9173.5-83.6142.8000109.6
231N21.5Very low25.8Very low160 Ų160129.2 Ų129.286%0.85678%0.782SS**  trans-94.7148.4174-122.718000110.6
232T24.3Very low25.9Very low127 Ų127126.8 Ų126.878%0.77977%0.771SS**  trans-76.9170.3-17840.20000113.7
233S22.6Very low26.3Very low116 Ų116126.8 Ų126.881%0.81177%0.77SS**  trans82.591175.1730000117.9
234I29.6Very low26.4Very low151 Ų151126.1 Ų126.177%0.77477%0.766SS**  trans-131.8133.1151-60.7-178.2000107.3
235S26.1Very low26.5Very low103 Ų103129.6 Ų129.672%0.7277%0.766SS**  trans-89.4141.7-161.8-43.90000114.7S237S235-S237 PolarHBondContact O-N 2.79Å; S235-S237 VanDerWaalsContact O-N 3.14Å
236D31.5Very low26.7Very low173 Ų173130.2 Ų130.293%0.92576%0.76SS**SBendtrans-60.3108.9173.5-66.6-55.5000112.7
237S28.3Very low26.8Very low114 Ų114130.8 Ų130.880%0.79775%0.754SS**  trans-159.5-7.1165.856.10000116.4S235S235-S237 PolarHBondContact O-N 2.79Å; S235-S237 VanDerWaalsContact O-N 3.14Å
238S27.5Very low26.9Very low102 Ų102132 Ų13271%0.71376%0.757SS**  trans-130.258.4-172.666.10000113.9
239L30.1Very low27.1Very low168 Ų168131.9 Ų131.988%0.8876%0.756SS**  trans-126.641.9179.2-138.584.2000114
240S28.8Very low27.3Very low119 Ų119128.9 Ų128.983%0.83275%0.749SS**SBendtrans-117.17.2-176.4500000115.7
241S27.7Very low27.6Very low105 Ų105128.8 Ų128.873%0.73475%0.749SS**SBendtrans-139.423.7-175.464.90000116.3
242S28.8Very low27.8Very low79 Ų79129 Ų12955%0.55275%0.745SS**  trans-12328.4-175.9-57.30000114.6S244S242-S244 VanDerWaalsContact C-N 3.29Å; S242-S244 PolarHBondContact O-N 3.2Å
243S31.5Very low28.1Very low105 Ų105127.3 Ų127.373%0.73473%0.728SS**THydrogen-bonded Turntrans-78.2-1-175.966.60000115.6
244S28Very low28.5Very low88 Ų88128.9 Ų128.962%0.61572%0.721SS**THydrogen-bonded Turntrans-91.2-20.9-175.954.10000115.2S242S242-S244 VanDerWaalsContact C-N 3.29Å; S242-S244 PolarHBondContact O-N 3.2Å
245Y26.4Very low28.9Very low196 Ų196124.5 Ų124.577%0.76970%0.698SS**SBendtrans-97.4-11.6-178-76.2-82.5000114.6N247Y245-N247 PolarHBondContact O-N 3.42Å
246L28.7Very low29.5Very low131 Ų131121.5 Ų121.569%0.68668%0.678SS**G310 helixtrans-73.1-21.1-179.6-77.9166.4000114.4N248L246-N248 VanDerWaalsContact C-N 3.3Å; L246-N248 PolarHBondContact O-N 2.94Å
247N26.8Very low30.1Very low127 Ų127123.9 Ų123.968%0.67967%0.673SS**G310 helixtrans-77.9-6.4-177.5-77.5-8.6000115.2Y245 N250Y245-N247 PolarHBondContact O-N 3.42Å; N247-N250 PolarHBondContact O-ND2 3.28Å
248N25.5Very low31.4Very low146 Ų146118.7 Ų118.778%0.78164%0.638SS**G310 helixtrans-104.4-3.9179.7-85.9-22.9000114.8L246 N250L246-N248 VanDerWaalsContact C-N 3.3Å; L246-N248 PolarHBondContact O-N 2.94Å; N248-N250 PolarHBondContact O-N 3.01Å
249L28Very low33Very low144 Ų144115.5 Ų115.575%0.75462%0.621SS**  trans-88.344.5166.3-81.6154.9000111.1N251L249-N251 PolarHBondContact O-N 2.9Å
250N27Very low34.9Very low123 Ų123107.5 Ų107.566%0.65858%0.579SS**  trans-65.892.8170.8-100.9-36.5000109.9N247 N248 Q252N247-N250 PolarHBondContact O-ND2 3.28Å; N248-N250 PolarHBondContact O-N 3.01Å; N250-Q252 VanDerWaalsContact C-N 3.27Å; N250-Q252 PolarHBondContact O-N 3.45Å
251N30.2Very low37Very low128 Ų128106.1 Ų106.168%0.68456%0.558SS**  trans42.542.4156.9-63.4-29.4000115.9L249 H253L249-N251 PolarHBondContact O-N 2.9Å; N251-H253 PolarHBondContact O-CD2 3.43Å; N251-H253 VanDerWaalsContact O-CD2 3.29Å; N251-H253 PolarHBondContact O-N 2.83Å
252Q27Very low39.3Very low163 Ų163101.5 Ų101.576%0.76253%0.525SS*.  trans-71.599.7173.2-72.8-158.1-1.500109.4N250 F254N250-Q252 VanDerWaalsContact C-N 3.27Å; N250-Q252 PolarHBondContact O-N 3.45Å; Q252-F254 WeakPolarHBondContact O-CD2 3.45Å; Q252-F254 PolarHBondContact O-N 3.33Å
253H30.9Very low41.7Very low93 Ų93100.6 Ų100.643%0.43151%0.513SS..  trans-56.293.2-176.2-65.2-70000112.9T68 N251 L255 S256T68-H253 PolarHBondContact OG1-CD2 3.25Å; T68-H253 PolarHBondContact OG1-CE1 3.3Å; T68-H253 PolarHBondContact OG1-ND1 3.27Å; T68-H253 PolarHBondContact OG1-NE2 3.22Å; N251-H253 PolarHBondContact O-CD2 3.43Å; N251-H253 VanDerWaalsContact O-CD2 3.29Å; N251-H253 PolarHBondContact O-N 2.83Å; H253-L255 PolarHBondContact O-N 2.86Å; H253-L255 VanDerWaalsContact O-N 3.16Å; H253-S256 PolarHBondContact O-N 3.48Å
254F30.6Very low44.1Very low149 Ų14995.6 Ų95.665%0.65448%0.478SS*.G310 helixtrans-59.6-20.4170.3-88.6-90.8000113.1Q252 S256Q252-F254 WeakPolarHBondContact O-CD2 3.45Å; Q252-F254 PolarHBondContact O-N 3.33Å; F254-S256 VanDerWaalsContact C-N 3.34Å; F254-S256 PolarHBondContact O-N 3.23Å
255L38.6Very low46.7Very low58 Ų5893 Ų9330%0.30446%0.455SS..G310 helixtrans-59.8-38.1178.1-62.4171.4000112.9W62 T68 H253 R257W62-L255 HydrophobicContact CH2-CD2 4.17Å; W62-L255 HydrophobicContact CZ2-CD2 4.01Å; T68-L255 HydrophobicContact CG2-CD1 4.46Å; H253-L255 PolarHBondContact O-N 2.86Å; H253-L255 VanDerWaalsContact O-N 3.16Å; L255-R257 PolarHBondContact O-N 3.42Å; L255-R257 VanDerWaalsContact O-N 3.14Å
256S38.5Very low49.3Very low41 Ų4183.7 Ų83.729%0.28742%0.418SS..G310 helixtrans-77.15.3-173.6-50.30000115H253 F254H253-S256 PolarHBondContact O-N 3.48Å; F254-S256 VanDerWaalsContact C-N 3.34Å; F254-S256 PolarHBondContact O-N 3.23Å
257R44.1Very low51.7Low222 Ų22277.7 Ų77.784%0.83839%0.388SS*.G310 helixtrans-121.5-1.1-174.8-77.2-169.8175.2-171.40.9115.8L255 G259L255-R257 PolarHBondContact O-N 3.42Å; L255-R257 VanDerWaalsContact O-N 3.14Å; R257-G259 VanDerWaalsContact C-N 3.26Å; R257-G259 PolarHBondContact O-N 3.32Å
258S54.5Low54.1Low6 Ų671.7 Ų71.74%0.04236%0.355CS..SBendtrans-65.9-30.9175.861.20000112.2P118 I260P118-S258 VanDerWaalsContact CB-O 3.3Å; P118-S258 WeakPolarHBondContact CB-O 3.39Å; P118-S258 VanDerWaalsContact CG-O 3.23Å; P118-S258 WeakPolarHBondContact CG-O 3.46Å; S258-I260 PolarHBondContact O-N 3.02Å; S258-I260 VanDerWaalsContact O-N 3.12Å
259G62Low56.6Low35 Ų3565.3 Ų65.336%0.36132%0.321SS..  trans64.68.5-17400000113.8R257R257-G259 VanDerWaalsContact C-N 3.26Å; R257-G259 PolarHBondContact O-N 3.32Å
260I69.5Low59Low0 Ų058.8 Ų58.80%029%0.287CS..  trans-81.5136.3177.9-62.6168.5000108.5F115 T116 P118 F127 S258 F262F115-I260 HydrophobicContact CD2-CG2 4.34Å; F115-I260 HydrophobicContact CE2-CG2 3.72Å; T116-I260 WeakPolarHBondContact O-CA 3.34Å; P118-I260 VanDerWaalsContact CD-CG1 3.43Å; P118-I260 HydrophobicContact CG-CG1 4.08Å; F127-I260 HydrophobicContact CB-CD1 3.74Å; F127-I260 HydrophobicContact CD1-CD1 3.38Å; F127-I260 HydrophobicContact CD2-CD1 3.5Å; F127-I260 VanDerWaalsContact CD2-CD1 3.5Å; F127-I260 HydrophobicContact CE1-CD1 3.82Å; F127-I260 HydrophobicContact CE2-CD1 3.94Å; F127-I260 HydrophobicContact CG-CD1 3.21Å; F127-I260 HydrophobicContact CZ-CD1 4.09Å; S258-I260 PolarHBondContact O-N 3.02Å; S258-I260 VanDerWaalsContact O-N 3.12Å; I260-F262 HydrophobicContact CG2-CD2 3.76Å; I260-F262 HydrophobicContact CG2-CE2 3.41Å; I260-F262 VanDerWaalsContact CG2-CE2 3.41Å; I260-F262 HydrophobicContact CG2-CZ 3.99Å
261K72.5Confident61.6Low90 Ų9055 Ų5539%0.39127%0.266SS..EExtended strand (participates in β ladder)trans-124.1123.4172.6-55.5-167.6-173-165.30109.6D65 F115 T116D65-K261 WeakPolarHBondContact OD1-CE 3.42Å; D65-K261 IonicContact OD1-NZ 3.55Å; D65-K261 VanDerWaalsContact OD2-CE 3.24Å; D65-K261 WeakPolarHBondContact OD2-CE 3.43Å; D65-K261 IonicContact OD2-NZ 2.87Å; D65-K261 PolarHBondContact OD2-NZ 3.1Å; F115-K261 CarbonylContact C-O 3.58Å; F115-K261 WeakPolarHBondContact CA-O 3.41Å; T116-K261 PolarHBondContact N-O 3.49Å; T116-K261 PolarHBondContact O-N 3.32Å; T116-K261 VanDerWaalsContact O-N 3.09Å
262F77Confident64Low8 Ų850.3 Ų50.34%0.03524%0.239CC..EExtended strand (participates in β ladder)trans-110.6133.5166.6-62.3-88.3000108.6L27 S61 W62 F115 L129 L201 I260L27-F262 HydrophobicContact CD1-CB 4.21Å; S61-F262 WeakPolarHBondContact CA-O 3.41Å; W62-F262 HydrophobicContact CB-CB 3.82Å; W62-F262 HydrophobicContact CB-CD2 3.72Å; W62-F262 HydrophobicContact CB-CG 4.27Å; W62-F262 AromaticContact CG-CD2 3.99Å; W62-F262 HydrophobicContact CG-CD2 3.99Å; W62-F262 PolarHBondContact N-O 3.3Å; F115-F262 AromaticContact CD2-CD1 3.38Å; F115-F262 HydrophobicContact CD2-CD1 3.38Å; F115-F262 AromaticContact CD2-CE1 3.25Å; F115-F262 HydrophobicContact CD2-CE1 3.25Å; F115-F262 HydrophobicContact CD2-CG 4.11Å; F115-F262 AromaticContact CD2-CZ 3.9Å; F115-F262 HydrophobicContact CD2-CZ 3.9Å; F115-F262 AromaticContact CE2-CD1 3.77Å; F115-F262 HydrophobicContact CE2-CD1 3.77Å; F115-F262 AromaticContact CE2-CE1 3.14Å; F115-F262 HydrophobicContact CE2-CE1 3.14Å; F115-F262 HydrophobicContact CE2-CE2 4.07Å; F115-F262 HydrophobicContact CE2-CG 4.46Å; F115-F262 AromaticContact CE2-CZ 3.33Å; F115-F262 HydrophobicContact CE2-CZ 3.33Å; F115-F262 HydrophobicContact CG-CD1 4.32Å; F115-F262 HydrophobicContact CG-CE1 4.25Å; F115-F262 HydrophobicContact CZ-CE1 4.04Å; F115-F262 HydrophobicContact CZ-CZ 4.2Å; L129-F262 HydrophobicContact CB-CD1 4.16Å; L129-F262 HydrophobicContact CB-CE1 3.55Å; L129-F262 HydrophobicContact CB-CZ 4.25Å; L129-F262 HydrophobicContact CD2-CD1 3.83Å; L129-F262 HydrophobicContact CD2-CE1 4.07Å; L129-F262 HydrophobicContact CG-CE1 4.38Å; L201-F262 HydrophobicContact CD2-CE2 4.21Å; I260-F262 HydrophobicContact CG2-CD2 3.76Å; I260-F262 HydrophobicContact CG2-CE2 3.41Å; I260-F262 VanDerWaalsContact CG2-CE2 3.41Å; I260-F262 HydrophobicContact CG2-CZ 3.99Å
263L79.2Confident66.5Low59 Ų5944.5 Ų44.531%0.30922%0.215SC..EExtended strand (participates in β ladder)trans-133112.8166.7178.971.7000107.3V59 L60 I113 H114V59-L263 HydrophobicContact CG1-CD1 3.57Å; L60-L263 CarbonylContact O-C 3.38Å; L60-L263 WeakPolarHBondContact O-CA 3.41Å; I113-L263 WeakPolarHBondContact CA-O 3.36Å; H114-L263 HydrophobicContact CB-CB 4.33Å; H114-L263 PolarHBondContact N-O 3.38Å; H114-L263 PolarHBondContact O-N 3.19Å
264V82.2Confident69Low0 Ų042.3 Ų42.30%022%0.218CC..EExtended strand (participates in β ladder)trans-112115.5175.6176.40000107.4L60 I113 L129 I197 I266L60-V264 HydrophobicContact CB-CB 4.1Å; L60-V264 HydrophobicContact CD1-CB 4.22Å; L60-V264 HydrophobicContact CD1-CG1 4.22Å; L60-V264 HydrophobicContact CG-CB 4.31Å; L60-V264 PolarHBondContact N-O 3.34Å; L60-V264 PolarHBondContact O-N 3.48Å; I113-V264 HydrophobicContact CD1-CG1 4.43Å; I113-V264 HydrophobicContact CD1-CG2 4.38Å; I113-V264 HydrophobicContact CG1-CB 4.48Å; I113-V264 HydrophobicContact CG1-CG1 4.1Å; I113-V264 HydrophobicContact CG1-CG2 4.12Å; I113-V264 HydrophobicContact CG2-CG2 4.04Å; L129-V264 HydrophobicContact CD2-CG2 4.01Å; I197-V264 HydrophobicContact CD1-CG1 4.07Å; V264-I266 HydrophobicContact CG1-CD1 3.7Å; V264-I266 HydrophobicContact CG1-CG1 3.77Å
265R80.9Confident71.5Confident34 Ų3442.6 Ų42.613%0.12823%0.226CC..EExtended strand (participates in β ladder)trans-108.2125.4175.5178.9-176.1-69.9-144.87.1108.7Q57 L58 V59 A111 N112 N368 E373Q57-R265 HydrophobicContact CG-CG 3.87Å; L58-R265 CarbonylContact O-C 3.6Å; L58-R265 VanDerWaalsContact O-CA 3.32Å; L58-R265 WeakPolarHBondContact O-CA 3.2Å; V59-R265 HydrophobicContact CG2-CG 4.37Å; A111-R265 CarbonylContact C-O 3.54Å; A111-R265 WeakPolarHBondContact CA-O 3.32Å; N112-R265 PolarHBondContact N-O 3.11Å; N112-R265 PolarHBondContact O-N 3.4Å; R265-N368 PolarHBondContact NH2-O 2.78Å; R265-E373 IonicContact CZ-OE2 3.47Å; R265-E373 IonicContact NH1-OE1 3.94Å; R265-E373 PolarHBondContact NH1-OE1 3Å; R265-E373 IonicContact NH1-OE2 2.89Å; R265-E373 PolarHBondContact NH1-OE2 2.82Å
266I82.1Confident73.6Confident0 Ų040.4 Ų40.40%021%0.214CC..EExtended strand (participates in β ladder)trans-126.6133.1-179.1-52.8-178.5000109.7I54 Q57 L58 I88 L109 R110 A111 I197 V264I54-I266 HydrophobicContact CD1-CB 3.78Å; I54-I266 HydrophobicContact CD1-CG2 3.46Å; I54-I266 VanDerWaalsContact CD1-CG2 3.46Å; Q57-I266 CarbonylContact C-O 3.45Å; Q57-I266 WeakPolarHBondContact CA-O 3.32Å; L58-I266 HydrophobicContact CB-CB 4.26Å; L58-I266 PolarHBondContact N-O 3.12Å; L58-I266 PolarHBondContact O-N 2.96Å; I88-I266 HydrophobicContact CD1-CD1 3.4Å; I88-I266 HydrophobicContact CG2-CG2 4.43Å; L109-I266 HydrophobicContact CD2-CG2 4.18Å; R110-I266 CarbonylContact O-C 3.53Å; R110-I266 VanDerWaalsContact O-CA 3.24Å; R110-I266 WeakPolarHBondContact O-CA 3.42Å; R110-I266 WeakPolarHBondContact O-CG2 3.4Å; A111-I266 HydrophobicContact CB-CD1 4.02Å; A111-I266 HydrophobicContact CB-CG1 3.69Å; I197-I266 HydrophobicContact CD1-CD1 3.64Å; V264-I266 HydrophobicContact CG1-CD1 3.7Å; V264-I266 HydrophobicContact CG1-CG1 3.77Å
267S79.2Confident75.7Confident6 Ų641.2 Ų41.24%0.04222%0.219CC..EExtended strand (participates in β ladder)trans-138.1159.7-175.544.90000110.8R110 H269R110-S267 PolarHBondContact N-O 3.37Å; R110-S267 PolarHBondContact O-N 3.4Å; S267-H269 WeakPolarHBondContact CB-NE2 3.44Å; S267-H269 PolarHBondContact OG-CD2 2.74Å; S267-H269 PolarHBondContact OG-NE2 3.5Å
268S77.9Confident77.5Confident0 Ų034.3 Ų34.30%020%0.198CC..EExtended strand (participates in β ladder)trans-105.8127.3177.7-167.70000111.8W107 L108 M350W107-S268 VanDerWaalsContact CA-OG 3.22Å; W107-S268 WeakPolarHBondContact CA-OG 3.44Å; W107-S268 WeakPolarHBondContact CB-OG 3.05Å; L108-S268 WeakPolarHBondContact O-CA 3.28Å; S268-M350 WeakPolarHBondContact O-CE 3.44Å
269H77.2Confident78.8Confident13 Ų1340.5 Ų40.56%0.0623%0.226CC..EExtended strand (participates in β ladder)trans-126.3152.2-169.3-71.2-117.4000111W107 L108 S267 I344 C345W107-H269 CarbonylContact C-O 3.58Å; W107-H269 WeakPolarHBondContact CA-O 3.27Å; W107-H269 PolarHBondContact N-O 3.11Å; L108-H269 PolarHBondContact N-O 3.24Å; L108-H269 PolarHBondContact O-N 2.99Å; S267-H269 WeakPolarHBondContact CB-NE2 3.44Å; S267-H269 PolarHBondContact OG-CD2 2.74Å; S267-H269 PolarHBondContact OG-NE2 3.5Å; H269-I344 WeakPolarHBondContact ND1-CG2 3.42Å; H269-C345 WeakPolarHBondContact CA-O 3.46Å
270M79.2Confident79.8Confident7 Ų743.3 Ų43.33%0.03423%0.226CC..EExtended strand (participates in β ladder)trans-96135.1159.8165.2168.351.500109.8A104 L105 F106 F272 C285 C345A104-M270 HydrophobicContact CB-SD 4.13Å; L105-M270 VanDerWaalsContact O-CA 3.31Å; L105-M270 WeakPolarHBondContact O-CA 3.45Å; F106-M270 HydrophobicContact CD1-CG 4.49Å; F106-M270 HydrophobicContact CD1-SD 3.79Å; F106-M270 HydrophobicContact CE1-CE 4.02Å; F106-M270 HydrophobicContact CE1-CG 4.42Å; F106-M270 HydrophobicContact CE1-SD 3.19Å; F106-M270 WeakPolarHBondContact CE1-SD 3.43Å; F106-M270 HydrophobicContact CE2-SD 4.38Å; F106-M270 HydrophobicContact CZ-SD 3.54Å; F106-M270 VanDerWaalsContact CZ-SD 3.54Å; M270-F272 HydrophobicContact CE-CE1 4.28Å; M270-F272 HydrophobicContact CE-CE2 3.97Å; M270-F272 HydrophobicContact CE-CZ 3.44Å; M270-F272 VanDerWaalsContact CE-CZ 3.44Å; M270-F272 HydrophobicContact CG-CE2 4.08Å; M270-F272 HydrophobicContact CG-CZ 4.08Å; M270-F272 HydrophobicContact SD-CE1 3.89Å; M270-F272 HydrophobicContact SD-CE2 4.18Å; M270-F272 HydrophobicContact SD-CZ 3.58Å; M270-F272 VanDerWaalsContact SD-CZ 3.58Å; M270-C285 VanDerWaalsContact CE-CA 3.49Å; M270-C285 HydrophobicContact CE-CB 4.1Å; M270-C345 HydrophobicContact CB-CB 3.95Å; M270-C345 HydrophobicContact CE-CB 3.99Å; M270-C345 WeakPolarHBondContact CE-SG 2.95Å; M270-C345 HydrophobicContact CG-CB 4.48Å; M270-C345 PolarHBondContact N-O 2.85Å
271I79.9Confident80.4Confident42 Ų4244.8 Ų44.822%0.21523%0.233CC..EExtended strand (participates in β ladder)trans-114.2134.6177.4-56.4-169.9000109.9L105 L108 G190 V273L105-I271 PolarHBondContact N-O 3.31Å; L105-I271 PolarHBondContact O-N 3.46Å; L108-I271 HydrophobicContact CB-CD1 4.33Å; L108-I271 HydrophobicContact CB-CG1 4.49Å; L108-I271 HydrophobicContact CD1-CB 4.05Å; L108-I271 HydrophobicContact CD1-CD1 3.71Å; L108-I271 HydrophobicContact CD1-CG1 3.89Å; G190-I271 WeakPolarHBondContact O-CD1 3.48Å; I271-V273 HydrophobicContact CG2-CG2 4.04Å
272F80.9Confident80.7Confident30 Ų3043.4 Ų43.413%0.13223%0.226CC..EExtended strand (participates in β ladder)trans-103.8129.4174.1-64.1-81.4000110.2A104 M270 F276 Q281 L284 W292 C345A104-F272 HydrophobicContact CB-CD1 3.97Å; A104-F272 HydrophobicContact CB-CE1 3.96Å; M270-F272 HydrophobicContact CE-CE1 4.28Å; M270-F272 HydrophobicContact CE-CE2 3.97Å; M270-F272 HydrophobicContact CE-CZ 3.44Å; M270-F272 VanDerWaalsContact CE-CZ 3.44Å; M270-F272 HydrophobicContact CG-CE2 4.08Å; M270-F272 HydrophobicContact CG-CZ 4.08Å; M270-F272 HydrophobicContact SD-CE1 3.89Å; M270-F272 HydrophobicContact SD-CE2 4.18Å; M270-F272 HydrophobicContact SD-CZ 3.58Å; M270-F272 VanDerWaalsContact SD-CZ 3.58Å; F272-F276 HydrophobicContact CB-CD2 3.83Å; F272-F276 HydrophobicContact CB-CE2 4.15Å; F272-F276 HydrophobicContact CB-CG 4.4Å; F272-F276 HydrophobicContact CD1-CD1 4.2Å; F272-F276 HydrophobicContact CD1-CD2 4.1Å; F272-F276 HydrophobicContact CD1-CE1 4.21Å; F272-F276 HydrophobicContact CD1-CE2 4.1Å; F272-F276 HydrophobicContact CD1-CG 4.14Å; F272-F276 HydrophobicContact CD1-CZ 4.15Å; F272-F276 HydrophobicContact CG-CD2 4.4Å; F272-Q281 HydrophobicContact CB-CG 4.16Å; F272-Q281 HydrophobicContact CD1-CG 4.21Å; F272-Q281 HydrophobicContact CD2-CB 3.83Å; F272-Q281 HydrophobicContact CD2-CG 3.82Å; F272-Q281 HydrophobicContact CE2-CB 3.76Å; F272-Q281 HydrophobicContact CE2-CG 4.24Å; F272-Q281 HydrophobicContact CG-CB 4.25Å; F272-Q281 HydrophobicContact CG-CG 3.8Å; F272-Q281 HydrophobicContact CZ-CB 4.13Å; F272-Q281 VanDerWaalsContact CZ-O 3.29Å; F272-Q281 WeakPolarHBondContact CZ-O 3.39Å; F272-L284 HydrophobicContact CE1-CB 3.81Å; F272-L284 HydrophobicContact CE1-CD1 3.75Å; F272-L284 HydrophobicContact CE1-CG 4.43Å; F272-L284 HydrophobicContact CZ-CB 3.86Å; F272-W292 HydrophobicContact CD2-CZ3 4.37Å; F272-W292 HydrophobicContact CE2-CH2 4.39Å; F272-W292 AromaticContact CE2-CZ3 3.89Å; F272-W292 HydrophobicContact CE2-CZ3 3.89Å; F272-C345 HydrophobicContact CE2-CB 4.25Å
273V80.5Confident80.9Confident42 Ų4245.4 Ų45.426%0.25524%0.244SC..EExtended strand (participates in β ladder)trans-127.595.6-176.7-175.10000108.9G102 L103 L105 Y191 I271G102-V273 CarbonylContact C-O 3.53Å; G102-V273 WeakPolarHBondContact CA-O 3.13Å; L103-V273 HydrophobicContact CB-CB 4.37Å; L103-V273 PolarHBondContact N-O 3.46Å; L103-V273 PolarHBondContact O-N 3.4Å; L105-V273 HydrophobicContact CD1-CG2 3.71Å; Y191-V273 HydrophobicContact CE1-CG2 4.21Å; Y191-V273 WeakPolarHBondContact OH-CG2 3.32Å; I271-V273 HydrophobicContact CG2-CG2 4.04Å
274G82.8Confident81Confident47 Ų4743 Ų4349%0.48523%0.232SC..EExtended strand (participates in β ladder)trans147.6-161.8-178.800000112.6E101 F276E101-G274 CarbonylContact O-C 3.58Å; G274-F276 VanDerWaalsContact C-N 3.29Å; G274-F276 PolarHBondContact O-N 3.1Å
275N83.7Confident81Confident155 Ų15543 Ų4383%0.82923%0.232SC*.SBendtrans-91.546.1-174.2-66.9-11.6000112.2E101E101-N275 PolarHBondContact O-N 3.42Å
276F81.7Confident80.9Confident12 Ų1246.4 Ų46.45%0.05325%0.249CC..  trans-74.2131.9175.1-63-91.2000110.9F99 E101 L103 F272 G274 R280 Q281 L284F99-F276 HydrophobicContact CB-CE1 3.83Å; F99-F276 HydrophobicContact CB-CZ 4.09Å; F99-F276 AromaticContact CD2-CE1 3.91Å; F99-F276 HydrophobicContact CD2-CE1 3.91Å; F99-F276 AromaticContact CD2-CZ 3.99Å; F99-F276 HydrophobicContact CD2-CZ 3.99Å; F99-F276 HydrophobicContact CG-CE1 4.03Å; F99-F276 HydrophobicContact CG-CZ 4.39Å; E101-F276 HydrophobicContact CB-CD1 3.76Å; E101-F276 HydrophobicContact CB-CE1 4Å; E101-F276 HydrophobicContact CB-CG 4.1Å; E101-F276 HydrophobicContact CG-CD1 4.46Å; L103-F276 WeakPolarHBondContact O-CE2 3.37Å; F272-F276 HydrophobicContact CB-CD2 3.83Å; F272-F276 HydrophobicContact CB-CE2 4.15Å; F272-F276 HydrophobicContact CB-CG 4.4Å; F272-F276 HydrophobicContact CD1-CD1 4.2Å; F272-F276 HydrophobicContact CD1-CD2 4.1Å; F272-F276 HydrophobicContact CD1-CE1 4.21Å; F272-F276 HydrophobicContact CD1-CE2 4.1Å; F272-F276 HydrophobicContact CD1-CG 4.14Å; F272-F276 HydrophobicContact CD1-CZ 4.15Å; F272-F276 HydrophobicContact CG-CD2 4.4Å; G274-F276 VanDerWaalsContact C-N 3.29Å; G274-F276 PolarHBondContact O-N 3.1Å; F276-R280 HydrophobicContact CD1-CG 4.12Å; F276-Q281 HydrophobicContact CB-CG 3.42Å; F276-Q281 VanDerWaalsContact CB-CG 3.42Å; F276-Q281 HydrophobicContact CG-CG 4.28Å; F276-Q281 PolarHBondContact O-NE2 3.12Å; F276-L284 HydrophobicContact CD1-CD1 4.04Å; F276-L284 HydrophobicContact CE1-CD1 3.83Å
277S83.9Confident80.6Confident57 Ų5753.8 Ų53.840%0.39928%0.282SS..  trans-66.7156.9169.697.40000111.3E279 R280 Q281S277-E279 VanDerWaalsContact C-N 3.25Å; S277-E279 VanDerWaalsContact CB-OE2 3.28Å; S277-E279 WeakPolarHBondContact CB-OE2 3.05Å; S277-E279 PolarHBondContact O-N 2.93Å; S277-E279 PolarHBondContact OG-N 3.12Å; S277-E279 PolarHBondContact OG-OE2 3.06Å; S277-R280 WeakPolarHBondContact O-CB 3.44Å; S277-R280 PolarHBondContact O-N 2.89Å; S277-R280 VanDerWaalsContact O-N 3.08Å; S277-R280 PolarHBondContact OG-N 3.29Å; S277-R280 VanDerWaalsContact OG-N 3.16Å; S277-Q281 WeakPolarHBondContact O-CG 3.23Å; S277-Q281 PolarHBondContact O-N 3.28Å
278M80.9Confident80.4Confident78 Ų7855.7 Ų55.738%0.38429%0.289SS..Hα-helixtrans-55.5-40.6177.5-88.9-61.1-45.200113.1K282 W292 P343M278-K282 WeakPolarHBondContact O-CB 3.09Å; M278-K282 PolarHBondContact O-N 3.32Å; M278-K282 VanDerWaalsContact O-N 3.07Å; M278-W292 HydrophobicContact CE-CZ2 3.58Å; M278-W292 HydrophobicContact SD-CZ2 4.12Å; M278-P343 HydrophobicContact CE-CB 4.27Å; M278-P343 HydrophobicContact CE-CG 3.39Å; M278-P343 HydrophobicContact SD-CG 3.46Å; M278-P343 WeakPolarHBondContact SD-CG 3.39Å
279E81.8Confident80Confident135 Ų13559.5 Ų59.563%0.63132%0.316SS*.Hα-helixtrans-69.3-38.2178.2-53.268-145.900110.6S277 A283S277-E279 VanDerWaalsContact C-N 3.25Å; S277-E279 VanDerWaalsContact CB-OE2 3.28Å; S277-E279 WeakPolarHBondContact CB-OE2 3.05Å; S277-E279 PolarHBondContact O-N 2.93Å; S277-E279 PolarHBondContact OG-N 3.12Å; S277-E279 PolarHBondContact OG-OE2 3.06Å; E279-A283 VanDerWaalsContact O-CB 3.27Å; E279-A283 WeakPolarHBondContact O-CB 3.33Å; E279-A283 PolarHBondContact O-N 3.27Å
280R82.3Confident79.6Confident94 Ų9459 Ų5936%0.35532%0.315SS..Hα-helixtrans-69.7-42.9177.9-173.458.6161.7158.3-0.5112.1E101 F276 S277 K282 A283 L284E101-R280 WeakPolarHBondContact OE1-CG 3.4Å; E101-R280 IonicContact OE1-CZ 3.46Å; E101-R280 IonicContact OE1-NE 3.75Å; E101-R280 PolarHBondContact OE1-NE 3.4Å; E101-R280 IonicContact OE1-NH2 2.98Å; E101-R280 PolarHBondContact OE1-NH2 3.13Å; F276-R280 HydrophobicContact CD1-CG 4.12Å; S277-R280 WeakPolarHBondContact O-CB 3.44Å; S277-R280 PolarHBondContact O-N 2.89Å; S277-R280 VanDerWaalsContact O-N 3.08Å; S277-R280 PolarHBondContact OG-N 3.29Å; S277-R280 VanDerWaalsContact OG-N 3.16Å; R280-K282 VanDerWaalsContact C-N 3.35Å; R280-A283 PolarHBondContact O-N 3.31Å; R280-L284 HydrophobicContact CG-CD1 4.17Å; R280-L284 WeakPolarHBondContact O-CB 3.32Å; R280-L284 VanDerWaalsContact O-CG 3.32Å; R280-L284 WeakPolarHBondContact O-CG 3.41Å; R280-L284 PolarHBondContact O-N 3.1Å
281Q82.4Confident79.2Confident32 Ų3262.7 Ų62.715%0.1533%0.33CS..Hα-helixtrans-60.9-45.4174.2-63.5177.133.500110.6F272 F276 S277 C285 W292F272-Q281 HydrophobicContact CB-CG 4.16Å; F272-Q281 HydrophobicContact CD1-CG 4.21Å; F272-Q281 HydrophobicContact CD2-CB 3.83Å; F272-Q281 HydrophobicContact CD2-CG 3.82Å; F272-Q281 HydrophobicContact CE2-CB 3.76Å; F272-Q281 HydrophobicContact CE2-CG 4.24Å; F272-Q281 HydrophobicContact CG-CB 4.25Å; F272-Q281 HydrophobicContact CG-CG 3.8Å; F272-Q281 HydrophobicContact CZ-CB 4.13Å; F272-Q281 VanDerWaalsContact CZ-O 3.29Å; F272-Q281 WeakPolarHBondContact CZ-O 3.39Å; F276-Q281 HydrophobicContact CB-CG 3.42Å; F276-Q281 VanDerWaalsContact CB-CG 3.42Å; F276-Q281 HydrophobicContact CG-CG 4.28Å; F276-Q281 PolarHBondContact O-NE2 3.12Å; S277-Q281 WeakPolarHBondContact O-CG 3.23Å; S277-Q281 PolarHBondContact O-N 3.28Å; Q281-C285 VanDerWaalsContact O-CB 3.3Å; Q281-C285 WeakPolarHBondContact O-CB 3.41Å; Q281-C285 PolarHBondContact O-N 3.15Å; Q281-W292 HydrophobicContact CB-CH2 3.37Å; Q281-W292 HydrophobicContact CB-CZ2 3.83Å; Q281-W292 HydrophobicContact CB-CZ3 3.92Å; Q281-W292 HydrophobicContact CG-CH2 4.33Å
282K80Confident78.8Confident60 Ų6062 Ų6226%0.26133%0.325SS..Hα-helixtrans-60.7-48.4174.3179.2176.4174.4-178.30112.4M278 R280 L284 C285 E286 W292M278-K282 WeakPolarHBondContact O-CB 3.09Å; M278-K282 PolarHBondContact O-N 3.32Å; M278-K282 VanDerWaalsContact O-N 3.07Å; R280-K282 VanDerWaalsContact C-N 3.35Å; K282-L284 PolarHBondContact O-N 3.39Å; K282-C285 WeakPolarHBondContact O-CA 3.24Å; K282-C285 VanDerWaalsContact O-CB 3.3Å; K282-C285 WeakPolarHBondContact O-CB 3.36Å; K282-C285 PolarHBondContact O-N 2.93Å; K282-C285 VanDerWaalsContact O-N 3.15Å; K282-E286 VanDerWaalsContact CE-CD 3.48Å; K282-E286 WeakPolarHBondContact CE-OE1 3.42Å; K282-E286 HydrophobicContact CG-CG 4.48Å; K282-E286 IonicContact NZ-OE1 3.57Å; K282-E286 WeakPolarHBondContact O-CG 3.43Å; K282-E286 PolarHBondContact O-N 3.14Å; K282-W292 HydrophobicContact CB-CB 4.45Å; K282-W292 HydrophobicContact CB-CD2 4.03Å; K282-W292 HydrophobicContact CB-CG 3.91Å; K282-W292 HydrophobicContact CD-CB 4.47Å; K282-W292 HydrophobicContact CD-CG 4.34Å; K282-W292 HydrophobicContact CG-CB 3.96Å; K282-W292 HydrophobicContact CG-CD2 4.48Å; K282-W292 HydrophobicContact CG-CG 3.88Å
283A79.8Confident78Confident50 Ų5060.8 Ų60.841%0.41332%0.32SS..Hα-helixtrans-63.8-40.5-17900000112.4E279 R280 F287E279-A283 VanDerWaalsContact O-CB 3.27Å; E279-A283 WeakPolarHBondContact O-CB 3.33Å; E279-A283 PolarHBondContact O-N 3.27Å; R280-A283 PolarHBondContact O-N 3.31Å; A283-F287 VanDerWaalsContact O-CB 3.23Å; A283-F287 WeakPolarHBondContact O-CB 3.45Å; A283-F287 PolarHBondContact O-N 3.48Å
284L82.5Confident76.9Confident9 Ų962.7 Ų62.75%0.04733%0.329CS..Hα-helixtrans-65.8-39.8172.8-70.3171.4000111F99 F272 F276 R280 K282 F287 F288F99-L284 HydrophobicContact CD2-CD1 4.43Å; F99-L284 HydrophobicContact CE1-CD1 4.46Å; F99-L284 HydrophobicContact CE1-CD2 3.82Å; F99-L284 HydrophobicContact CE2-CD1 4.22Å; F99-L284 HydrophobicContact CE2-CD2 4.44Å; F99-L284 HydrophobicContact CZ-CD1 4.24Å; F99-L284 HydrophobicContact CZ-CD2 3.7Å; F272-L284 HydrophobicContact CE1-CB 3.81Å; F272-L284 HydrophobicContact CE1-CD1 3.75Å; F272-L284 HydrophobicContact CE1-CG 4.43Å; F272-L284 HydrophobicContact CZ-CB 3.86Å; F276-L284 HydrophobicContact CD1-CD1 4.04Å; F276-L284 HydrophobicContact CE1-CD1 3.83Å; R280-L284 HydrophobicContact CG-CD1 4.17Å; R280-L284 WeakPolarHBondContact O-CB 3.32Å; R280-L284 VanDerWaalsContact O-CG 3.32Å; R280-L284 WeakPolarHBondContact O-CG 3.41Å; R280-L284 PolarHBondContact O-N 3.1Å; K282-L284 PolarHBondContact O-N 3.39Å; L284-F287 PolarHBondContact O-N 2.9Å; L284-F288 HydrophobicContact CD2-CE2 4.26Å; L284-F288 WeakPolarHBondContact O-CD2 3.19Å; L284-F288 PolarHBondContact O-N 3.43Å
285C82.4Confident75.3Confident0 Ų063.5 Ų63.50%032%0.32CS..Hα-helixtrans-57.3-54.2174-170.70000112.1M270 Q281 K282 F287 F288 S289 G290 F291 W292 C345M270-C285 VanDerWaalsContact CE-CA 3.49Å; M270-C285 HydrophobicContact CE-CB 4.1Å; Q281-C285 VanDerWaalsContact O-CB 3.3Å; Q281-C285 WeakPolarHBondContact O-CB 3.41Å; Q281-C285 PolarHBondContact O-N 3.15Å; K282-C285 WeakPolarHBondContact O-CA 3.24Å; K282-C285 VanDerWaalsContact O-CB 3.3Å; K282-C285 WeakPolarHBondContact O-CB 3.36Å; K282-C285 PolarHBondContact O-N 2.93Å; K282-C285 VanDerWaalsContact O-N 3.15Å; C285-F287 VanDerWaalsContact C-N 3.33Å; C285-F287 PolarHBondContact O-N 3.38Å; C285-F288 PolarHBondContact O-N 3.46Å; C285-S289 PolarHBondContact O-N 2.72Å; C285-G290 CarbonylContact C-O 3.53Å; C285-G290 WeakPolarHBondContact O-CA 3.42Å; C285-G290 PolarHBondContact O-N 3.23Å; C285-G290 PolarHBondContact SG-O 2.94Å; C285-F291 PolarHBondContact SG-O 3.09Å; C285-F291 VanDerWaalsContact SG-O 3.39Å; C285-W292 HydrophobicContact CB-CE3 3.87Å; C285-W292 HydrophobicContact CB-CZ3 4.48Å; C285-C345 WeakPolarHBondContact CA-SG 3.33Å; C285-C345 HydrophobicContact CB-CB 3.71Å; C285-C345 WeakPolarHBondContact CB-SG 3.39Å; C285-C345 WeakPolarHBondContact SG-CA 3.35Å; C285-C345 WeakPolarHBondContact SG-CB 3.25Å; C285-C345 CovalentContact SG-SG 2.03Å; C285-C345 PolarHBondContact SG-SG 2.8Å
286E78.9Confident73.2Confident105 Ų10557.4 Ų57.449%0.49129%0.29SS..Hα-helixtrans-62.4-39.2179.6-69174.7164.800111.6K282 F288 S289 G290K282-E286 VanDerWaalsContact CE-CD 3.48Å; K282-E286 WeakPolarHBondContact CE-OE1 3.42Å; K282-E286 HydrophobicContact CG-CG 4.48Å; K282-E286 IonicContact NZ-OE1 3.57Å; K282-E286 WeakPolarHBondContact O-CG 3.43Å; K282-E286 PolarHBondContact O-N 3.14Å; E286-F288 PolarHBondContact O-N 3.06Å; E286-S289 PolarHBondContact O-N 3.48Å; E286-G290 WeakPolarHBondContact CA-O 3.49Å
287F75.9Confident70.8Confident156 Ų15662.6 Ų62.668%0.68432%0.317SS*.Hα-helixtrans-61.1-43.9176.5-178-92.7000113.1A283 L284 C285 S289A283-F287 VanDerWaalsContact O-CB 3.23Å; A283-F287 WeakPolarHBondContact O-CB 3.45Å; A283-F287 PolarHBondContact O-N 3.48Å; L284-F287 PolarHBondContact O-N 2.9Å; C285-F287 VanDerWaalsContact C-N 3.33Å; C285-F287 PolarHBondContact O-N 3.38Å; F287-S289 PolarHBondContact O-N 2.99Å
288F73.8Confident68.2Low45 Ų4562.7 Ų62.720%0.19732%0.318CS..THydrogen-bonded Turntrans-83.720.7178.2-71.3-72.8000113.7F99 F106 L284 C285 E286F99-F288 HydrophobicContact CZ-CE2 4.44Å; F106-F288 HydrophobicContact CD1-CB 4.39Å; F106-F288 HydrophobicContact CD1-CG 4.29Å; F106-F288 HydrophobicContact CE1-CB 3.68Å; F106-F288 AromaticContact CE1-CD1 3.78Å; F106-F288 HydrophobicContact CE1-CD1 3.78Å; F106-F288 AromaticContact CE1-CD2 3.33Å; F106-F288 HydrophobicContact CE1-CD2 3.33Å; F106-F288 HydrophobicContact CE1-CE1 4.25Å; F106-F288 AromaticContact CE1-CE2 3.88Å; F106-F288 HydrophobicContact CE1-CE2 3.88Å; F106-F288 AromaticContact CE1-CG 3.3Å; F106-F288 HydrophobicContact CE1-CG 3.3Å; F106-F288 HydrophobicContact CE1-CZ 4.31Å; F106-F288 HydrophobicContact CE2-CE2 4.48Å; F106-F288 HydrophobicContact CZ-CD1 4.09Å; F106-F288 AromaticContact CZ-CD2 3.39Å; F106-F288 HydrophobicContact CZ-CD2 3.39Å; F106-F288 HydrophobicContact CZ-CE1 4.1Å; F106-F288 AromaticContact CZ-CE2 3.42Å; F106-F288 HydrophobicContact CZ-CE2 3.42Å; F106-F288 VanDerWaalsContact CZ-CE2 3.42Å; F106-F288 AromaticContact CZ-CG 3.77Å; F106-F288 HydrophobicContact CZ-CG 3.77Å; F106-F288 AromaticContact CZ-CZ 3.79Å; F106-F288 HydrophobicContact CZ-CZ 3.79Å; L284-F288 HydrophobicContact CD2-CE2 4.26Å; L284-F288 WeakPolarHBondContact O-CD2 3.19Å; L284-F288 PolarHBondContact O-N 3.43Å; C285-F288 PolarHBondContact O-N 3.46Å; E286-F288 PolarHBondContact O-N 3.06Å
289S69.6Low65.6Low81 Ų8163.8 Ų63.857%0.56633%0.329SS*.THydrogen-bonded Turntrans55.457-177.2-55.50000111.7C285 E286 F287 A348C285-S289 PolarHBondContact O-N 2.72Å; E286-S289 PolarHBondContact O-N 3.48Å; F287-S289 PolarHBondContact O-N 2.99Å; S289-A348 WeakPolarHBondContact O-CA 3.39Å; S289-A348 WeakPolarHBondContact O-CB 3.49Å; S289-A348 PolarHBondContact O-N 3.26Å
290G69.3Low63.1Low3 Ų366 Ų663%0.03134%0.337CS..EExtended strand (participates in β ladder)trans-128.1157.3168.900000111.9C285 E286 V346C285-G290 CarbonylContact C-O 3.53Å; C285-G290 WeakPolarHBondContact O-CA 3.42Å; C285-G290 PolarHBondContact O-N 3.23Å; C285-G290 PolarHBondContact SG-O 2.94Å; E286-G290 WeakPolarHBondContact CA-O 3.49Å; G290-V346 CarbonylContact C-O 3.56Å; G290-V346 WeakPolarHBondContact CA-O 3.22Å
291F69.8Low60.4Low83 Ų8367.5 Ų67.536%0.36435%0.352SS..EExtended strand (participates in β ladder)trans-102.7141.1174.1-67.5-64.8000111.7C285 C345 V346 A348 L351C285-F291 PolarHBondContact SG-O 3.09Å; C285-F291 VanDerWaalsContact SG-O 3.39Å; F291-C345 WeakPolarHBondContact O-CA 3.48Å; F291-V346 PolarHBondContact N-O 2.91Å; F291-V346 PolarHBondContact O-N 2.77Å; F291-A348 HydrophobicContact CD2-CB 3.97Å; F291-A348 HydrophobicContact CE2-CB 3.41Å; F291-A348 VanDerWaalsContact CE2-CB 3.41Å; F291-A348 WeakPolarHBondContact CE2-O 3Å; F291-A348 HydrophobicContact CZ-CB 4.05Å; F291-L351 HydrophobicContact CD1-CD1 4.02Å; F291-L351 HydrophobicContact CD2-CB 3.83Å; F291-L351 HydrophobicContact CD2-CD1 3.69Å; F291-L351 HydrophobicContact CD2-CG 4.21Å; F291-L351 HydrophobicContact CE1-CD1 3.68Å; F291-L351 HydrophobicContact CE2-CB 3.5Å; F291-L351 HydrophobicContact CE2-CD1 3.32Å; F291-L351 HydrophobicContact CE2-CG 3.99Å; F291-L351 HydrophobicContact CG-CD1 4.05Å; F291-L351 HydrophobicContact CZ-CB 4.3Å; F291-L351 HydrophobicContact CZ-CD1 3.33Å; F291-L351 HydrophobicContact CZ-CG 4.43Å
292W71.2Confident57.7Low29 Ų2971.5 Ų71.511%0.1138%0.379CS..EExtended strand (participates in β ladder)trans-96.9102.4-178.3-167.2-108.7000110.6F272 M278 Q281 K282 C285 P343 C345F272-W292 HydrophobicContact CD2-CZ3 4.37Å; F272-W292 HydrophobicContact CE2-CH2 4.39Å; F272-W292 AromaticContact CE2-CZ3 3.89Å; F272-W292 HydrophobicContact CE2-CZ3 3.89Å; M278-W292 HydrophobicContact CE-CZ2 3.58Å; M278-W292 HydrophobicContact SD-CZ2 4.12Å; Q281-W292 HydrophobicContact CB-CH2 3.37Å; Q281-W292 HydrophobicContact CB-CZ2 3.83Å; Q281-W292 HydrophobicContact CB-CZ3 3.92Å; Q281-W292 HydrophobicContact CG-CH2 4.33Å; K282-W292 HydrophobicContact CB-CB 4.45Å; K282-W292 HydrophobicContact CB-CD2 4.03Å; K282-W292 HydrophobicContact CB-CG 3.91Å; K282-W292 HydrophobicContact CD-CB 4.47Å; K282-W292 HydrophobicContact CD-CG 4.34Å; K282-W292 HydrophobicContact CG-CB 3.96Å; K282-W292 HydrophobicContact CG-CD2 4.48Å; K282-W292 HydrophobicContact CG-CG 3.88Å; C285-W292 HydrophobicContact CB-CE3 3.87Å; C285-W292 HydrophobicContact CB-CZ3 4.48Å; W292-P343 HydrophobicContact CH2-CB 4.47Å; W292-P343 HydrophobicContact CH2-CG 4.42Å; W292-P343 WeakPolarHBondContact CH2-O 3.22Å; W292-P343 HydrophobicContact CZ2-CB 3.74Å; W292-P343 HydrophobicContact CZ2-CG 3.61Å; W292-C345 HydrophobicContact CE3-CB 4.01Å; W292-C345 HydrophobicContact CZ3-CB 3.94Å
293C65.8Low55Low3 Ų374.6 Ų74.62%0.0240%0.403CS..EExtended strand (participates in β ladder)trans-102126.7-178.5-61.80000111.2P343 I344 D372 C376C293-P343 CarbonylContact O-C 3.59Å; C293-P343 WeakPolarHBondContact O-CA 3.4Å; C293-I344 PolarHBondContact N-O 3.28Å; C293-I344 PolarHBondContact O-N 3.43Å; C293-D372 WeakPolarHBondContact CB-O 3.17Å; C293-C376 HydrophobicContact CB-CB 4.18Å; C293-C376 WeakPolarHBondContact CB-SG 3.5Å; C293-C376 WeakPolarHBondContact SG-CB 3.37Å; C293-C376 CovalentContact SG-SG 2.04Å; C293-C376 PolarHBondContact SG-SG 3.31Å
294L57.3Low52.4Low83 Ų8376.9 Ų76.944%0.43541%0.412SS..PPolyproline II helixtrans-86119.6169.5-70.889000108.4S296 P343 N375L294-S296 PolarHBondContact O-N 2.9Å; L294-P343 HydrophobicContact CG-CB 4.22Å; L294-N375 WeakPolarHBondContact O-CB 3.48Å
295Q48.8Very low49.7Very low63 Ų6380.9 Ų80.929%0.29444%0.441SS..PPolyproline II helixtrans-61.2123.6172.4-164.9-179.123.500109.3L297 Q371Q295-L297 PolarHBondContact O-N 3.24Å; Q295-Q371 HydrophobicContact CG-CB 4.24Å
296S38.5Very low47Very low28 Ų2888 Ų8820%0.19648%0.478CS..PPolyproline II helixtrans-63.5128.9176.1-0.90000109.3L294 S298 N375L294-S296 PolarHBondContact O-N 2.9Å; S296-S298 PolarHBondContact O-N 3.07Å; S296-N375 WeakPolarHBondContact CB-OD1 3.49Å; S296-N375 WeakPolarHBondContact OG-CB 3.44Å; S296-N375 PolarHBondContact OG-OD1 2.86Å
297L33.1Very low44.3Very low121 Ų12190 Ų9063%0.63449%0.487SS*.  trans-64103.4160.7-166.575.8000106.8Q295 T299Q295-L297 PolarHBondContact O-N 3.24Å; L297-T299 HydrophobicContact CD2-CG2 4.13Å; L297-T299 PolarHBondContact O-N 2.94Å
298S28.5Very low41.8Very low59 Ų5989.5 Ų89.541%0.41349%0.487SS..  trans-64.991.8160.559.20000106.5S296 F300 Q371S296-S298 PolarHBondContact O-N 3.07Å; S298-F300 PolarHBondContact O-N 2.93Å; S298-Q371 PolarHBondContact OG-NE2 2.88Å
299T26.3Very low39.5Very low101 Ų10194.5 Ų94.562%0.6251%0.511SS*.  trans-59.493.3163.125.10000106.5L297 N301L297-T299 HydrophobicContact CD2-CG2 4.13Å; L297-T299 PolarHBondContact O-N 2.94Å; T299-N301 PolarHBondContact O-N 3.2Å
300F29.1Very low37.3Very low181 Ų18199.8 Ų99.879%0.79453%0.526SS*.  trans-56.790.8148.5-80.6-87000105.3S298 T302S298-F300 PolarHBondContact O-N 2.93Å; F300-T302 PolarHBondContact O-N 3.4Å
301N25.5Very low35.4Very low126 Ų126106.6 Ų106.667%0.67456%0.562SS**  trans-6191.1161.4-80.7-9.2000105T299 T303T299-N301 PolarHBondContact O-N 3.2Å; N301-T303 HydrophobicContact CB-CG2 4.4Å; N301-T303 PolarHBondContact O-N 2.88Å
302T25Very low33.2Very low116 Ų116111.6 Ų111.671%0.71258%0.584SS**  trans-60.883.2153.748.90000105.5F300 T304F300-T302 PolarHBondContact O-N 3.4Å; T302-T304 PolarHBondContact O-N 3.35Å
303T24.2Very low31.7Very low124 Ų124116.1 Ų116.176%0.76162%0.617SS**  trans-63.983.4161.647.70000105.5N301 S305N301-T303 HydrophobicContact CB-CG2 4.4Å; N301-T303 PolarHBondContact O-N 2.88Å; T303-S305 PolarHBondContact O-N 3.07Å
304T25.7Very low29.7Very low99 Ų99121 Ų12161%0.60765%0.651SS**  trans-59.991.5165.5480000106T302 N306T302-T304 PolarHBondContact O-N 3.35Å; T304-N306 PolarHBondContact O-N 3.33Å
305S24.5Very low28Very low93 Ų93122 Ų12265%0.6567%0.665SS**  trans-64.485.5163.2-176.30000106T303 H307T303-S305 PolarHBondContact O-N 3.07Å; S305-H307 PolarHBondContact O-N 2.92Å; S305-H307 PolarHBondContact OG-CD2 3.26Å; S305-H307 VanDerWaalsContact OG-CD2 3.27Å
306N25.5Very low26.9Very low148 Ų148126.5 Ų126.579%0.79169%0.69SS**  trans-72.973.8176.8-78.9-11.3000108.3T304T304-N306 PolarHBondContact O-N 3.33Å
307H23.3Very low26.4Very low147 Ų147133.1 Ų133.168%0.68172%0.723SS**  trans-76.1130.3162.3-90.7-72.2000109.8S305S305-H307 PolarHBondContact O-N 2.92Å; S305-H307 PolarHBondContact OG-CD2 3.26Å; S305-H307 VanDerWaalsContact OG-CD2 3.27Å
308H23.3Very low25.9Very low146 Ų146132.6 Ų132.668%0.67673%0.729SS**SBendtrans84.8117.6162.5-68-62.5000121.2
309H26.1Very low25.7Very low150 Ų150134.6 Ų134.669%0.69474%0.743SS**  trans6398.4138.5-67.3-62.4000120D311H309-D311 PolarHBondContact O-N 3.01Å
310Q23.3Very low25.8Very low192 Ų192134.9 Ų134.990%0.89775%0.749SS**  -42117.9126.8-61.9168.7-1200110.5
311D29Very low25.5Very low147 Ų147132.5 Ų132.579%0.78675%0.749SS**  trans-152.6154.5142.6-115.6-38.6000112.5H309H309-D311 PolarHBondContact O-N 3.01Å
312K23.7Very low25.4Very low188 Ų188131.2 Ų131.282%0.81775%0.75SS**  trans-57.2160.3-159.3-78.3164.7172.51680118.5
313P39.4Very low25.5Very low124 Ų124134.2 Ų134.281%0.80576%0.758SS**  trans-90.4125.6174.735.2-31.3000113.3
314S23.2Very low25.4Very low106 Ų106133.1 Ų133.174%0.74176%0.756SS**  trans-168.3128.2155.950.90000113.6
315S23.1Very low25.4Very low102 Ų102133.8 Ų133.871%0.71377%0.765SS**  trans48.4106149.659.50000120.9
316L25.3Very low25.5Very low158 Ų158134 Ų13483%0.82777%0.766SS**  36.1105.9121.6-72.8159000118.4
317L28Very low25.4Very low168 Ų168132.3 Ų132.388%0.8877%0.766SS**  trans-150.5116.3140.5-122136.2000111.6
318S22.8Very low25.6Very low109 Ų109132.5 Ų132.576%0.76277%0.771SS**  trans-96.2115.8179.7-51.90000110.2
319S23.7Very low25.6Very low102 Ų102130.6 Ų130.671%0.71377%0.77SS**  trans-177.291.315749.90000113.8
320S27.2Very low25.6Very low106 Ų106129 Ų12974%0.74177%0.773SS**  trans167.5108.3140.139.50000108
321T23.8Very low25.6Very low131 Ų131126.8 Ų126.880%0.80477%0.766SS**  36.3122.278.864.10000113.9
322S24.2Very low25.3Very low99 Ų99125.8 Ų125.869%0.69277%0.766SS**  cis-178.7128.2-1.640.80000108.1
323M26.9Very low25.4Very low179 Ų179122.8 Ų122.888%0.88276%0.759SS**  trans-158.377.8142.8-81.4-129.785.700107.8
324S22Very low24.7Very low102 Ų102124.3 Ų124.371%0.71376%0.755SS**  trans-74.1167.3158.143.20000109.9
325S25Very low24.8Very low113 Ų113127.9 Ų127.979%0.7976%0.76SS**  trans74.2116.9-169.179.50000114
326S25.9Very low24.8Very low96 Ų96129.6 Ų129.667%0.67176%0.761SS**  cis-142.7114.1-3.246.20000111.3L328S326-L328 PolarHBondContact O-N 2.93Å
327S24.2Very low24.9Very low114 Ų114128.2 Ų128.280%0.79775%0.753SS**  trans-70.683.8159.453.90000108T329S327-T329 PolarHBondContact O-N 3.07Å
328L27.2Very low25Very low150 Ų150124.7 Ų124.779%0.78574%0.735SS**  trans-6685.2159.8-84.2160.2000107S326 P330S326-L328 PolarHBondContact O-N 2.93Å; L328-P330 WeakPolarHBondContact O-CD 3.48Å
329T23.4Very low25.4Very low106 Ų106124.2 Ų124.265%0.6573%0.731SS**PPolyproline II helixtrans-48.7120160.645.50000106.8S327 L331S327-T329 PolarHBondContact O-N 3.07Å; T329-L331 PolarHBondContact O-N 3.25Å
330P26.5Very low26Very low118 Ų118121.5 Ų121.577%0.76671%0.712SS**PPolyproline II helixtrans-57.6121.317523.7-31.9000107.1L328 T332L328-P330 WeakPolarHBondContact O-CD 3.48Å; P330-T332 PolarHBondContact O-N 3.4Å; P330-T332 VanDerWaalsContact O-N 3.13Å
331L22.9Very low26.7Very low144 Ų144124.5 Ų124.575%0.75471%0.712SS**PPolyproline II helixtrans-51.7125.9175.9-105.871000107.5T329 N333T329-L331 PolarHBondContact O-N 3.25Å; L331-N333 PolarHBondContact O-N 3.16Å
332T21.9Very low28Very low126 Ų126123.7 Ų123.777%0.77370%0.699SS**  trans-67.477.5170.8460000108.8P330 Q334P330-T332 PolarHBondContact O-N 3.4Å; P330-T332 VanDerWaalsContact O-N 3.13Å; T332-Q334 WeakPolarHBondContact O-CG 3.44Å; T332-Q334 PolarHBondContact O-N 3.33Å
333N25.7Very low29.7Very low125 Ų125120.1 Ų120.167%0.66867%0.673SS**  trans-62.8107.6166.5-82.8-3.8000107L331 H335L331-N333 PolarHBondContact O-N 3.16Å; N333-H335 PolarHBondContact O-N 3.35Å
334Q25.7Very low31.6Very low157 Ų157112.7 Ų112.773%0.73464%0.637SS**THydrogen-bonded Turntrans-7427.2-166.8-62.6-177.1-75.100114.3T332 I337T332-Q334 WeakPolarHBondContact O-CG 3.44Å; T332-Q334 PolarHBondContact O-N 3.33Å; Q334-I337 WeakPolarHBondContact O-CD1 3.46Å
335H25.6Very low34Very low181 Ų181107.9 Ų107.984%0.83860%0.603SS**THydrogen-bonded Turntrans-96.6-2.7175.3-67.8-69.9000113.9N333 I337N333-H335 PolarHBondContact O-N 3.35Å; H335-I337 PolarHBondContact O-N 2.86Å; H335-I337 VanDerWaalsContact O-N 3.08Å
336N23.3Very low36Very low138 Ų138103.4 Ų103.474%0.73857%0.571SS**G310 helixtrans-72.510.6171.5-90.1-2000115.1L338 S339N336-L338 PolarHBondContact O-N 3.1Å; N336-S339 PolarHBondContact O-N 3.05Å
337I27.3Very low37.7Very low128 Ų128100.4 Ų100.466%0.65655%0.546SS*.G310 helixtrans-65.8-22.9-174.9-65.9177000112.4Q334 H335 S340Q334-I337 WeakPolarHBondContact O-CD1 3.46Å; H335-I337 PolarHBondContact O-N 2.86Å; H335-I337 VanDerWaalsContact O-N 3.08Å; I337-S340 PolarHBondContact O-OG 3.11Å
338L30Very low39.1Very low95 Ų9596.5 Ų96.550%0.49752%0.521SS..G310 helixtrans-102.920.5177.2-134.174.5000115.9S189 N336S189-L338 WeakPolarHBondContact O-CD2 3.34Å; N336-L338 PolarHBondContact O-N 3.1Å
339S31Very low40.3Very low99 Ų9992.4 Ų92.469%0.69250%0.502SS*.SBendtrans-89.315.3158.3-169.70000112.1N336N336-S339 PolarHBondContact O-N 3.05Å
340S35.4Very low41.3Very low45 Ų4589 Ų8932%0.31548%0.479SS..SBendtrans-88115.1-174.749.30000110.9I337 H342I337-S340 PolarHBondContact O-OG 3.11Å; S340-H342 PolarHBondContact O-N 2.7Å; S340-H342 PolarHBondContact O-ND1 3.47Å; S340-H342 PolarHBondContact OG-CE1 3.33Å; S340-H342 VanDerWaalsContact OG-CE1 3.23Å; S340-H342 PolarHBondContact OG-ND1 2.98Å; S340-H342 VanDerWaalsContact OG-ND1 3.13Å
341K42.9Very low41.8Very low168 Ų16887.1 Ų87.173%0.7346%0.463SS*.  trans27.613.2133.9-59.3-176.8178.4178.70121.7
342H50.9Low42.4Very low114 Ų11482.9 Ų82.953%0.52845%0.445SS..  trans-87.7126.1-176.3-69.190.1000108.9S340 I344S340-H342 PolarHBondContact O-N 2.7Å; S340-H342 PolarHBondContact O-ND1 3.47Å; S340-H342 PolarHBondContact OG-CE1 3.33Å; S340-H342 VanDerWaalsContact OG-CE1 3.23Å; S340-H342 PolarHBondContact OG-ND1 2.98Å; S340-H342 VanDerWaalsContact OG-ND1 3.13Å; H342-I344 WeakPolarHBondContact O-CG1 3.35Å
343P59Low42.8Very low24 Ų2482.8 Ų82.816%0.15644%0.439CS..  trans-62.1149.3168.923.6-28.6000110.3M278 W292 C293 L294M278-P343 HydrophobicContact CE-CB 4.27Å; M278-P343 HydrophobicContact CE-CG 3.39Å; M278-P343 HydrophobicContact SD-CG 3.46Å; M278-P343 WeakPolarHBondContact SD-CG 3.39Å; W292-P343 HydrophobicContact CH2-CB 4.47Å; W292-P343 HydrophobicContact CH2-CG 4.42Å; W292-P343 WeakPolarHBondContact CH2-O 3.22Å; W292-P343 HydrophobicContact CZ2-CB 3.74Å; W292-P343 HydrophobicContact CZ2-CG 3.61Å; C293-P343 CarbonylContact O-C 3.59Å; C293-P343 WeakPolarHBondContact O-CA 3.4Å; L294-P343 HydrophobicContact CG-CB 4.22Å
344I68.1Low43Very low24 Ų2483 Ų8312%0.12345%0.45CS..EExtended strand (participates in β ladder)trans-124.2134.9-155.3-55.2-170.9000109.8H269 C293 H342 V346 D372H269-I344 WeakPolarHBondContact ND1-CG2 3.42Å; C293-I344 PolarHBondContact N-O 3.28Å; C293-I344 PolarHBondContact O-N 3.43Å; H342-I344 WeakPolarHBondContact O-CG1 3.35Å; I344-V346 HydrophobicContact CB-CG2 4.48Å; I344-V346 HydrophobicContact CG2-CG2 3.88Å; I344-D372 WeakPolarHBondContact CD1-OD1 3.48Å
345C71Confident43.4Very low1 Ų176.6 Ų76.61%0.00742%0.421CS..EExtended strand (participates in β ladder)trans-88.9121.6165.9-170.70000111.5H269 M270 F272 C285 F291 W292H269-C345 WeakPolarHBondContact CA-O 3.46Å; M270-C345 HydrophobicContact CB-CB 3.95Å; M270-C345 HydrophobicContact CE-CB 3.99Å; M270-C345 WeakPolarHBondContact CE-SG 2.95Å; M270-C345 HydrophobicContact CG-CB 4.48Å; M270-C345 PolarHBondContact N-O 2.85Å; F272-C345 HydrophobicContact CE2-CB 4.25Å; C285-C345 WeakPolarHBondContact CA-SG 3.33Å; C285-C345 HydrophobicContact CB-CB 3.71Å; C285-C345 WeakPolarHBondContact CB-SG 3.39Å; C285-C345 WeakPolarHBondContact SG-CA 3.35Å; C285-C345 WeakPolarHBondContact SG-CB 3.25Å; C285-C345 CovalentContact SG-SG 2.03Å; C285-C345 PolarHBondContact SG-SG 2.8Å; F291-C345 WeakPolarHBondContact O-CA 3.48Å; W292-C345 HydrophobicContact CE3-CB 4.01Å; W292-C345 HydrophobicContact CZ3-CB 3.94Å
346V67.4Low43.6Very low19 Ų1971.5 Ų71.512%0.11540%0.404CS..EExtended strand (participates in β ladder)trans-118131.7-173.4167.20000107.2G290 F291 I344 M350G290-V346 CarbonylContact C-O 3.56Å; G290-V346 WeakPolarHBondContact CA-O 3.22Å; F291-V346 PolarHBondContact N-O 2.91Å; F291-V346 PolarHBondContact O-N 2.77Å; I344-V346 HydrophobicContact CB-CG2 4.48Å; I344-V346 HydrophobicContact CG2-CG2 3.88Å; V346-M350 HydrophobicContact CB-CE 4.17Å; V346-M350 HydrophobicContact CG1-CB 3.76Å; V346-M350 HydrophobicContact CG1-CE 3.35Å; V346-M350 HydrophobicContact CG1-CG 4.34Å; V346-M350 HydrophobicContact CG1-SD 3.83Å
347Q62.5Low44Very low32 Ų3270.1 Ų70.115%0.1540%0.397CS..EExtended strand (participates in β ladder)trans-53.8141.1179.6-163.6171.45.800112.7R55 W107 T349 M350R55-Q347 PolarHBondContact O-OE1 2.87Å; W107-Q347 HydrophobicContact CE3-CB 3.96Å; W107-Q347 HydrophobicContact CE3-CG 4.17Å; W107-Q347 HydrophobicContact CH2-CB 3.76Å; W107-Q347 HydrophobicContact CH2-CG 3.53Å; W107-Q347 HydrophobicContact CZ2-CG 4.02Å; W107-Q347 HydrophobicContact CZ3-CB 3.35Å; W107-Q347 HydrophobicContact CZ3-CG 3.62Å; Q347-T349 VanDerWaalsContact CD-OG1 3.23Å; Q347-T349 WeakPolarHBondContact CG-OG1 2.97Å; Q347-T349 PolarHBondContact O-N 2.97Å; Q347-T349 VanDerWaalsContact O-N 3.13Å; Q347-T349 PolarHBondContact OE1-OG1 3.42Å; Q347-M350 HydrophobicContact CB-CE 3.81Å; Q347-M350 WeakPolarHBondContact O-CB 3.49Å; Q347-M350 PolarHBondContact O-N 2.79Å
348A52.9Low44.1Very low33 Ų3367.1 Ų67.127%0.27339%0.387SS..G310 helixtrans-63.4-22-176.500000114.5S289 F291 M350 L351S289-A348 WeakPolarHBondContact O-CA 3.39Å; S289-A348 WeakPolarHBondContact O-CB 3.49Å; S289-A348 PolarHBondContact O-N 3.26Å; F291-A348 HydrophobicContact CD2-CB 3.97Å; F291-A348 HydrophobicContact CE2-CB 3.41Å; F291-A348 VanDerWaalsContact CE2-CB 3.41Å; F291-A348 WeakPolarHBondContact CE2-O 3Å; F291-A348 HydrophobicContact CZ-CB 4.05Å; A348-M350 PolarHBondContact O-N 2.89Å; A348-L351 PolarHBondContact O-N 2.05Å
349T52.5Low44Very low63 Ų6366.1 Ų66.139%0.38738%0.381SS..G310 helixtrans-61.5-19.9170.745.10000113.4R55 E56 Q347 L351R55-T349 WeakPolarHBondContact O-CB 3.5Å; R55-T349 PolarHBondContact O-OG1 3.14Å; E56-T349 WeakPolarHBondContact CG-O 3.47Å; Q347-T349 VanDerWaalsContact CD-OG1 3.23Å; Q347-T349 WeakPolarHBondContact CG-OG1 2.97Å; Q347-T349 PolarHBondContact O-N 2.97Å; Q347-T349 VanDerWaalsContact O-N 3.13Å; Q347-T349 PolarHBondContact OE1-OG1 3.42Å; T349-L351 VanDerWaalsContact C-N 3.34Å
350M44.2Very low44.1Very low34 Ų3468.5 Ų68.517%0.16739%0.386CS..G310 helixtrans-830.5175.7-72.5-175.8-86.700114.7E56 S268 V346 Q347 A348 C352E56-M350 HydrophobicContact CB-CG 4.1Å; S268-M350 WeakPolarHBondContact O-CE 3.44Å; V346-M350 HydrophobicContact CB-CE 4.17Å; V346-M350 HydrophobicContact CG1-CB 3.76Å; V346-M350 HydrophobicContact CG1-CE 3.35Å; V346-M350 HydrophobicContact CG1-CG 4.34Å; V346-M350 HydrophobicContact CG1-SD 3.83Å; Q347-M350 HydrophobicContact CB-CE 3.81Å; Q347-M350 WeakPolarHBondContact O-CB 3.49Å; Q347-M350 PolarHBondContact O-N 2.79Å; A348-M350 PolarHBondContact O-N 2.89Å; M350-C352 PolarHBondContact O-N 2.89Å
351L38.1Very low43.7Very low79 Ų7976.8 Ų76.841%0.41441%0.41SS..  trans-76.4117175-151.9162.3000109.8F291 A348 T349 D353F291-L351 HydrophobicContact CD1-CD1 4.02Å; F291-L351 HydrophobicContact CD2-CB 3.83Å; F291-L351 HydrophobicContact CD2-CD1 3.69Å; F291-L351 HydrophobicContact CD2-CG 4.21Å; F291-L351 HydrophobicContact CE1-CD1 3.68Å; F291-L351 HydrophobicContact CE2-CB 3.5Å; F291-L351 HydrophobicContact CE2-CD1 3.32Å; F291-L351 HydrophobicContact CE2-CG 3.99Å; F291-L351 HydrophobicContact CG-CD1 4.05Å; F291-L351 HydrophobicContact CZ-CB 4.3Å; F291-L351 HydrophobicContact CZ-CD1 3.33Å; F291-L351 HydrophobicContact CZ-CG 4.43Å; A348-L351 PolarHBondContact O-N 2.05Å; T349-L351 VanDerWaalsContact C-N 3.34Å; L351-D353 PolarHBondContact O-N 2.87Å
352C35.6Very low43.1Very low56 Ų5672 Ų7238%0.37840%0.395SS..  trans-66.478.5168-70.40000110.2M350 S354 L355 C358M350-C352 PolarHBondContact O-N 2.89Å; C352-S354 PolarHBondContact O-N 2.81Å; C352-L355 HydrophobicContact CB-CB 4.34Å; C352-L355 HydrophobicContact CB-CD1 3.85Å; C352-L355 HydrophobicContact CB-CG 4.23Å; C352-C358 VanDerWaalsContact CB-SG 3.52Å
353D30.8Very low42Very low124 Ų12471.5 Ų71.566%0.66340%0.402SS*.THydrogen-bonded Turntrans-55.999.1179.6-95-19.9000111L351 L355L351-D353 PolarHBondContact O-N 2.87Å; D353-L355 PolarHBondContact O-N 3.45Å
354S28.9Very low40.7Very low128 Ų12876.5 Ų76.590%0.89543%0.425SS*.THydrogen-bonded Turntrans58.238.5170.5-50.50000115.6C352C352-S354 PolarHBondContact O-N 2.81Å
355L34Very low38.9Very low24 Ų2482.9 Ų82.913%0.12646%0.459CS..  trans-93.6151-175.8-57.6-177.2000113.5C18 V20 C352 D353 D357 C358C18-L355 WeakPolarHBondContact O-CD2 3.42Å; V20-L355 HydrophobicContact CB-CD1 3.57Å; V20-L355 HydrophobicContact CG2-CD1 3.77Å; V20-L355 HydrophobicContact CG2-CD2 4.36Å; C352-L355 HydrophobicContact CB-CB 4.34Å; C352-L355 HydrophobicContact CB-CD1 3.85Å; C352-L355 HydrophobicContact CB-CG 4.23Å; D353-L355 PolarHBondContact O-N 3.45Å; L355-D357 VanDerWaalsContact C-N 3.25Å; L355-D357 PolarHBondContact O-N 2.8Å; L355-C358 WeakPolarHBondContact O-CA 3.02Å; L355-C358 WeakPolarHBondContact O-CB 3.09Å; L355-C358 PolarHBondContact O-N 2.88Å
356P30.5Very low37.1Very low73 Ų7391.2 Ų91.247%0.47450%0.498SS..G310 helixtrans-66.6-19.9-178.525.9-34.4000114.6C358 D359P356-C358 PolarHBondContact O-N 2.84Å; P356-D359 VanDerWaalsContact O-CB 3.26Å; P356-D359 WeakPolarHBondContact O-CB 3.35Å; P356-D359 PolarHBondContact O-N 2.88Å
357D30.7Very low35.5Very low110 Ų11092.9 Ų92.959%0.58851%0.508SS*.G310 helixtrans-73.2-8.6170.4-68.5-30000112.6L355L355-D357 VanDerWaalsContact C-N 3.25Å; L355-D357 PolarHBondContact O-N 2.8Å
358C30Very low34Very low65 Ų6598 Ų9844%0.43954%0.537SS..G310 helixtrans-104.815.5165.4-61.90000112.7C352 L355 P356 L360C352-C358 VanDerWaalsContact CB-SG 3.52Å; L355-C358 WeakPolarHBondContact O-CA 3.02Å; L355-C358 WeakPolarHBondContact O-CB 3.09Å; L355-C358 PolarHBondContact O-N 2.88Å; P356-C358 PolarHBondContact O-N 2.84Å; C358-L360 PolarHBondContact O-N 3.47Å
359D27.2Very low33.2Very low73 Ų7399.5 Ų99.539%0.3954%0.539SS..  trans-69.6101.9171.2-170.1-4000109.7P356 R361 V362P356-D359 VanDerWaalsContact O-CB 3.26Å; P356-D359 WeakPolarHBondContact O-CB 3.35Å; P356-D359 PolarHBondContact O-N 2.88Å; D359-R361 PolarHBondContact O-N 3Å; D359-R361 VanDerWaalsContact OD1-CB 3.26Å; D359-R361 WeakPolarHBondContact OD1-CB 3.43Å; D359-R361 WeakPolarHBondContact OD1-CD 3.14Å; D359-R361 VanDerWaalsContact OD1-CG 3.29Å; D359-R361 WeakPolarHBondContact OD1-CG 3.49Å; D359-R361 PolarHBondContact OD1-N 2.89Å; D359-V362 HydrophobicContact CB-CG2 4.38Å; D359-V362 PolarHBondContact O-N 2.81Å
360L33Very low32.7Very low150 Ų15097.4 Ų97.479%0.78553%0.527SS*.THydrogen-bonded Turntrans-52.7-6174.4-74.7157.8000114.5C358C358-L360 PolarHBondContact O-N 3.47Å
361R28.6Very low32.3Very low218 Ų218100.1 Ų100.182%0.82354%0.54SS*.THydrogen-bonded Turntrans-88.6-15174.4-61.9170.4172.6169.3-0.7114.1D359 P363D359-R361 PolarHBondContact O-N 3Å; D359-R361 VanDerWaalsContact OD1-CB 3.26Å; D359-R361 WeakPolarHBondContact OD1-CB 3.43Å; D359-R361 WeakPolarHBondContact OD1-CD 3.14Å; D359-R361 VanDerWaalsContact OD1-CG 3.29Å; D359-R361 WeakPolarHBondContact OD1-CG 3.49Å; D359-R361 PolarHBondContact OD1-N 2.89Å; R361-P363 WeakPolarHBondContact O-CD 3.04Å
362V30.2Very low32.4Very low69 Ų6997 Ų9742%0.41852%0.524SS..SBendtrans-81.1121.3174.7-177.10000109D359 M364D359-V362 HydrophobicContact CB-CG2 4.38Å; D359-V362 PolarHBondContact O-N 2.81Å; V362-M364 PolarHBondContact O-N 2.83Å
363P27.5Very low32.7Very low103 Ų10397.2 Ų97.267%0.66952%0.519SS*.  trans-61.7131.5178.4-23.734.8000111.9R361 N365R361-P363 WeakPolarHBondContact O-CD 3.04Å; P363-N365 PolarHBondContact O-N 3.28Å
364M30.8Very low33.1Very low129 Ų12992.7 Ų92.764%0.63550%0.499SS*.THydrogen-bonded Turntrans-52.31.2-173.2-76.3-82.1-175.800117.9V362V362-M364 PolarHBondContact O-N 2.83Å
365N31.7Very low33.4Very low158 Ų15889.8 Ų89.885%0.84547%0.473SS*.THydrogen-bonded Turntrans-92.3-0-177.6-74.6-0.6000114.6P363P363-N365 PolarHBondContact O-N 3.28Å
366Q31.9Very low33.4Very low176 Ų17691.4 Ų91.482%0.82249%0.486SS*.SBendtrans-122.2-8.4-178-74.8-170.8-900116.1
367V34.1Very low33.5Very low54 Ų5492.8 Ų92.833%0.32749%0.489SS..  trans-123.5112175.2-168.10000109.2L369V367-L369 HydrophobicContact CG1-CD1 4.43Å; V367-L369 HydrophobicContact CG1-CG 4.03Å; V367-L369 PolarHBondContact O-N 3.04Å
368N31.5Very low33.4Very low140 Ų14095.4 Ų95.475%0.74950%0.5SS*.  trans-75.964.8175.4-76.3-17000111R265R265-N368 PolarHBondContact NH2-O 2.78Å
369L35.3Very low33.4Very low63 Ų6397.6 Ų97.633%0.3351%0.506SS..  trans-63.9147.4160.1-71.5161.2000108.7V367 E373V367-L369 HydrophobicContact CG1-CD1 4.43Å; V367-L369 HydrophobicContact CG1-CG 4.03Å; V367-L369 PolarHBondContact O-N 3.04Å; L369-E373 HydrophobicContact CD2-CB 4.46Å; L369-E373 WeakPolarHBondContact CD2-OE2 3.1Å
370S41.3Very low33.4Very low19 Ų1998.5 Ų98.513%0.13352%0.516CS..  trans-72.2155.6177.165.90000110.4D372 E373 A374S370-D372 PolarHBondContact O-N 2.88Å; S370-D372 VanDerWaalsContact O-N 3.11Å; S370-E373 PolarHBondContact N-OE2 3.12Å; S370-E373 PolarHBondContact O-N 2.83Å; S370-E373 WeakPolarHBondContact OG-CG 3.34Å; S370-E373 PolarHBondContact OG-N 3.28Å; S370-E373 PolarHBondContact OG-OE2 3.46Å; S370-A374 PolarHBondContact O-N 3.39Å
371Q37.7Very low33.2Very low92 Ų9293.7 Ų93.743%0.4350%0.495SS..THydrogen-bonded Turntrans-59.5-19.4170.4-69.3-178.3-3100112.8Q295 S298Q295-Q371 HydrophobicContact CG-CB 4.24Å; S298-Q371 PolarHBondContact OG-NE2 2.88Å
372D38.9Very low32.9Very low14 Ų1491.4 Ų91.48%0.07550%0.499CS..THydrogen-bonded Turntrans-75.2-29.5174.7-50.6-60.7000111.7R110 C293 I344 S370 C376R110-D372 IonicContact CZ-OD1 2.86Å; R110-D372 IonicContact CZ-OD2 2.73Å; R110-D372 IonicContact NH1-OD1 3.89Å; R110-D372 PolarHBondContact NH1-OD1 2.78Å; R110-D372 IonicContact NH1-OD2 3.57Å; R110-D372 PolarHBondContact NH1-OD2 2.93Å; R110-D372 IonicContact NH2-OD1 2.99Å; R110-D372 PolarHBondContact NH2-OD1 2.97Å; R110-D372 IonicContact NH2-OD2 2.92Å; R110-D372 PolarHBondContact NH2-OD2 3.01Å; R110-D372 VanDerWaalsContact NH2-OD2 3.14Å; C293-D372 WeakPolarHBondContact CB-O 3.17Å; I344-D372 WeakPolarHBondContact CD1-OD1 3.48Å; S370-D372 PolarHBondContact O-N 2.88Å; S370-D372 VanDerWaalsContact O-N 3.11Å; D372-C376 PolarHBondContact O-SG 3.12Å
373E41.6Very low32.7Very low59 Ų5997.9 Ų97.928%0.27652%0.517SS..THydrogen-bonded Turntrans-92.6-38179.7-72.4153.2-169.800113.1Q57 R265 L369 S370 N375 C376Q57-E373 PolarHBondContact NE2-OE1 3.36Å; R265-E373 IonicContact CZ-OE2 3.47Å; R265-E373 IonicContact NH1-OE1 3.94Å; R265-E373 PolarHBondContact NH1-OE1 3Å; R265-E373 IonicContact NH1-OE2 2.89Å; R265-E373 PolarHBondContact NH1-OE2 2.82Å; L369-E373 HydrophobicContact CD2-CB 4.46Å; L369-E373 WeakPolarHBondContact CD2-OE2 3.1Å; S370-E373 PolarHBondContact N-OE2 3.12Å; S370-E373 PolarHBondContact O-N 2.83Å; S370-E373 WeakPolarHBondContact OG-CG 3.34Å; S370-E373 PolarHBondContact OG-N 3.28Å; S370-E373 PolarHBondContact OG-OE2 3.46Å; E373-N375 PolarHBondContact O-N 2.85Å; E373-C376 PolarHBondContact O-N 2.73Å
374A39.2Very low32.4Very low30 Ų3096.1 Ų96.125%0.24851%0.508CS..THydrogen-bonded Turntrans-58-18.2-17300000114.5S370S370-A374 PolarHBondContact O-N 3.39Å
375N35.2Very low32.2Very low67 Ų6795.7 Ų95.736%0.35852%0.515SS..THydrogen-bonded Turntrans-122.516.6177.6-92.254.9000114.1L294 S296 E373 N377L294-N375 WeakPolarHBondContact O-CB 3.48Å; S296-N375 WeakPolarHBondContact CB-OD1 3.49Å; S296-N375 WeakPolarHBondContact OG-CB 3.44Å; S296-N375 PolarHBondContact OG-OD1 2.86Å; E373-N375 PolarHBondContact O-N 2.85Å; N375-N377 PolarHBondContact O-N 3.02Å
376C33.7Very low31.8Very low57 Ų5796.9 Ų96.939%0.38551%0.512SS..  trans-70.140.4160.7-53.80000111.3C293 D372 E373 M378C293-C376 HydrophobicContact CB-CB 4.18Å; C293-C376 WeakPolarHBondContact CB-SG 3.5Å; C293-C376 WeakPolarHBondContact SG-CB 3.37Å; C293-C376 CovalentContact SG-SG 2.04Å; C293-C376 PolarHBondContact SG-SG 3.31Å; D372-C376 PolarHBondContact O-SG 3.12Å; E373-C376 PolarHBondContact O-N 2.73Å; C376-M378 PolarHBondContact O-N 2.85Å; C376-M378 VanDerWaalsContact O-N 3.15Å
377N32.7Very low31.6Very low103 Ų10393.7 Ų93.755%0.55151%0.505SS*.  trans-56.5124160.8-81.4-29.4000106.2N375 I379N375-N377 PolarHBondContact O-N 3.02Å; N377-I379 PolarHBondContact O-N 2.85Å
378M30.5Very low31.4Very low164 Ų16496.1 Ų96.181%0.80852%0.524SS*.  trans-57.688.6146.6176.6179.8150.200105.7C376 P380C376-M378 PolarHBondContact O-N 2.85Å; C376-M378 VanDerWaalsContact O-N 3.15Å; M378-P380 WeakPolarHBondContact O-CD 3.35Å
379I28.6Very low31.1Very low112 Ų11293.9 Ų93.957%0.57452%0.52SS*.  trans-50.8113.8151.5-61.2174.2000102.1N377 S381N377-I379 PolarHBondContact O-N 2.85Å; I379-S381 PolarHBondContact O-N 2.76Å
380P26.6Very low30.6Very low91 Ų91100.2 Ų100.259%0.59154%0.544SS*.  trans-63.5100.8169.2-11.127.7000102.7M378 N382M378-P380 WeakPolarHBondContact O-CD 3.35Å; P380-N382 PolarHBondContact O-N 2.93Å
381S29.1Very low29.9Very low50 Ų50106.8 Ų106.835%0.3558%0.577SS.*  trans-49.1130.6177.8-60.20000105.3I379 Y383I379-S381 PolarHBondContact O-N 2.76Å; S381-Y383 CarbonylContact O-C 3.58Å; S381-Y383 WeakPolarHBondContact O-CA 3.43Å; S381-Y383 PolarHBondContact O-N 3.34Å
382N22.7Very low29.4Very low170 Ų170112.3 Ų112.391%0.90960%0.596SS**SBendtrans-69.238.6-178.8-90.1-35000112.7P380 S384P380-N382 PolarHBondContact O-N 2.93Å; N382-S384 PolarHBondContact O-N 2.87Å
383Y26Very low28.8Very low204 Ų204120.6 Ų120.680%0.863%0.631SS**  -50.979.1127.7-66.6-66000109.3S381 P385S381-Y383 CarbonylContact O-C 3.58Å; S381-Y383 WeakPolarHBondContact O-CA 3.43Å; S381-Y383 PolarHBondContact O-N 3.34Å; Y383-P385 VanDerWaalsContact O-CD 3.28Å; Y383-P385 WeakPolarHBondContact O-CD 3.19Å
384S21.2Very low28.4Very low67 Ų67124.2 Ų124.247%0.46965%0.652SS.*  trans-38.1114.2140.2172.70000106.6N382 K386N382-S384 PolarHBondContact O-N 2.87Å; S384-K386 VanDerWaalsContact C-N 3.27Å; S384-K386 WeakPolarHBondContact O-CA 3.31Å; S384-K386 PolarHBondContact O-N 2.87Å
385P27.2Very low28Very low120 Ų120129.7 Ų129.778%0.77968%0.678SS**  trans-62.8101.8171.925.6-30.8000104.6Y383 T387Y383-P385 VanDerWaalsContact O-CD 3.28Å; Y383-P385 WeakPolarHBondContact O-CD 3.19Å; P385-T387 PolarHBondContact O-N 2.83Å
386K23.5Very low28.2Very low183 Ų183134.7 Ų134.780%0.79670%0.699SS**  trans-41.8115.5-155.5-78178.3177.3174.60109.9S384 S388S384-K386 VanDerWaalsContact C-N 3.27Å; S384-K386 WeakPolarHBondContact O-CA 3.31Å; S384-K386 PolarHBondContact O-N 2.87Å; K386-S388 PolarHBondContact O-N 2.81Å; K386-S388 PolarHBondContact O-OG 2.74Å
387T27.2Very low28.5Very low108 Ų108140.7 Ų140.766%0.66371%0.713SS**  trans-67.976.4158.739.80000108.3P385 S389P385-T387 PolarHBondContact O-N 2.83Å; T387-S389 PolarHBondContact O-N 2.94Å; T387-S389 PolarHBondContact O-OG 3.13Å
388S30.6Very low28.8Very low106 Ų106141.1 Ų141.174%0.74171%0.714SS**  trans-60.566135.253.70000107.7K386 K390K386-S388 PolarHBondContact O-N 2.81Å; K386-S388 PolarHBondContact O-OG 2.74Å; S388-K390 PolarHBondContact O-N 2.86Å
389S24.8Very low29.7Very low93 Ų93137.8 Ų137.865%0.6571%0.707SS**  trans-76.269.8178.649.90000108.9T387T387-S389 PolarHBondContact O-N 2.94Å; T387-S389 PolarHBondContact O-OG 3.13Å
390K23.6Very low30.4Very low195 Ų195141.2 Ų141.285%0.84872%0.718SS**  trans171.982.8160.7-96.7159.5-177.3-176.90109.3S388S388-K390 PolarHBondContact O-N 2.86Å
391L27.8Very low31.2Very low158 Ų158141.1 Ų141.183%0.82771%0.712SS**SBend-152.6108.4127.7-135.576.7000109.7
392Y25.8Very low31.9Very low207 Ų207142.9 Ų142.981%0.81272%0.722SS**  trans32.4115.7152.8-78.2-93.9000119.8D394Y392-D394 PolarHBondContact O-N 3.24Å
393K28.2Very low33.2Very low188 Ų188145.7 Ų145.782%0.81772%0.72SS**  -45.6116.1127.5-66.7172.4174.5177.20107.7
394D32.6Very low34.6Very low135 Ų135143 Ų14372%0.72272%0.718SS**  -178.4163.3115.4-81-23.3000110.5Y392Y392-D394 PolarHBondContact O-N 3.24Å
395D31.6Very low36.4Very low146 Ų146144.3 Ų144.378%0.78172%0.723SS**  trans68.685171.8-63.1-20.2000120.2W397D395-W397 VanDerWaalsContact C-N 3.32Å; D395-W397 PolarHBondContact O-N 3.45Å
396H38Very low37.6Very low172 Ų172143.8 Ų143.880%0.79671%0.713SS**  trans-54.481.3154.2-93.3-77.7000113.3I398 S399H396-I398 VanDerWaalsContact C-N 3.33Å; H396-I398 PolarHBondContact O-N 3.04Å; H396-S399 PolarHBondContact O-OG 3.31Å
397W39.7Very low39.5Very low183 Ų183138.5 Ų138.569%0.69370%0.703SS**G310 helixtrans-70.1-25.817460.1-91.2000113.9D395 S399 K400 L401D395-W397 VanDerWaalsContact C-N 3.32Å; D395-W397 PolarHBondContact O-N 3.45Å; W397-S399 PolarHBondContact O-N 3.2Å; W397-S399 VanDerWaalsContact O-N 3.12Å; W397-K400 PolarHBondContact O-N 3.39Å; W397-K400 VanDerWaalsContact O-N 3.16Å; W397-L401 HydrophobicContact CE3-CD1 3.97Å; W397-L401 HydrophobicContact CZ3-CD1 4.15Å
398I39.7Very low41.1Very low112 Ų112136.1 Ų136.157%0.57469%0.69SS**G310 helixtrans-63.5-18.5179.9-68170.8000112.8H396 K400H396-I398 VanDerWaalsContact C-N 3.33Å; H396-I398 PolarHBondContact O-N 3.04Å; I398-K400 VanDerWaalsContact C-N 3.29Å; I398-K400 PolarHBondContact O-N 3.1Å
399S48.8Very low43.4Very low93 Ų93135 Ų13565%0.6568%0.678SS**G310 helixtrans-72.9-14.8176.566.60000114.7H396 W397H396-S399 PolarHBondContact O-OG 3.31Å; W397-S399 PolarHBondContact O-N 3.2Å; W397-S399 VanDerWaalsContact O-N 3.12Å
400K43.1Very low45.6Very low185 Ų185133.8 Ų133.880%0.80467%0.668SS**G310 helixtrans-105.5-4.7-172.8-85.7-178.2175.7173.40115.7W397 I398W397-K400 PolarHBondContact O-N 3.39Å; W397-K400 VanDerWaalsContact O-N 3.16Å; I398-K400 VanDerWaalsContact C-N 3.29Å; I398-K400 PolarHBondContact O-N 3.1Å
401L43.8Very low48Very low88 Ų88127 Ų12746%0.46165%0.648SS.*SBendtrans-78124.6174.3-80.889.9000110.5W397 W403W397-L401 HydrophobicContact CE3-CD1 3.97Å; W397-L401 HydrophobicContact CZ3-CD1 4.15Å; L401-W403 PolarHBondContact O-N 2.67Å
402P44.9Very low50.5Low87 Ų87125 Ų12557%0.56564%0.637SS**  trans-66.1135.6-179.525.9-33000111.2I404 V405P402-I404 PolarHBondContact O-N 3.26Å; P402-V405 PolarHBondContact O-N 3Å
403W49.9Very low53.1Low230 Ų230120 Ų12087%0.87162%0.624SS**THydrogen-bonded Turntrans-55.9-15.9-170.1-7852.2000115.6L401 V405 L406 A407L401-W403 PolarHBondContact O-N 2.67Å; W403-V405 PolarHBondContact O-N 2.81Å; W403-L406 PolarHBondContact O-N 2.94Å; W403-A407 PolarHBondContact O-N 2.77Å
404I55.3Low55.5Low146 Ų146115.7 Ų115.775%0.74961%0.609SS**THydrogen-bonded Turntrans-58.4-33.6177.9-65167.4000111.9P402 P408P402-I404 PolarHBondContact O-N 3.26Å; I404-P408 VanDerWaalsContact O-CD 3.28Å; I404-P408 WeakPolarHBondContact O-CD 3.21Å
405V57.6Low57.6Low95 Ų95113 Ų11358%0.57660%0.6SS**THydrogen-bonded Turntrans-82.3-28.1-179-173.70000112.4P402 W403 P408P402-V405 PolarHBondContact O-N 3Å; W403-V405 PolarHBondContact O-N 2.81Å; V405-P408 WeakPolarHBondContact O-CD 3.43Å
406L54.1Low59.7Low110 Ų110108.2 Ų108.258%0.57658%0.58SS**THydrogen-bonded Turntrans-85.3-26.6-175.4-101.2159.8000114W403 P410W403-L406 PolarHBondContact O-N 2.94Å; L406-P410 WeakPolarHBondContact O-CD 3Å
407A62.5Low61.4Low71 Ų71104.8 Ų104.859%0.58757%0.567SS**THydrogen-bonded Turntrans-66.4-40.3179.900000116.2W403W403-A407 PolarHBondContact O-N 2.77Å
408P61.6Low63.2Low59 Ų59101.3 Ų101.338%0.38356%0.561SS.*Hα-helixtrans-76.5-26.6-176.727.8-34.6000114.1I404 V405 A411 I412I404-P408 VanDerWaalsContact O-CD 3.28Å; I404-P408 WeakPolarHBondContact O-CD 3.21Å; V405-P408 WeakPolarHBondContact O-CD 3.43Å; P408-A411 PolarHBondContact O-N 2.85Å; P408-I412 HydrophobicContact CB-CD1 4.36Å; P408-I412 VanDerWaalsContact O-CG1 3.28Å; P408-I412 WeakPolarHBondContact O-CG1 2.98Å; P408-I412 PolarHBondContact O-N 3.24Å
409V77.1Confident64.6Low82 Ų82105.3 Ų105.350%0.49757%0.569SS.*Hα-helixtrans-63.4-48.1-174.5-179.90000112.4A411 I412 L413V409-A411 VanDerWaalsContact C-N 3.34Å; V409-A411 PolarHBondContact O-N 3.3Å; V409-I412 PolarHBondContact O-N 3.47Å; V409-L413 HydrophobicContact CG1-CD1 4.43Å; V409-L413 PolarHBondContact O-N 2.65Å
410P71.5Confident65.7Low67 Ų67106.2 Ų106.244%0.43557%0.566SS.*Hα-helixtrans-62.2-38.2173.4-2334.3000113.1L406 L413 I414L406-P410 WeakPolarHBondContact O-CD 3Å; P410-L413 PolarHBondContact O-N 2.9Å; P410-I414 VanDerWaalsContact O-CG1 3.28Å; P410-I414 WeakPolarHBondContact O-CG1 3.37Å; P410-I414 PolarHBondContact O-N 2.79Å
411A75.1Confident66.5Low52 Ų52101.4 Ų101.443%0.4355%0.554SS.*Hα-helixtrans-66.5-38.6-179.500000112.3P408 V409 C415P408-A411 PolarHBondContact O-N 2.85Å; V409-A411 VanDerWaalsContact C-N 3.34Å; V409-A411 PolarHBondContact O-N 3.3Å; A411-C415 WeakPolarHBondContact O-CB 3.5Å; A411-C415 PolarHBondContact O-N 2.9Å; A411-C415 PolarHBondContact O-SG 3.13Å
412I79.5Confident66.9Low116 Ų116100.5 Ų100.560%0.59556%0.555SS**Hα-helixtrans-67.4-43.1174.4-67.7164.3000110.5P408 V409 C415 A416P408-I412 HydrophobicContact CB-CD1 4.36Å; P408-I412 VanDerWaalsContact O-CG1 3.28Å; P408-I412 WeakPolarHBondContact O-CG1 2.98Å; P408-I412 PolarHBondContact O-N 3.24Å; V409-I412 PolarHBondContact O-N 3.47Å; I412-C415 PolarHBondContact O-N 2.93Å; I412-A416 WeakPolarHBondContact O-CB 3.46Å; I412-A416 PolarHBondContact O-N 2.82Å
413L80.3Confident67Low102 Ų102103.2 Ų103.253%0.53456%0.56SS.*Hα-helixtrans-59.5-47.4175-95.6162.2000112.3V409 P410 C415 A416 L417V409-L413 HydrophobicContact CG1-CD1 4.43Å; V409-L413 PolarHBondContact O-N 2.65Å; P410-L413 PolarHBondContact O-N 2.9Å; L413-C415 VanDerWaalsContact C-N 3.34Å; L413-C415 PolarHBondContact O-N 3.24Å; L413-A416 PolarHBondContact O-N 2.73Å; L413-L417 WeakPolarHBondContact O-CG 3.12Å; L413-L417 PolarHBondContact O-N 3.32Å
414I79.8Confident66.7Low98 Ų9899.2 Ų99.250%0.50355%0.549SS..Hα-helixtrans-62.1-41.6176.6-68.2164.5000110.7P410 A416 L417 I418P410-I414 VanDerWaalsContact O-CG1 3.28Å; P410-I414 WeakPolarHBondContact O-CG1 3.37Å; P410-I414 PolarHBondContact O-N 2.79Å; I414-A416 PolarHBondContact O-N 2.74Å; I414-L417 PolarHBondContact O-N 3.38Å; I414-I418 HydrophobicContact CG2-CD1 3.79Å; I414-I418 HydrophobicContact CG2-CG1 4.46Å; I414-I418 VanDerWaalsContact O-CG1 3.27Å; I414-I418 WeakPolarHBondContact O-CG1 3.41Å; I414-I418 PolarHBondContact O-N 3.03Å
415C76.2Confident66Low80 Ų80101.7 Ų101.754%0.54155%0.549SS..Hα-helixtrans-65-36175.5-71.80000113.2A411 I412 L413 R419A411-C415 WeakPolarHBondContact O-CB 3.5Å; A411-C415 PolarHBondContact O-N 2.9Å; A411-C415 PolarHBondContact O-SG 3.13Å; I412-C415 PolarHBondContact O-N 2.93Å; L413-C415 VanDerWaalsContact C-N 3.34Å; L413-C415 PolarHBondContact O-N 3.24Å; C415-R419 PolarHBondContact O-N 3.29Å; C415-R419 VanDerWaalsContact O-N 3.12Å
416A75.7Confident64.7Low44 Ų44103.3 Ų103.336%0.36455%0.55SS.*Hα-helixtrans-66.5-46.9175.200000111.1I412 L413 I414 I418 R419 I420I412-A416 WeakPolarHBondContact O-CB 3.46Å; I412-A416 PolarHBondContact O-N 2.82Å; L413-A416 PolarHBondContact O-N 2.73Å; I414-A416 PolarHBondContact O-N 2.74Å; A416-I418 PolarHBondContact O-N 2.86Å; A416-R419 PolarHBondContact O-N 3.2Å; A416-I420 WeakPolarHBondContact O-CG1 3.23Å; A416-I420 PolarHBondContact O-N 2.93Å
417L74.5Confident63.8Low100 Ų100103.9 Ų103.952%0.52455%0.553SS.*Hα-helixtrans-58.6-46.6175.4-71.4168.5000111.7L413 I414 R419 I420 C421L413-L417 WeakPolarHBondContact O-CG 3.12Å; L413-L417 PolarHBondContact O-N 3.32Å; I414-L417 PolarHBondContact O-N 3.38Å; L417-R419 VanDerWaalsContact C-N 3.3Å; L417-R419 PolarHBondContact O-N 2.96Å; L417-I420 PolarHBondContact O-N 2.95Å; L417-C421 WeakPolarHBondContact O-CB 3.5Å; L417-C421 PolarHBondContact O-N 3.11Å; L417-C421 PolarHBondContact O-SG 2.96Å
418I76.3Confident62.7Low111 Ų111105 Ų10557%0.56955%0.549SS*.Hα-helixtrans-59.6-39.9176.7-69.2166.4000111.4I414 A416 S422I414-I418 HydrophobicContact CG2-CD1 3.79Å; I414-I418 HydrophobicContact CG2-CG1 4.46Å; I414-I418 VanDerWaalsContact O-CG1 3.27Å; I414-I418 WeakPolarHBondContact O-CG1 3.41Å; I414-I418 PolarHBondContact O-N 3.03Å; A416-I418 PolarHBondContact O-N 2.86Å; I418-S422 WeakPolarHBondContact O-CB 3.3Å; I418-S422 PolarHBondContact O-N 2.68Å
419R68.3Low61.5Low195 Ų195107.1 Ų107.174%0.73656%0.557SS**Hα-helixtrans-64.6-46.4175.6-88.6-171167.3-151.3-4.4112.7C415 A416 L417 S422 Q423C415-R419 PolarHBondContact O-N 3.29Å; C415-R419 VanDerWaalsContact O-N 3.12Å; A416-R419 PolarHBondContact O-N 3.2Å; L417-R419 VanDerWaalsContact C-N 3.3Å; L417-R419 PolarHBondContact O-N 2.96Å; R419-S422 PolarHBondContact O-N 2.82Å; R419-Q423 PolarHBondContact O-N 2.72Å; R419-Q423 VanDerWaalsContact O-N 3.14Å
420I73.5Confident59.5Low113 Ų113108.2 Ų108.258%0.57956%0.559SS**Hα-helixtrans-62.9-46.8-179.7-66.3163.2000110.1A416 L417 S422 Q423 K424A416-I420 WeakPolarHBondContact O-CG1 3.23Å; A416-I420 PolarHBondContact O-N 2.93Å; L417-I420 PolarHBondContact O-N 2.95Å; I420-S422 PolarHBondContact O-N 2.88Å; I420-Q423 PolarHBondContact O-N 2.9Å; I420-K424 PolarHBondContact O-N 2.69Å
421C58.3Low57.9Low84 Ų84112.3 Ų112.357%0.56857%0.572SS**Hα-helixtrans-66.5-35.5177.3-64.60000113L417 R425L417-C421 WeakPolarHBondContact O-CB 3.5Å; L417-C421 PolarHBondContact O-N 3.11Å; L417-C421 PolarHBondContact O-SG 2.96Å; C421-R425 PolarHBondContact O-N 2.88Å
422S53.7Low56Low69 Ų69115.9 Ų115.948%0.48358%0.584SS.*Hα-helixtrans-70.6-31.6179.5-175.30000113.6I418 R419 I420I418-S422 WeakPolarHBondContact O-CB 3.3Å; I418-S422 PolarHBondContact O-N 2.68Å; R419-S422 PolarHBondContact O-N 2.82Å; I420-S422 PolarHBondContact O-N 2.88Å
423Q46.1Very low53.7Low144 Ų144115.5 Ų115.567%0.67358%0.584SS**Hα-helixtrans-71.5-40.5177.3-76-177.6-32.200111.4R419 I420 R425 Q426 L427R419-Q423 PolarHBondContact O-N 2.72Å; R419-Q423 VanDerWaalsContact O-N 3.14Å; I420-Q423 PolarHBondContact O-N 2.9Å; Q423-R425 VanDerWaalsContact C-N 3.34Å; Q423-R425 PolarHBondContact O-N 2.71Å; Q423-Q426 PolarHBondContact O-N 2.69Å; Q423-Q426 VanDerWaalsContact O-N 3.12Å; Q423-L427 PolarHBondContact O-N 3.1Å
424K44.7Very low51.2Low146 Ų146117.2 Ų117.264%0.63559%0.593SS**Hα-helixtrans-60.4-42.6178.9-163.8166.4-174.31720112.2I420 Q426 L427 D428I420-K424 PolarHBondContact O-N 2.69Å; K424-Q426 PolarHBondContact O-N 3.26Å; K424-L427 PolarHBondContact O-N 3.09Å; K424-L427 VanDerWaalsContact O-N 3.1Å; K424-D428 PolarHBondContact O-N 2.78Å
425R38.7Very low48.8Very low197 Ų197118.1 Ų118.174%0.74360%0.599SS**Hα-helixtrans-66.9-16178.2-157.6178.6-175.5-173.92.9114.6C421 Q423C421-R425 PolarHBondContact O-N 2.88Å; Q423-R425 VanDerWaalsContact C-N 3.34Å; Q423-R425 PolarHBondContact O-N 2.71Å
426Q31.9Very low46.4Very low130 Ų130122.3 Ų122.361%0.60761%0.61SS**Hα-helixtrans-90.3-25.7172-74.8-167.7-24.300112.9Q423 K424 L429 I430Q423-Q426 PolarHBondContact O-N 2.69Å; Q423-Q426 VanDerWaalsContact O-N 3.12Å; K424-Q426 PolarHBondContact O-N 3.26Å; Q426-L429 PolarHBondContact O-N 3.04Å; Q426-I430 WeakPolarHBondContact O-CD1 3.33Å; Q426-I430 WeakPolarHBondContact O-CG1 3.01Å; Q426-I430 PolarHBondContact O-N 3.44Å
427L35.3Very low44.1Very low122 Ų122129.2 Ų129.264%0.63963%0.628SS**Hα-helixtrans-65.7-47.9173.7-133.576.1000110.4Q423 K424 L429 I430Q423-L427 PolarHBondContact O-N 3.1Å; K424-L427 PolarHBondContact O-N 3.09Å; K424-L427 VanDerWaalsContact O-N 3.1Å; L427-L429 PolarHBondContact O-N 3.34Å; L427-I430 PolarHBondContact O-N 3.05Å
428D39.1Very low41.6Very low93 Ų93131.8 Ų131.850%0.49764%0.642SS.*THydrogen-bonded Turntrans-58.2-17.8177.2-57.8-14.2000113.4K424K424-D428 PolarHBondContact O-N 2.78Å
429L35.2Very low39.2Very low104 Ų104135 Ų13555%0.54565%0.653SS.*THydrogen-bonded Turntrans-98.9-9.3179.4-86.9166000114.4Q426 L427 N433Q426-L429 PolarHBondContact O-N 3.04Å; L427-L429 PolarHBondContact O-N 3.34Å; L429-N433 PolarHBondContact O-ND2 2.99Å; L429-N433 VanDerWaalsContact O-ND2 3.07Å
430I35.3Very low37Very low105 Ų105132.1 Ų132.154%0.53865%0.652SS.*THydrogen-bonded Turntrans-95.1-31.2-179.7-68.5167.1000111.1Q426 L427 D432 N433Q426-I430 WeakPolarHBondContact O-CD1 3.33Å; Q426-I430 WeakPolarHBondContact O-CG1 3.01Å; Q426-I430 PolarHBondContact O-N 3.44Å; L427-I430 PolarHBondContact O-N 3.05Å; I430-D432 PolarHBondContact O-N 2.95Å; I430-N433 PolarHBondContact O-N 2.98Å
431E37.9Very low34.8Very low153 Ų153133.5 Ų133.572%0.71566%0.659SS**THydrogen-bonded Turntrans-62.9-39.6175.8-95.3177.3149.200112.7N433E431-N433 VanDerWaalsContact C-N 3.32Å; E431-N433 PolarHBondContact O-N 3.29Å
432D34.8Very low33.3Very low127 Ų127136.8 Ų136.868%0.67967%0.666SS**THydrogen-bonded Turntrans-67.4-25.6-178.7-75.8-16.4000114.4I430I430-D432 PolarHBondContact O-N 2.95Å
433N32.7Very low32Very low109 Ų109140.2 Ų140.258%0.58368%0.678SS**THydrogen-bonded Turntrans-93.3-13.5-168.8-81.7-60.5000115.4L429 I430 E431L429-N433 PolarHBondContact O-ND2 2.99Å; L429-N433 VanDerWaalsContact O-ND2 3.07Å; I430-N433 PolarHBondContact O-N 2.98Å; E431-N433 VanDerWaalsContact C-N 3.32Å; E431-N433 PolarHBondContact O-N 3.29Å
434N27.7Very low31.2Very low137 Ų137139.9 Ų139.973%0.73368%0.681SS**SBendtrans-87.1-6.6-179.2-80.9-18000114.2H436N434-H436 VanDerWaalsContact C-N 3.28Å; N434-H436 PolarHBondContact O-N 2.85Å
435N28.8Very low30.5Very low118 Ų118138.6 Ų138.663%0.63168%0.681SS**  trans-92.148.7174-73.7-26.3000112.4Y437N435-Y437 HydrophobicContact CB-CD2 4.33Å; N435-Y437 HydrophobicContact CB-CE2 4.45Å; N435-Y437 PolarHBondContact O-N 2.84Å
436H25.1Very low30Very low168 Ų168136.5 Ų136.578%0.77868%0.679SS**  trans-70.574.6163.4-109.275.5000109.7N434 N438N434-H436 VanDerWaalsContact C-N 3.28Å; N434-H436 PolarHBondContact O-N 2.85Å; H436-N438 PolarHBondContact O-N 3.25Å
437Y28.4Very low29.7Very low189 Ų189135.1 Ų135.174%0.74168%0.683SS**  trans-63.5100165-86.2-86.1000108.1N435 F439N435-Y437 HydrophobicContact CB-CD2 4.33Å; N435-Y437 HydrophobicContact CB-CE2 4.45Å; N435-Y437 PolarHBondContact O-N 2.84Å; Y437-F439 PolarHBondContact O-N 2.87Å
438N22Very low29.4Very low153 Ų153132.7 Ų132.782%0.81868%0.676SS**  trans-7179.3178.3-155.36.8000108.8H436 N440H436-N438 PolarHBondContact O-N 3.25Å; N438-N440 PolarHBondContact O-N 3.14Å
439F25.4Very low29Very low179 Ų179133 Ų13379%0.78568%0.682SS**  trans-62103.9176-111.9-87.9000108Y437 I441Y437-F439 PolarHBondContact O-N 2.87Å; F439-I441 PolarHBondContact O-N 3.33Å
440N22.7Very low28.6Very low134 Ų134135.6 Ų135.672%0.71769%0.693SS**  trans-74.295.8-177.4-162.5-5000108.8N438 H442N438-N440 PolarHBondContact O-N 3.14Å; N440-H442 PolarHBondContact O-N 3.3Å
441I26.4Very low28.3Very low142 Ų142137.3 Ų137.373%0.72870%0.702SS**G310 helixtrans-64.2-2.3-170.5-75.3166.1000113.6F439 N443F439-I441 PolarHBondContact O-N 3.33Å; I441-N443 VanDerWaalsContact C-N 3.25Å; I441-N443 PolarHBondContact O-N 2.92Å
442H27Very low28Very low154 Ų154134.7 Ų134.771%0.71370%0.7SS**G310 helixtrans-68.7-7.8-170.7-118.2-68.6000117.3N440N440-H442 PolarHBondContact O-N 3.3Å
443N27.5Very low27.8Very low140 Ų140136.1 Ų136.175%0.74971%0.708SS**G310 helixtrans-102.78.8-177.2-82.54.2000115.9I441I441-N443 VanDerWaalsContact C-N 3.25Å; I441-N443 PolarHBondContact O-N 2.92Å
444L28.6Very low27.6Very low137 Ų137134.3 Ų134.372%0.71770%0.704SS**G310 helixtrans-82.6-13.2176.3-118.2116.5000114.4
445N28.9Very low28.1Very low119 Ų119134.8 Ų134.864%0.63671%0.712SS**G310 helixtrans-84.8-2.9-175.2-73.5-7.2000115.1S448N445-S448 PolarHBondContact O-OG 3.33Å
446E28.9Very low28.2Very low153 Ų153133.3 Ų133.372%0.71571%0.707SS**G310 helixtrans-85.2-18.6171.8-69.7-167.5145.600113.2
447C26.5Very low28.8Very low102 Ų102132 Ų13269%0.68971%0.705SS**SBendtrans-80.9-21.2175.3-87.80000113.8I451C447-I451 WeakPolarHBondContact O-CD1 2.77Å
448S28.3Very low29Very low70 Ų70130.8 Ų130.849%0.4971%0.709SS.*SBendtrans-85.7-22.7-176.352.40000114.1N445N445-S448 PolarHBondContact O-OG 3.33Å
449T30.4Very low29.4Very low100 Ų100129.7 Ų129.761%0.61370%0.703SS**SBendtrans-91-14.9-174.250.50000114.7
450M26.7Very low29.5Very low159 Ų159125.5 Ų125.578%0.78369%0.686SS**SBendtrans-88.9-8.4177.3-84.8-76.5125.600114.6S452M450-S452 VanDerWaalsContact C-N 3.28Å; M450-S452 PolarHBondContact O-N 2.87Å
451I30.5Very low29.8Very low141 Ų141123 Ų12372%0.72368%0.678SS**THydrogen-bonded Turntrans-75-15.6-174.8-65.7175.1000112.8C447C447-I451 WeakPolarHBondContact O-CD1 2.77Å
452S31.3Very low29.9Very low98 Ų98122.2 Ų122.269%0.68568%0.675SS**THydrogen-bonded Turntrans-81.5-12.5-171.4-53.60000116.4M450M450-S452 VanDerWaalsContact C-N 3.28Å; M450-S452 PolarHBondContact O-N 2.87Å
453N29.4Very low29.9Very low156 Ų156121.8 Ų121.883%0.83467%0.672SS**SBendtrans-144.171.4-169.6-87.2-27.9000114.6
454S29.2Very low29.9Very low72 Ų72119 Ų11950%0.50366%0.662SS.*  trans-166.9123.9148.3-168.20000112.2T456S454-T456 PolarHBondContact O-N 2.98Å
455T38.1Very low29.8Very low147 Ų147117.5 Ų117.590%0.90265%0.654SS**  trans-93.227.7-174.841.60000114.6
456T31.4Very low29.6Very low86 Ų86116.8 Ų116.853%0.52865%0.647SS.*  trans-125.580.3176.650.40000112.1S454 I458 H460S454-T456 PolarHBondContact O-N 2.98Å; T456-I458 VanDerWaalsContact C-N 3.33Å; T456-I458 PolarHBondContact O-N 3.14Å; T456-H460 PolarHBondContact O-ND1 3.2Å
457I36.2Very low29.6Very low142 Ų142115.2 Ų115.273%0.72864%0.642SS**  trans-68.9-25.2-171.3-67.6173.5000113.6
458I34.6Very low29.5Very low162 Ų162117.9 Ų117.983%0.83164%0.644SS**THydrogen-bonded Turntrans-77.2-31.2-169.3-58179.5000113.1T456T456-I458 VanDerWaalsContact C-N 3.33Å; T456-I458 PolarHBondContact O-N 3.14Å
459D28.9Very low29.4Very low131 Ų131124 Ų12470%0.70166%0.658SS**THydrogen-bonded Turntrans-95.33.1-176.4-101.44.1000114.7
460H27.6Very low29Very low90 Ų90126.7 Ų126.742%0.41766%0.661SS.*THydrogen-bonded Turntrans-94.4-26.5-175.1-85.784.9000114.9T456 D462 K463 C464T456-H460 PolarHBondContact O-ND1 3.2Å; H460-D462 PolarHBondContact O-N 3.41Å; H460-K463 PolarHBondContact O-N 2.89Å; H460-C464 PolarHBondContact O-N 3.2Å; H460-C464 VanDerWaalsContact O-N 3.17Å
461C29.8Very low29Very low83 Ų83127.5 Ų127.556%0.56166%0.66SS**Hα-helixtrans-62.5-43.6-178.7-740000112.8K463 C464 I465C461-K463 VanDerWaalsContact C-N 3.28Å; C461-K463 PolarHBondContact O-N 2.83Å; C461-C464 PolarHBondContact O-N 2.99Å; C461-I465 WeakPolarHBondContact O-CG1 3.4Å; C461-I465 PolarHBondContact O-N 2.95Å; C461-I465 VanDerWaalsContact O-N 3.11Å
462D28.7Very low28.7Very low124 Ų124130 Ų13066%0.66367%0.666SS**Hα-helixtrans-65.8-28.6-179.2-80-4.6000113.3H460 Q466H460-D462 PolarHBondContact O-N 3.41Å; D462-Q466 WeakPolarHBondContact O-CG 3.28Å; D462-Q466 PolarHBondContact O-N 2.82Å
463K27Very low28.4Very low146 Ų146132.3 Ų132.364%0.63567%0.67SS**Hα-helixtrans-79.7-38.5176.1-79.5175.9179.7164.10112.7H460 C461 I465 Q466 I467H460-K463 PolarHBondContact O-N 2.89Å; C461-K463 VanDerWaalsContact C-N 3.28Å; C461-K463 PolarHBondContact O-N 2.83Å; K463-I465 VanDerWaalsContact C-N 3.34Å; K463-I465 PolarHBondContact O-N 2.89Å; K463-Q466 PolarHBondContact O-N 2.79Å; K463-I467 WeakPolarHBondContact O-CG1 3.38Å; K463-I467 PolarHBondContact O-N 3.35Å
464C26.6Very low28.1Very low82 Ų82130 Ų13055%0.55466%0.663SS**Hα-helixtrans-64.2-39.2175-74.20000112H460 C461 I467H460-C464 PolarHBondContact O-N 3.2Å; H460-C464 VanDerWaalsContact O-N 3.17Å; C461-C464 PolarHBondContact O-N 2.99Å; C464-I467 PolarHBondContact O-N 3.36Å
465I27.6Very low28Very low104 Ų104132.7 Ų132.753%0.53368%0.677SS.*Hα-helixtrans-67.9-39.4175.5-64.4172.4000111.1C461 K463 I467 Q468C461-I465 WeakPolarHBondContact O-CG1 3.4Å; C461-I465 PolarHBondContact O-N 2.95Å; C461-I465 VanDerWaalsContact O-N 3.11Å; K463-I465 VanDerWaalsContact C-N 3.34Å; K463-I465 PolarHBondContact O-N 2.89Å; I465-I467 VanDerWaalsContact C-N 3.32Å; I465-I467 PolarHBondContact O-N 3.25Å; I465-Q468 PolarHBondContact O-N 3.46Å
466Q24.4Very low27.1Very low105 Ų105132.7 Ų132.749%0.49167%0.666SS.*Hα-helixtrans-68-25.8174.8-77.5-159.233.400114.3D462 K463 Y469 K470D462-Q466 WeakPolarHBondContact O-CG 3.28Å; D462-Q466 PolarHBondContact O-N 2.82Å; K463-Q466 PolarHBondContact O-N 2.79Å; Q466-Y469 PolarHBondContact O-N 2.8Å; Q466-K470 WeakPolarHBondContact O-CB 3.49Å; Q466-K470 PolarHBondContact O-N 3.46Å
467I27.6Very low26.7Very low119 Ų119137.5 Ų137.561%0.6168%0.676SS**Hα-helixtrans-70.4-31.4177.1-71.9166.3000111.7K463 C464 I465 Y469K463-I467 WeakPolarHBondContact O-CG1 3.38Å; K463-I467 PolarHBondContact O-N 3.35Å; C464-I467 PolarHBondContact O-N 3.36Å; I465-I467 VanDerWaalsContact C-N 3.32Å; I465-I467 PolarHBondContact O-N 3.25Å; I467-Y469 VanDerWaalsContact C-N 3.33Å; I467-Y469 PolarHBondContact O-N 3.14Å
468Q25.8Very low25.9Very low159 Ų159139.5 Ų139.574%0.74368%0.68SS**Hα-helixtrans-66-33.8172.9-74.1-166.4-17.500112.7I465I465-Q468 PolarHBondContact O-N 3.46Å
469Y25.9Very low25.3Very low199 Ų199137.6 Ų137.678%0.7867%0.67SS**Hα-helixtrans-102-0.7-176.7-72.3-79.1000115.8Q466 I467Q466-Y469 PolarHBondContact O-N 2.8Å; I467-Y469 VanDerWaalsContact C-N 3.33Å; I467-Y469 PolarHBondContact O-N 3.14Å
470K22.5Very low24.8Very low155 Ų155139.6 Ų139.667%0.67468%0.677SS**  trans-110.910.4175.3-84.8178.9177.4162.10116.1Q466 K472Q466-K470 WeakPolarHBondContact O-CB 3.49Å; Q466-K470 PolarHBondContact O-N 3.46Å; K470-K472 PolarHBondContact O-N 3.21Å
471K25.6Very low24.5Very low177 Ų177142.9 Ų142.977%0.7769%0.69SS**SBendtrans-70.699.6152.7-85.8-173.1176.9177.20108.2L473K471-L473 PolarHBondContact O-N 3.2Å; K471-L473 VanDerWaalsContact O-N 3.11Å
472K24.3Very low24.1Very low193 Ų193147.1 Ų147.184%0.83970%0.702SS**  trans-40.3120.4163.2-74.9177.4173.4178.40108.2K470 P474K470-K472 PolarHBondContact O-N 3.21Å; K472-P474 WeakPolarHBondContact O-CD 3.32Å
473L24.6Very low23.7Very low146 Ų146149.3 Ų149.376%0.76471%0.705SS**  trans-52.1126.5163.1-90.471.5000107K471 T475K471-L473 PolarHBondContact O-N 3.2Å; K471-L473 VanDerWaalsContact O-N 3.11Å; L473-T475 PolarHBondContact O-N 2.72Å; L473-T475 VanDerWaalsContact O-N 3.12Å
474P23.8Very low23.4Very low108 Ų108149.4 Ų149.470%0.70171%0.712SS**  trans-57.6121167.8-20.932.7000107.4K472 H476K472-P474 WeakPolarHBondContact O-CD 3.32Å; P474-H476 PolarHBondContact O-N 2.92Å
475T26.3Very low23.2Very low128 Ų128155.5 Ų155.579%0.78572%0.724SS**SBendtrans-68.815.4-17737.70000113.9L473L473-T475 PolarHBondContact O-N 2.72Å; L473-T475 VanDerWaalsContact O-N 3.12Å
476H20.8Very low23Very low147 Ų147158.2 Ų158.268%0.68173%0.734SS**  trans-132.570.5177.7-65.5-16000109.6P474 F478P474-H476 PolarHBondContact O-N 2.92Å; H476-F478 VanDerWaalsContact C-N 3.3Å; H476-F478 HydrophobicContact CB-CD2 4.42Å; H476-F478 HydrophobicContact CB-CE2 4.3Å; H476-F478 PolarHBondContact O-N 3.18Å
477Y22.1Very low22.8Very low188 Ų188163.8 Ų163.874%0.73775%0.752SS**  trans-63.9102.5150.142.1-89.3000106.8I479Y477-I479 VanDerWaalsContact C-N 3.32Å; Y477-I479 HydrophobicContact CD2-CG1 4.22Å; Y477-I479 PolarHBondContact O-N 2.04Å
478F19.5Very low22.6Very low184 Ų184166.5 Ų166.581%0.80776%0.761SS**  trans-61.7101.4168.4-85.4-96.3000107.2H476 M480H476-F478 VanDerWaalsContact C-N 3.3Å; H476-F478 HydrophobicContact CB-CD2 4.42Å; H476-F478 HydrophobicContact CB-CE2 4.3Å; H476-F478 PolarHBondContact O-N 3.18Å; F478-M480 VanDerWaalsContact C-N 3.3Å; F478-M480 PolarHBondContact O-N 2.72Å
479I21.2Very low22.4Very low122 Ų122160.9 Ų160.963%0.62675%0.747SS**  trans-59.1104.7164-51.5176.6000104.9Y477 K481Y477-I479 VanDerWaalsContact C-N 3.32Å; Y477-I479 HydrophobicContact CD2-CG1 4.22Å; Y477-I479 PolarHBondContact O-N 2.04Å; I479-K481 HydrophobicContact CG2-CG 3.85Å; I479-K481 PolarHBondContact O-N 3.23Å
480M19.5Very low22.3Very low173 Ų173157 Ų15785%0.85275%0.748SS**  trans-6666.9159.1-84.8-81.8-82.500107.4F478 Q482F478-M480 VanDerWaalsContact C-N 3.3Å; F478-M480 PolarHBondContact O-N 2.72Å; M480-Q482 VanDerWaalsContact C-N 3.29Å; M480-Q482 PolarHBondContact O-N 3.15Å
481K20.5Very low22.5Very low158 Ų158156.8 Ų156.869%0.68775%0.753SS**  trans-54.4110.4150.4-83.2-174.4174.7-179.50103I479 K483I479-K481 HydrophobicContact CG2-CG 3.85Å; I479-K481 PolarHBondContact O-N 3.23Å; K481-K483 PolarHBondContact O-N 2.82Å
482Q21.1Very low22.5Very low172 Ų172154 Ų15480%0.80475%0.753SS**  trans-56.681.1139-76.8-174.9-700106.4M480 L484M480-Q482 VanDerWaalsContact C-N 3.29Å; M480-Q482 PolarHBondContact O-N 3.15Å; Q482-L484 PolarHBondContact O-N 2.75Å
483K20.2Very low23Very low170 Ų170147.6 Ų147.674%0.73974%0.742SS**  trans-50.398.6130.5-80.4-175.7174.1-179.40103.3K481 R485K481-K483 PolarHBondContact O-N 2.82Å; K483-R485 HydrophobicContact CB-CG 4.43Å; K483-R485 PolarHBondContact O-N 3.46Å
484L22.2Very low23.2Very low149 Ų149146.4 Ų146.478%0.7874%0.735SS**  trans-50.679.2138.3-77.9135.9000105.7Q482 H486Q482-L484 PolarHBondContact O-N 2.75Å; L484-H486 PolarHBondContact O-N 3.21Å; L484-H486 VanDerWaalsContact O-N 3.1Å
485R22Very low23.4Very low210 Ų210148.3 Ų148.379%0.79274%0.738SS**  trans-51.7120.4159.6-76.8-168.5-180-144.85.2102.7K483 Y487K483-R485 HydrophobicContact CB-CG 4.43Å; K483-R485 PolarHBondContact O-N 3.46Å; R485-Y487 VanDerWaalsContact C-N 3.29Å; R485-Y487 PolarHBondContact O-N 3.47Å
486H22.8Very low23.6Very low161 Ų161148.8 Ų148.875%0.74574%0.736SS**  trans-47.798-175.4-66.823.1000108.8L484 H488L484-H486 PolarHBondContact O-N 3.21Å; L484-H486 VanDerWaalsContact O-N 3.1Å; H486-H488 PolarHBondContact O-N 2.93Å
487Y20.8Very low23.7Very low222 Ų222151.4 Ų151.487%0.87174%0.74SS**  trans-77.982.4169.4-126.1-88.1000103.6R485 G489R485-Y487 VanDerWaalsContact C-N 3.29Å; R485-Y487 PolarHBondContact O-N 3.47Å; Y487-G489 PolarHBondContact O-N 2.7Å
488H22.6Very low24Very low175 Ų175148.2 Ų148.281%0.8174%0.735SS**  trans-67.263.9159-81.5-82.6000107.7H486H486-H488 PolarHBondContact O-N 2.93Å
489G22.6Very low24.3Very low42 Ų42145.9 Ų145.943%0.43373%0.73SS.*  trans-122.5101.4170.900000105.8Y487 I491Y487-G489 PolarHBondContact O-N 2.7Å; G489-I491 PolarHBondContact O-N 2.78Å; G489-I491 VanDerWaalsContact O-N 3.09Å
490S24Very low24.6Very low117 Ų117148 Ų14882%0.81874%0.735SS**  trans-62.6105.2-163.4-45.20000112.9
491I26Very low24.9Very low150 Ų150147.4 Ų147.477%0.76973%0.734SS**  trans-130.583.3163.8-52.4179.7000108.8G489G489-I491 PolarHBondContact O-N 2.78Å; G489-I491 VanDerWaalsContact O-N 3.09Å
492P26.5Very low25.1Very low119 Ų119145.1 Ų145.177%0.77374%0.739SS**  trans-70.3139.7177.5-13.428.9000111.5
493G34.4Very low25.3Very low59 Ų59140.8 Ų140.861%0.60873%0.727SS**SBendtrans104.6-7.2149.600000120.2
494I29.3Very low25.6Very low121 Ų121138.9 Ų138.962%0.62173%0.73SS**SBendtrans-96.4-41.2179.9-68.3-179.5000113.9N496 R497I494-N496 VanDerWaalsContact C-N 3.33Å; I494-N496 PolarHBondContact O-N 2.8Å; I494-R497 PolarHBondContact O-N 3.32Å; I494-R497 VanDerWaalsContact O-N 3.1Å
495L27.3Very low25.6Very low147 Ų147137.7 Ų137.777%0.7773%0.729SS**Hα-helixtrans-67.1-28-176.9-91.4128.4000114.2R497L495-R497 PolarHBondContact O-N 3.06Å
496N30.8Very low25.8Very low138 Ų138135.9 Ų135.974%0.73873%0.729SS**Hα-helixtrans-75.8-3173.8-917.6000114.7I494I494-N496 VanDerWaalsContact C-N 3.33Å; I494-N496 PolarHBondContact O-N 2.8Å
497R23.4Very low25.9Very low203 Ų203134.4 Ų134.477%0.76673%0.731SS**Hα-helixtrans-92.8-21.3174.1-95-174.4172.8-178-0.1114.4I494 L495I494-R497 PolarHBondContact O-N 3.32Å; I494-R497 VanDerWaalsContact O-N 3.1Å; L495-R497 PolarHBondContact O-N 3.06Å
498I27.2Very low26.2Very low121 Ų121130.6 Ų130.662%0.62173%0.726SS**Hα-helixtrans-79-38.5-179.5-61.3179.2000110.5K500I498-K500 PolarHBondContact O-N 2.87Å; I498-K500 VanDerWaalsContact O-N 3.14Å
499N26.7Very low26.3Very low134 Ų134129.2 Ų129.272%0.71773%0.725SS**THydrogen-bonded Turntrans-765.5179.3-68.88.7000114.9
500K27.9Very low26.4Very low168 Ų168136.3 Ų136.373%0.7375%0.746SS**THydrogen-bonded Turntrans-114.810.1179.5-102.2-169.3176.3-170.60115.1I498I498-K500 PolarHBondContact O-N 2.87Å; I498-K500 VanDerWaalsContact O-N 3.14Å
501L24.6Very low26.5Very low159 Ų159138 Ų13883%0.83275%0.745SS**SBendtrans-115.612.5-177.7-82.3164.7000114.8
502S25.8Very low26.4Very low111 Ų111136.4 Ų136.478%0.77674%0.738SS**SBendtrans-126.8-5.516963.40000114.7V504S502-V504 PolarHBondContact O-N 2.96Å
503S25.1Very low26.6Very low80 Ų80136.7 Ų136.756%0.55974%0.74SS**SBendtrans-78.4106.5167.554.30000109.1T505S503-T505 PolarHBondContact O-N 2.87Å
504V25.7Very low26.1Very low131 Ų131137.9 Ų137.979%0.79474%0.739SS**  trans-54.3132.7162.3175.10000107.3S502 E506S502-V504 PolarHBondContact O-N 2.96Å; V504-E506 PolarHBondContact O-N 2.79Å; V504-E506 VanDerWaalsContact O-N 3.09Å
505T22.5Very low25.9Very low124 Ų124139.8 Ų139.876%0.76175%0.748SS**  trans-59.5114.4-178.543.40000110.4S503 V507S503-T505 PolarHBondContact O-N 2.87Å; T505-V507 PolarHBondContact O-N 3.48Å
506E25.4Very low25.7Very low172 Ų172141.8 Ų141.880%0.80475%0.754SS**  trans-58.9133.2161.1-68.9174.2144.600108V504V504-E506 PolarHBondContact O-N 2.79Å; V504-E506 VanDerWaalsContact O-N 3.09Å
507V24.9Very low25.4Very low129 Ų129143.7 Ų143.778%0.78276%0.758SS**  trans-87109.3162.7175.60000104T505 D509T505-V507 PolarHBondContact O-N 3.48Å; V507-D509 PolarHBondContact O-N 3Å
508D26.9Very low25.3Very low142 Ų142143.8 Ų143.876%0.75977%0.767SS**  trans-59.3107.9174.9-69-54.6000108.8E510D508-E510 PolarHBondContact O-N 3.05Å
509D26Very low25.1Very low147 Ų147141.7 Ų141.779%0.78678%0.775SS**  trans-65.3114.2164.9-85.6-35.4000107.3V507 I511V507-D509 PolarHBondContact O-N 3Å; D509-I511 VanDerWaalsContact C-N 3.34Å; D509-I511 PolarHBondContact O-N 3.41Å
510E24.9Very low24.9Very low190 Ų190142.6 Ų142.689%0.88878%0.78SS**  trans-69.481.5-169.1-162.3169.6-148.100111.3D508 D512D508-E510 PolarHBondContact O-N 3.05Å; E510-D512 PolarHBondContact O-N 3.09Å
511I25.3Very low24.6Very low154 Ų154141.6 Ų141.679%0.7978%0.781SS**  trans-76.7102.2174.3-61.1178000109.1D509 P513D509-I511 VanDerWaalsContact C-N 3.34Å; D509-I511 PolarHBondContact O-N 3.41Å; I511-P513 WeakPolarHBondContact O-CD 3.42Å
512D23.5Very low24.4Very low116 Ų116141.5 Ų141.562%0.6278%0.781SS**  trans-50.5114.9176.9-168.8-35.4000112E510 S514E510-D512 PolarHBondContact O-N 3.09Å; D512-S514 PolarHBondContact O-N 3.31Å; D512-S514 WeakPolarHBondContact OD1-CB 3.29Å; D512-S514 PolarHBondContact OD1-N 3.03Å; D512-S514 PolarHBondContact OD1-OG 3.5Å
513P30.5Very low24.2Very low125 Ų125143 Ų14381%0.81278%0.78SS**SBendtrans-81.836.2-170.634.5-37.4000113.6I511I511-P513 WeakPolarHBondContact O-CD 3.42Å
514S24.6Very low23.9Very low84 Ų84147.9 Ų147.959%0.58780%0.796SS**  trans-95.86.4-175.6500000115.1D512D512-S514 PolarHBondContact O-N 3.31Å; D512-S514 WeakPolarHBondContact OD1-CB 3.29Å; D512-S514 PolarHBondContact OD1-N 3.03Å; D512-S514 PolarHBondContact OD1-OG 3.5Å
515I24.6Very low23.6Very low161 Ų161150.5 Ų150.583%0.82680%0.797SS**  trans-123.348.9176.5-39.6-176.8000112.7
516E24.3Very low23.6Very low188 Ų188150.4 Ų150.488%0.87980%0.799SS**  trans-125.564.1159-77.1-156.5145.200111.7
517Q23.8Very low23.5Very low179 Ų179150.8 Ų150.884%0.83681%0.805SS**  trans-131.475.5164.8-75.4-164.3-1.400111.9
518Q21.8Very low23.3Very low205 Ų205152 Ų15296%0.95881%0.808SS**  trans174.296.5148.1-95.5147.737.100110.2
519G22.6Very low22.9Very low76 Ų76152 Ų15278%0.78481%0.807SS**  trans-164.422-172.400000117.3
520N22.7Very low22.7Very low153 Ų153151.6 Ų151.682%0.81881%0.805SS**  trans37.794167.8-68.6-11.5000118.4L522N520-L522 PolarHBondContact O-N 3.4Å
521I21Very low22.7Very low147 Ų147148.3 Ų148.375%0.75479%0.794SS**  trans-58.6102.1162.9-61161.4000110.1N523I521-N523 HydrophobicContact CG2-CB 4.34Å; I521-N523 WeakPolarHBondContact CG2-ND2 3.3Å; I521-N523 PolarHBondContact O-N 3.41Å
522L20.6Very low22.5Very low157 Ų157147.5 Ų147.582%0.82279%0.791SS**  trans-94.278.8166-87.7169.7000110.5N520 M524N520-L522 PolarHBondContact O-N 3.4Å; L522-M524 PolarHBondContact O-N 2.03Å
523N20.7Very low22.7Very low142 Ų142149.6 Ų149.676%0.75980%0.802SS**  trans-67.297.1169.8-82.1-28.7000111I521 K525I521-N523 HydrophobicContact CG2-CB 4.34Å; I521-N523 WeakPolarHBondContact CG2-ND2 3.3Å; I521-N523 PolarHBondContact O-N 3.41Å; N523-K525 PolarHBondContact O-N 3.48Å
524M19Very low22.3Very low183 Ų183151.1 Ų151.190%0.90180%0.803SS**  trans-8396.1162.4-74.6-154.2177.800110.5L522L522-M524 PolarHBondContact O-N 2.03Å
525K20.8Very low22.3Very low186 Ų186153.9 Ų153.981%0.80981%0.812SS**PPolyproline II helixtrans-66.9146163.4-82.9-178.7172.8178.10110.2N523N523-K525 PolarHBondContact O-N 3.48Å
526P22.5Very low22.1Very low123 Ų123152.8 Ų152.880%0.79981%0.813SS**PPolyproline II helixtrans-68.4138.8178.128.4-34.4000111.5N528P526-N528 PolarHBondContact O-N 3.39Å
527L21.9Very low22.1Very low179 Ų179150.2 Ų150.294%0.93780%0.804SS**PPolyproline II helixtrans-68.3120.1171.5-91.885.2000110.1
528N21.6Very low21.9Very low156 Ų156151.2 Ų151.283%0.83481%0.805SS**PPolyproline II helixtrans-93.2150.7163.2-166.311000110.3P526P526-N528 PolarHBondContact O-N 3.39Å
529N19.3Very low21.9Very low141 Ų141147.5 Ų147.575%0.75480%0.797SS**PPolyproline II helixtrans-55136.3-174.7-169.613.7000114.1
530N21.7Very low21.6Very low138 Ų138153.3 Ų153.374%0.73880%0.8SS**  trans-160.7125.1150-122.8-17000115.1
531N23.4Very low21.5Very low122 Ų122153.3 Ų153.365%0.65280%0.8SS**  trans60.1120.3148.2-71.3-24.7000122.9
532N22.2Very low21.5Very low136 Ų136151.8 Ų151.873%0.72780%0.797SS**  41.4106126.8-65.1-15.1000118.6
533N26.9Very low21.5Very low160 Ų160154.2 Ų154.286%0.85680%0.801SS**  trans-136.1113.6134.8-100.4-41.1000110.5N535N533-N535 PolarHBondContact O-N 2.89Å
534N22Very low21.6Very low157 Ų157155 Ų15584%0.8481%0.805SS**  trans-65.9111.2166.9-77.3-32.9000108.5
535N25.3Very low21.6Very low142 Ų142150.7 Ų150.776%0.75979%0.793SS**  trans-140.692.9158.4-97.7-32.9000109.9N533 I537N533-N535 PolarHBondContact O-N 2.89Å; N535-I537 PolarHBondContact O-N 3.15Å
536T20.4Very low21.6Very low138 Ų138148.7 Ų148.785%0.84779%0.791SS**  trans-64.496166.837.90000110.5
537I23.8Very low21.6Very low135 Ų135151.7 Ų151.769%0.69279%0.794SS**  trans-109.397.4155.9-61.1-178.2000107.6N535 T539N535-I537 PolarHBondContact O-N 3.15Å; I537-T539 HydrophobicContact CG2-CG2 4.1Å; I537-T539 PolarHBondContact O-N 2.91Å
538K18.9Very low21.5Very low199 Ų199148.1 Ų148.187%0.86578%0.783SS**  trans-7694.4168.3-76.5176.9175.5172.50108.9
539T21.7Very low21.4Very low127 Ų127146.4 Ų146.478%0.77978%0.782SS**  trans-109.793.2162.435.80000109.8I537I537-T539 HydrophobicContact CG2-CG2 4.1Å; I537-T539 PolarHBondContact O-N 2.91Å
540K17.8Very low21.4Very low198 Ų198147.4 Ų147.486%0.86179%0.788SS**  trans-94.694.3174178.5-166.9179.1-174.70108.7
541L20.7Very low21.2Very low154 Ų154146 Ų14681%0.80679%0.788SS**  trans-145.398.9158.2-119.694000106.4
542T20.4Very low21Very low114 Ų114148 Ų14870%0.69980%0.798SS**  79.1121.6102.150.70000113.5D544T542-D544 PolarHBondContact O-N 2.87Å
543K20.5Very low20.9Very low209 Ų209150.9 Ų150.991%0.90980%0.804SS**  trans-60.6129167.9-59.7170177.2179.10108.3
544D21.9Very low20.5Very low158 Ų158150.9 Ų150.985%0.84580%0.799SS**  trans-128.7138.8146.9-93-47.5000109.4T542T542-D544 PolarHBondContact O-N 2.87Å
545S20.2Very low20.3Very low93 Ų93149.6 Ų149.665%0.6580%0.801SS**  trans-86160.3-175.648.60000112.1
546N21.1Very low19.9Very low144 Ų144153 Ų15377%0.7780%0.804SS**  trans78.891.6164.2-46.8-28.9000116.4
547H22.8Very low19.8Very low185 Ų185151.3 Ų151.386%0.85680%0.798SS**  -157.2150.9105.8-111.9-67.5000113.7
548C18.3Very low19.4Very low104 Ų104151.9 Ų151.970%0.70380%0.802SS**  trans-48.3143179.8-44.50000115
549C19.4Very low19.4Very low121 Ų121147.8 Ų147.882%0.81880%0.796SS**  175.114197.3-96.90000113.7
550N18.9Very low19.1Very low162 Ų162149.6 Ų149.687%0.86680%0.795SS**  trans-35.8125.5172.7-56.9-27.3000116.2
551S19.4Very low19.2Very low108 Ų108149.2 Ų149.276%0.75579%0.794SS**  -166140.2121.554.40000112.9
552L18.6Very low19Very low164 Ų164148.1 Ų148.186%0.85979%0.794SS**  trans6.1117.5157.6-64123.6000118.9
553K19.3Very low18.9Very low196 Ų196150.2 Ų150.285%0.85280%0.799SS**  -167.2141.9120.9-107.9161-174.1177.80114.5
554H20.1Very low18.8Very low160 Ų160148.4 Ų148.474%0.74179%0.791SS**  trans-29.4122.2170.9-58.9-90.2000116.7Y556H554-Y556 HydrophobicContact CB-CD2 4.19Å
555C17.7Very low18.8Very low130 Ų130146.6 Ų146.688%0.87878%0.777SS**  trans-8797.3149.1-67.60000108.8
556Y16.7Very low19Very low213 Ų213147 Ų14784%0.83577%0.773SS**  trans-84.5117152.6-87.2-83.2000108.1H554H554-Y556 HydrophobicContact CB-CD2 4.19Å
557S17.7Very low19.3Very low103 Ų103145.4 Ų145.472%0.7276%0.764SS**  trans-154.6125153.858.90000108.6
558L16.5Very low19.4Very low147 Ų147145 Ų14577%0.7777%0.768SS**  trans-59.5156.2168.5-7281000110.2E560L558-E560 HydrophobicContact CD2-CG 4.1Å
559P17.6Very low19.6Very low113 Ų113143.9 Ų143.973%0.73476%0.755SS**  -108.8114.2124.730.6-29.1000109.5F561P559-F561 HydrophobicContact CB-CD2 4.38Å; P559-F561 PolarHBondContact O-N 3.48Å
560E16.4Very low20.1Very low165 Ų165141.6 Ų141.677%0.77175%0.752SS**  trans-66.4122.5150.1-82.1-177.5119.900107.5L558L558-E560 HydrophobicContact CD2-CG 4.1Å
561F18.1Very low20.4Very low191 Ų191140.2 Ų140.284%0.83874%0.744SS**  trans-139.391.5150.5-86.3-69.9000109.8P559P559-F561 HydrophobicContact CB-CD2 4.38Å; P559-F561 PolarHBondContact O-N 3.48Å
562T16.7Very low20.8Very low131 Ų131141.6 Ų141.680%0.80474%0.743SS**  trans25.1125.8136.8-20.50000119.9
563I19.9Very low21.2Very low158 Ų158141.6 Ų141.681%0.8174%0.744SS**  trans-73.5138.9166.7-60.7155.6000110.5
564K18Very low21.5Very low170 Ų170138.5 Ų138.574%0.73974%0.737SS**  trans165.2145.9141.4-98.7166.7170.6-137.30116.5
565H21.2Very low21.6Very low120 Ų120134.2 Ų134.256%0.55674%0.736SS**  trans85.8126.4134.4-81.6-55.1000125
566D25.3Very low21.8Very low103 Ų103137.8 Ų137.855%0.55174%0.737SS**  99.5120.5122.5-67.1-22.1000121.8D569D566-D569 VanDerWaalsContact CA-CG 3.49Å; D566-D569 PolarHBondContact N-OD1 3.25Å; D566-D569 PolarHBondContact N-OD2 2.94Å; D566-D569 VanDerWaalsContact N-OD2 3.1Å
567N27.3Very low22Very low110 Ų110134.2 Ų134.259%0.58873%0.732SS**SBendtrans32.8103.4164.8-87.5-88000116.5D569N567-D569 VanDerWaalsContact C-N 3.31Å; N567-D569 WeakPolarHBondContact CA-O 3.41Å; N567-D569 VanDerWaalsContact CG-O 3.32Å; N567-D569 PolarHBondContact N-O 2.89Å; N567-D569 PolarHBondContact ND2-O 3.47Å
568D24.4Very low22.1Very low176 Ų176133.4 Ų133.494%0.94173%0.727SS**SBendcis-79.330.917.1-61.8-26000116.3
569D23.2Very low22.3Very low81 Ų81133.5 Ų133.543%0.43373%0.728SS.*SBendtrans-64.9132.2146.6-58.1-149.7000110.5D566 N567 D571D566-D569 VanDerWaalsContact CA-CG 3.49Å; D566-D569 PolarHBondContact N-OD1 3.25Å; D566-D569 PolarHBondContact N-OD2 2.94Å; D566-D569 VanDerWaalsContact N-OD2 3.1Å; N567-D569 VanDerWaalsContact C-N 3.31Å; N567-D569 WeakPolarHBondContact CA-O 3.41Å; N567-D569 VanDerWaalsContact CG-O 3.32Å; N567-D569 PolarHBondContact N-O 2.89Å; N567-D569 PolarHBondContact ND2-O 3.47Å; D569-D571 PolarHBondContact O-N 3.29Å
570G28.3Very low22.4Very low72 Ų72135.6 Ų135.674%0.74274%0.739SS**  82.125.5127.300000117.6
571D25.3Very low22.4Very low133 Ų133134.4 Ų134.471%0.71174%0.735SS**SBendtrans-82.9136.2140.7-85.4-18.8000109.1D569D569-D571 PolarHBondContact O-N 3.29Å
572D28.5Very low22.5Very low138 Ų138133.3 Ų133.374%0.73873%0.73SS**  trans66.285.9168.3-57.9-22000118.3N574D572-N574 PolarHBondContact O-N 2.94Å
573D27.3Very low22.5Very low163 Ų163137.9 Ų137.987%0.87273%0.734SS**  -20.298.5120.2-82.9-44.2000112.6
574N24.9Very low22.4Very low132 Ų132135.4 Ų135.471%0.70673%0.73SS**  trans-166.6117.7149.9-88.7-51.4000107.9D572 F576D572-N574 PolarHBondContact O-N 2.94Å; N574-F576 VanDerWaalsContact C-N 3.35Å; N574-F576 PolarHBondContact O-N 2.79Å
575G23.3Very low22.5Very low70 Ų70133.3 Ų133.372%0.72273%0.732SS**  81.617.860.700000112.5N577G575-N577 PolarHBondContact O-N 2.82Å
576F21.3Very low22.4Very low204 Ų204134.4 Ų134.490%0.89574%0.742SS**  trans-70.974.7169.8-91.2-77.9000112.7N574N574-F576 VanDerWaalsContact C-N 3.35Å; N574-F576 PolarHBondContact O-N 2.79Å
577N21Very low22.2Very low138 Ų138137.5 Ų137.574%0.73876%0.758SS**  trans-68.1166.4148.7-154.42.8000109.6G575G575-N577 PolarHBondContact O-N 2.82Å
578S20.3Very low21.8Very low87 Ų87135.6 Ų135.661%0.60876%0.764SS**SBendtrans63117.3168.947.20000120.2
579D20.3Very low21.5Very low148 Ų148135.5 Ų135.579%0.79176%0.762SS**  trans59.4107.4131.8-52.4-24.7000121.3
580V20.1Very low21.4Very low158 Ų158139.3 Ų139.396%0.95878%0.781SS**  trans-121.7129151.9-179.50000109.5
581M16.4Very low21Very low139 Ų139140.2 Ų140.269%0.68578%0.776SS**  trans-104.7153.7-166.9-82.3-174.3170.300114.5
582F18.5Very low20.7Very low169 Ų169141.4 Ų141.474%0.74178%0.782SS**  trans62.7149.5154.4-63.3-50.3000117.4
583Y17.9Very low20.4Very low227 Ų227144.9 Ų144.989%0.8979%0.785SS**  cis-134.2162.342-78.9-97000115.6
584S18.2Very low20Very low105 Ų105144.3 Ų144.373%0.73478%0.782SS**  trans-105.4145.6169.860.30000112
585V18.8Very low19.8Very low127 Ų127147.9 Ų147.977%0.7779%0.792SS**  trans-129.9112.8161.7-177.80000108.4
586N20.3Very low19.5Very low142 Ų142152.3 Ų152.376%0.75979%0.793SS**SBendtrans58.6106.3166-61.3-18.9000119.7
587N21Very low19.5Very low169 Ų169147.1 Ų147.190%0.90479%0.788SS**SBendtrans61.680.3148.2-63.8-8.9000119.2
588G19Very low19.3Very low69 Ų69147 Ų14771%0.71179%0.786SS**  trans-17677.6163.800000114.7I590G588-I590 PolarHBondContact O-N 2.77Å; G588-I590 VanDerWaalsContact O-N 3.13Å
589I18.2Very low19.2Very low175 Ų175147.8 Ų147.890%0.89779%0.792SS**  trans-74.9102.2172.9-57.9174.1000109.2
590I20.9Very low19Very low161 Ų161146.7 Ų146.783%0.82679%0.79SS**  trans-114.7106165.6-58.6-177.9000108.1G588 N592G588-I590 PolarHBondContact O-N 2.77Å; G588-I590 VanDerWaalsContact O-N 3.13Å; I590-N592 PolarHBondContact O-N 2.77Å
591S19.6Very low18.9Very low90 Ų90144.6 Ų144.663%0.62978%0.782SS**  trans-68.8124.6177.254.80000111R593S591-R593 PolarHBondContact O-N 2.76Å
592N19.8Very low19Very low159 Ų159143.5 Ų143.585%0.8579%0.787SS**  trans-67.2117.8175.2-160.6-3.4000109.1I590I590-N592 PolarHBondContact O-N 2.77Å
593R20.3Very low19Very low210 Ų210140 Ų14079%0.79278%0.784SS**  trans-96112.2179.4-80.3-169.9176.6-173.60.4110.4S591 F595S591-R593 PolarHBondContact O-N 2.76Å; R593-F595 PolarHBondContact O-N 2.76Å
594N19.6Very low19.1Very low152 Ų152135.3 Ų135.381%0.81378%0.783SS**  trans-29.5114.3172.4-59.2-13.3000114.4
595F20.1Very low19.1Very low207 Ų207139 Ų13991%0.90879%0.788SS**  trans-99.992.9153.9-98-87.6000109R593 A597R593-F595 PolarHBondContact O-N 2.76Å; F595-A597 PolarHBondContact O-N 2.79Å; F595-A597 VanDerWaalsContact O-N 3.16Å
596Q18.4Very low19.2Very low163 Ų163137.6 Ų137.676%0.76279%0.79SS**  trans-72.1100.1160.1-79.4-179.5-27.200108.1I598Q596-I598 VanDerWaalsContact C-N 3.3Å; Q596-I598 HydrophobicContact CB-CG1 4.47Å; Q596-I598 PolarHBondContact O-N 2.82Å
597A19.7Very low19.2Very low95 Ų95136.1 Ų136.179%0.78579%0.791SS**  trans-73.187.3165.600000108.8F595 S599F595-A597 PolarHBondContact O-N 2.79Å; F595-A597 VanDerWaalsContact O-N 3.16Å; A597-S599 PolarHBondContact O-N 2.74Å
598I17.5Very low19.2Very low136 Ų136134.2 Ų134.270%0.69779%0.786SS**  trans-70.3102.7171.2-62177.1000107.7Q596 T600Q596-I598 VanDerWaalsContact C-N 3.3Å; Q596-I598 HydrophobicContact CB-CG1 4.47Å; Q596-I598 PolarHBondContact O-N 2.82Å; I598-T600 HydrophobicContact CG2-CG2 4.28Å; I598-T600 PolarHBondContact O-N 3.27Å; I598-T600 VanDerWaalsContact O-N 3.08Å
599S17.8Very low19.5Very low103 Ų103137.9 Ų137.972%0.7279%0.789SS**  trans-73.488.317455.40000110.7A597 C601A597-S599 PolarHBondContact O-N 2.74Å; S599-C601 VanDerWaalsContact C-N 3.31Å; S599-C601 PolarHBondContact O-N 3.17Å; S599-C601 VanDerWaalsContact O-N 3.13Å
600T17.8Very low19.8Very low124 Ų124136.2 Ų136.276%0.76178%0.782SS**  trans-80.684.8162.451.10000109.3I598 S602I598-T600 HydrophobicContact CG2-CG2 4.28Å; I598-T600 PolarHBondContact O-N 3.27Å; I598-T600 VanDerWaalsContact O-N 3.08Å; T600-S602 PolarHBondContact O-N 2.66Å
601C18Very low20Very low115 Ų115135.5 Ų135.578%0.77778%0.78SS**  trans-65.9113.6164.5-64.20000109S599S599-C601 VanDerWaalsContact C-N 3.31Å; S599-C601 PolarHBondContact O-N 3.17Å; S599-C601 VanDerWaalsContact O-N 3.13Å
602S17.9Very low20.3Very low115 Ų115138.1 Ų138.180%0.80479%0.787SS**  trans-114.481.6158.4610000107.7T600 C604T600-S602 PolarHBondContact O-N 2.66Å; S602-C604 PolarHBondContact O-N 2.74Å
603S18.6Very low20.6Very low96 Ų96138 Ų13867%0.67179%0.786SS**  trans-67.6107.3171.345.50000109.7
604C18.7Very low20.6Very low128 Ų128139.1 Ų139.187%0.86579%0.79SS**  trans-102.697151.2-73.50000106.6S602 A606S602-C604 PolarHBondContact O-N 2.74Å; C604-A606 PolarHBondContact O-N 3.48Å
605E19.3Very low20.8Very low183 Ų183139.3 Ų139.386%0.85579%0.79SS**  trans-66.7124171-64167.414000108.3
606A20.1Very low21Very low98 Ų98135 Ų13581%0.8178%0.777SS**  trans-125.5104.816400000105.7C604C604-A606 PolarHBondContact O-N 3.48Å
607S21.5Very low21.4Very low111 Ų111133.1 Ų133.178%0.77678%0.776SS**  trans-62.5136.5-177.244.30000111.2
608T21.4Very low21.7Very low129 Ų129134.3 Ų134.379%0.79177%0.77SS**  trans-67.1129.3159.9470000109.3
609D24.5Very low22.2Very low146 Ų146134 Ų13478%0.78177%0.765SS**  trans-149.8112.4149.5-85-36.9000108.1
610D23.8Very low22.6Very low140 Ų140135.8 Ų135.875%0.74977%0.766SS**  trans40.6136.8142.6-57.8-13.6000124.5
611D24.9Very low23Very low146 Ų146135.7 Ų135.778%0.78176%0.76SS**  trans75.3116.1149.8-61.2-16.9000123
612D26Very low23.4Very low144 Ų144135.5 Ų135.577%0.7775%0.75SS**  trans47.182.2144.1-73.3-23.7000120
613D25.9Very low23.8Very low157 Ų157133.9 Ų133.984%0.8474%0.735SS**  trans-138.9102.4138.7-119.9-29000111.5L615D613-L615 PolarHBondContact O-N 2.8Å
614R22Very low24.1Very low233 Ų233135.6 Ų135.688%0.87973%0.732SS**  trans-73.479.3175.2-70173.479.4176.44.9109.4N616R614-N616 PolarHBondContact O-N 2.84Å
615L24.1Very low24.3Very low156 Ų156137.7 Ų137.782%0.81772%0.723SS**  trans-57.4100.7174.4-112.5160.1000110.4D613 V617D613-L615 PolarHBondContact O-N 2.8Å; L615-V617 PolarHBondContact O-N 3.01Å
616N23.4Very low24.7Very low117 Ų117135.2 Ų135.263%0.62671%0.711SS**  trans-7589.8-174.7-177.4-0.3000111R614 N618R614-N616 PolarHBondContact O-N 2.84Å; N616-N618 PolarHBondContact O-N 3.47Å; N616-N618 PolarHBondContact OD1-N 3.38Å
617V26.6Very low25Very low123 Ų123133.5 Ų133.575%0.74569%0.694SS**THydrogen-bonded Turntrans-66.5-14.9-177-177.50000113.1L615L615-V617 PolarHBondContact O-N 3.01Å
618N26.4Very low25.2Very low121 Ų121133 Ų13365%0.64768%0.681SS**THydrogen-bonded Turntrans-81.9-10.8-175.5-87.4-3.9000115.8N616N616-N618 PolarHBondContact O-N 3.47Å; N616-N618 PolarHBondContact OD1-N 3.38Å
619H27.2Very low25.4Very low129 Ų129134.5 Ų134.560%0.59768%0.679SS**Hα-helixtrans-75.8-26-179.1-153.268.3000114.2
620N26.8Very low25.5Very low140 Ų140131.1 Ų131.175%0.74967%0.672SS**Hα-helixtrans-88-4.9179.7-79.2-16.4000114.6
621L26.1Very low25.6Very low122 Ų122132.7 Ų132.764%0.63967%0.672SS**Hα-helixtrans-94.6-34.6172.7-140.775.9000112T623 H624L621-T623 PolarHBondContact O-N 2.89Å; L621-H624 PolarHBondContact O-N 3.38Å
622M25.6Very low25.6Very low112 Ų112133 Ų13355%0.55267%0.673SS**Hα-helixtrans-67-35.9-179-159.569.579.600112.8H624 Q626M622-H624 VanDerWaalsContact C-N 3.29Å; M622-H624 PolarHBondContact O-N 3.49Å; M622-Q626 PolarHBondContact O-N 3.2Å
623T28Very low25.5Very low80 Ų80135.6 Ų135.649%0.49168%0.678SS.*Hα-helixtrans-67-25.8177.145.30000113.6L621L621-T623 PolarHBondContact O-N 2.89Å
624H24.4Very low25.3Very low133 Ų133132.6 Ų132.662%0.61667%0.669SS**Hα-helixtrans-79.3-35.9-180-153.82.9000112.2L621 M622 S627L621-H624 PolarHBondContact O-N 3.38Å; M622-H624 VanDerWaalsContact C-N 3.29Å; M622-H624 PolarHBondContact O-N 3.49Å; H624-S627 PolarHBondContact O-OG 2.83Å
625Y23.3Very low25.4Very low171 Ų171131.2 Ų131.267%0.67167%0.67SS**Hα-helixtrans-78-38179.9-92.5-84.6000114.1S627 I628Y625-S627 PolarHBondContact O-N 2.94Å; Y625-I628 PolarHBondContact O-N 2.91Å
626Q27.2Very low25.2Very low131 Ų131129 Ų12961%0.61267%0.667SS**Hα-helixtrans-65.2-24.2177.8-71.3-173.3-8.800113.3M622 I628 A630M622-Q626 PolarHBondContact O-N 3.2Å; Q626-I628 PolarHBondContact O-N 2.76Å; Q626-A630 PolarHBondContact O-N 3.04Å
627S26.5Very low25Very low63 Ų63128.7 Ų128.744%0.44167%0.673SS.*Hα-helixtrans-68.6-17.4173.371.50000114.4H624 Y625H624-S627 PolarHBondContact O-OG 2.83Å; Y625-S627 PolarHBondContact O-N 2.94Å
628I25.6Very low24.6Very low99 Ų99130.3 Ų130.351%0.50868%0.677SS.*Hα-helixtrans-94.7-39.2-177.8-60.6176.5000111.4Y625 Q626 F631Y625-I628 PolarHBondContact O-N 2.91Å; Q626-I628 PolarHBondContact O-N 2.76Å; I628-F631 PolarHBondContact O-N 3.08Å
629E25.9Very low24.3Very low162 Ų162129.9 Ų129.976%0.75768%0.684SS**Hα-helixtrans-70.8-33.1175.7-74.4-158.4127.900113.3F631 N632E629-F631 PolarHBondContact O-N 2.89Å; E629-N632 PolarHBondContact O-N 3.21Å
630A26.5Very low24Very low75 Ų75131.7 Ų131.762%0.6270%0.697SS**G310 helixtrans-63-25.5175.300000113Q626Q626-A630 PolarHBondContact O-N 3.04Å
631F24.4Very low23.6Very low172 Ų172133.2 Ų133.275%0.75470%0.7SS**G310 helixtrans-80.1-14.3-175.7-129.8-86.6000114.4I628 E629I628-F631 PolarHBondContact O-N 3.08Å; E629-F631 PolarHBondContact O-N 2.89Å
632N25.2Very low23.3Very low152 Ų152135.2 Ų135.281%0.81371%0.705SS**G310 helixtrans-105.810.3-175.5-96.5-15.2000114.9E629E629-N632 PolarHBondContact O-N 3.21Å
633K25Very low23Very low200 Ų200135.9 Ų135.987%0.8772%0.716SS**SBendtrans-110.613.3178.4-88.5-178.2176.4171.50115.7
634S21.7Very low22.7Very low93 Ų93138 Ų13865%0.6573%0.734SS**  trans-126.661.7-176.556.40000115
635K23Very low22.4Very low205 Ų205137.7 Ų137.789%0.89174%0.742SS**  trans-168.394.8157.6-102.9159-173.8179.30107.2
636S20.3Very low22.3Very low109 Ų109137.4 Ų137.476%0.76275%0.747SS**  78.1137.370.1-169.40000113.5
637C19.5Very low22.1Very low111 Ų111139.4 Ų139.475%0.7576%0.761SS**  trans75101.8-176.9-52.70000113.9
638D18Very low21.8Very low156 Ų156142.1 Ų142.183%0.83478%0.775SS**  cis66.6128.944.2-72.3-41.8000117
639S19.8Very low21.5Very low113 Ų113148.2 Ų148.279%0.7979%0.791SS**  trans81156164.4770000120.3
640L21.5Very low21.2Very low166 Ų166149.5 Ų149.587%0.86980%0.8SS**  trans74.189.3-168.7-52.9171000113.4
641H19.1Very low20.8Very low173 Ų173153.8 Ų153.880%0.80181%0.813SS**  cis72135.638-123-84.8000115.5
642E19.4Very low20.6Very low163 Ų163148.9 Ų148.976%0.76281%0.81SS**  trans8194.3165.6-57.1-165.2149.200121.5
643T18.1Very low20.3Very low127 Ų127149 Ų14978%0.77981%0.81SS**  34.4124.3119.855.10000121.5
644S21.9Very low19.9Very low123 Ų123145.1 Ų145.186%0.8681%0.808SS**  -166.6155.5115.739.70000112.3
645T18.3Very low19.8Very low127 Ų127147.4 Ų147.478%0.77981%0.812SS**  trans-102.5174.1-176.643.10000112.5
646E21Very low19.5Very low166 Ų166142.5 Ų142.578%0.77680%0.803SS**  trans74.1115.2165.4-55.3-169.7130.500118.4
647N24.3Very low19.5Very low172 Ų172143.1 Ų143.192%0.9281%0.805SS**  -148.2125.6120.5-109.9-43.5000111.1
648V19.3Very low19.4Very low120 Ų120143.4 Ų143.473%0.72781%0.806SS**  trans-98164.7-178.8166.60000109.5
649R19.2Very low19.3Very low227 Ų227141.2 Ų141.286%0.85780%0.803SS**  trans77.1117.7168.7-92.3169.8175.7153.5-1.3117.6
650M20.7Very low19.4Very low189 Ų189141.5 Ų141.593%0.93181%0.805SS**  -150.786.3124.8-98.1-77.2-94.200108
651N18.3Very low19.1Very low166 Ų166139.4 Ų139.489%0.88880%0.8SS**  trans-81.1126.5165.9-86.3-2000108.1
652G18.9Very low19Very low69 Ų69137.7 Ų137.771%0.71180%0.802SS**  trans-14485.8-175.500000113.6
653L19.5Very low19Very low153 Ų153134.3 Ų134.380%0.80180%0.796SS**  trans5785.4151.3-65.8162.2000118.4I655L653-I655 HydrophobicContact CB-CG1 4.44Å; L653-I655 PolarHBondContact O-N 2.73Å
654S16.7Very low18.9Very low119 Ų119133.3 Ų133.383%0.83279%0.794SS**  trans-67.3117.4143.8530000109.9
655I19.1Very low18.9Very low142 Ų142133.9 Ų133.973%0.72879%0.786SS**  trans-112.8106.9169-61.8176.5000108.3L653L653-I655 HydrophobicContact CB-CG1 4.44Å; L653-I655 PolarHBondContact O-N 2.73Å
656S16.6Very low18.8Very low101 Ų101134.6 Ų134.671%0.70679%0.785SS**  trans-105.7115.8170.652.90000109.5
657P19.5Very low18.9Very low123 Ų123135.7 Ų135.780%0.79979%0.788SS**PPolyproline II helixtrans-73.1133.8169.7-11.827.9000110.3
658C17.6Very low18.6Very low116 Ų116134.1 Ų134.178%0.78478%0.779SS**PPolyproline II helixtrans-71.6155.3-176.1-62.60000113.7S660C658-S660 PolarHBondContact O-N 3.23Å
659S16.9Very low18.7Very low110 Ų110135.5 Ų135.577%0.76978%0.783SS**PPolyproline II helixtrans-47.5127.2155.448.20000112.7
660S20.7Very low18.9Very low119 Ų119132 Ų13283%0.83278%0.781SS**  trans-102.195.9168.957.90000111C658C658-S660 PolarHBondContact O-N 3.23Å
661T15.6Very low18.9Very low123 Ų123126.1 Ų126.176%0.75577%0.769SS**  trans-98.3112.3160.546.40000109.2
662T17.3Very low19.1Very low137 Ų137124.8 Ų124.884%0.8476%0.762SS**  trans-170.7150150.520.40000113.2
663S19.1Very low19.2Very low91 Ų91130 Ų13064%0.63677%0.765SS**  trans55.8102.1156.855.50000119.2
664S16.8Very low19.3Very low107 Ų107133.9 Ų133.975%0.74877%0.769SS**  -29.9129.6129.548.90000113.4
665I21.2Very low19.4Very low135 Ų135135.8 Ų135.869%0.69277%0.77SS**  trans-119.2101.4155.9-62.1179.8000106.3F667I665-F667 HydrophobicContact CG2-CD2 3.65Å; I665-F667 HydrophobicContact CG2-CE2 3.91Å; I665-F667 PolarHBondContact O-N 3.13Å
666D17.4Very low19.5Very low142 Ų142134.3 Ų134.376%0.75977%0.769SS**  trans-67.1120.7163.6-75.9-50.5000108.7
667F21.4Very low19.7Very low188 Ų188137.1 Ų137.183%0.82577%0.773SS**  trans-118.287.8155.2-99.2-74000108.9I665 N669I665-F667 HydrophobicContact CG2-CD2 3.65Å; I665-F667 HydrophobicContact CG2-CE2 3.91Å; I665-F667 PolarHBondContact O-N 3.13Å; F667-N669 PolarHBondContact O-N 3.26Å
668N17.9Very low19.8Very low139 Ų139138.5 Ų138.574%0.74377%0.772SS**  trans-61.4118.2149.3-79.6-40.8000107.7
669N22.9Very low19.9Very low149 Ų149139.7 Ų139.780%0.79777%0.77SS**  -169.3134.6128-98.9-11.8000112.5F667F667-N669 PolarHBondContact O-N 3.26Å
670D22.5Very low20Very low154 Ų154139.6 Ų139.682%0.82477%0.77SS**  trans-3.4136.9156.1-62.9-42.9000120.1
671G20.1Very low20Very low66 Ų66141.9 Ų141.968%0.6877%0.773SS**  100.9112.3114.300000118.2
672N22.5Very low20.4Very low137 Ų137141.1 Ų141.173%0.73377%0.772SS**  trans67.6109.5152-76-54.6000120.2
673K22.5Very low20.6Very low180 Ų180140.5 Ų140.578%0.78377%0.774SS**  64.9120.2122.5-67.8175.5-178.5168.80119.6
674R21.3Very low20.9Very low233 Ų233141.2 Ų141.288%0.87978%0.779SS**  trans84112.3151.1-65176.1173.6-178.3-2.7117.1P676R674-P676 WeakPolarHBondContact O-CD 3.27Å
675N18.4Very low21.1Very low159 Ų159144.1 Ų144.185%0.8579%0.786SS**  trans-48.2130157.6-53.3-9.9000111.6
676P21.7Very low21.3Very low111 Ų111144.6 Ų144.672%0.72179%0.79SS**  trans-92.9110.114531-21.4000108.6R674 I678R674-P676 WeakPolarHBondContact O-CD 3.27Å; P676-I678 PolarHBondContact O-N 2.78Å
677M20.4Very low21.5Very low160 Ų160143.2 Ų143.279%0.78879%0.791SS**  trans-68.7108.3167.4169.3177150.100108.5L679M677-L679 HydrophobicContact CE-CD1 4.44Å; M677-L679 HydrophobicContact CE-CD2 4.03Å; M677-L679 HydrophobicContact CE-CG 4.17Å
678I20.8Very low21.5Very low152 Ų152141.8 Ų141.878%0.77979%0.787SS**PPolyproline II helixtrans-102.6120.2167-62-179.4000107.2P676P676-I678 PolarHBondContact O-N 2.78Å
679L21.3Very low21.6Very low141 Ų141144.7 Ų144.774%0.73879%0.793SS**PPolyproline II helixtrans-71.1131.4179.2-74.9145.1000110.1M677M677-L679 HydrophobicContact CE-CD1 4.44Å; M677-L679 HydrophobicContact CE-CD2 4.03Å; M677-L679 HydrophobicContact CE-CG 4.17Å
680S18.9Very low21.5Very low109 Ų109143.5 Ų143.576%0.76279%0.786SS**PPolyproline II helixtrans-100116.3164.847.80000109.5S682S680-S682 PolarHBondContact O-N 2.63Å
681D20.1Very low21.3Very low167 Ų167143 Ų14389%0.89378%0.782SS**PPolyproline II helixtrans-65.9119.2171.4-74.9-44.8000111
682S23.3Very low21.2Very low106 Ų106146.8 Ų146.874%0.74179%0.787SS**  trans-157.8123.3150.648.10000110S680 S684S680-S682 PolarHBondContact O-N 2.63Å; S682-S684 PolarHBondContact O-N 2.93Å
683S21.2Very low21.1Very low125 Ų125148.7 Ų148.787%0.87479%0.789SS**  trans-70.1123.4-176.550.80000111.9
684S26Very low21Very low106 Ų106145.4 Ų145.474%0.74179%0.786SS**  trans-135.9114160.955.10000110.2S682 N686S682-S684 PolarHBondContact O-N 2.93Å; S684-N686 PolarHBondContact O-N 3.38Å
685D22.4Very low20.9Very low167 Ų167144.3 Ų144.389%0.89379%0.788SS**  trans-72.897.1177-76.4-50.9000110.3
686N23.6Very low21.1Very low145 Ų145142.6 Ų142.678%0.77578%0.783SS**  trans-137.8100.8161.6-95.1-42.4000108.7S684 Q688S684-N686 PolarHBondContact O-N 3.38Å; N686-Q688 PolarHBondContact O-N 2.84Å
687S22.1Very low21.1Very low113 Ų113145.9 Ų145.979%0.7979%0.791SS**  trans-74.868.6-175.243.50000112.9F689S687-F689 PolarHBondContact O-N 3.07Å
688Q21.4Very low21.1Very low159 Ų159146.7 Ų146.774%0.74380%0.795SS**  trans-71.3106166.4-71.1-171.7-6.600110.2N686 I690N686-Q688 PolarHBondContact O-N 2.84Å; Q688-I690 PolarHBondContact O-N 2.89Å
689F20.3Very low21.1Very low199 Ų199144.8 Ų144.887%0.87380%0.795SS**  trans-68.691.1167.7-88.4-94.8000110.3S687 L691S687-F689 PolarHBondContact O-N 3.07Å; F689-L691 PolarHBondContact O-N 2.81Å
690I20.2Very low21.1Very low124 Ų124145.7 Ų145.764%0.63680%0.801SS**  trans-77.7102.8173.1-60.3175.5000109Q688 N692Q688-I690 PolarHBondContact O-N 2.89Å; I690-N692 PolarHBondContact O-N 2.75Å; I690-N692 VanDerWaalsContact O-N 3.1Å
691L19.2Very low21.2Very low144 Ų144148 Ų14875%0.75480%0.8SS**  trans-76.590.2168.6-77.2165.8000109.9F689 F693F689-L691 PolarHBondContact O-N 2.81Å; L691-F693 HydrophobicContact CB-CE2 4.39Å; L691-F693 PolarHBondContact O-N 2.81Å
692N18.6Very low21.3Very low145 Ų145147.1 Ų147.178%0.77580%0.795SS**  trans-69.7106.6172.5-83.7-30.5000111I690I690-N692 PolarHBondContact O-N 2.75Å; I690-N692 VanDerWaalsContact O-N 3.1Å
693F19.9Very low21.3Very low177 Ų177148 Ų14878%0.77680%0.801SS**  trans-82132.9162.5-70.6-83.2000110.1L691L691-F693 HydrophobicContact CB-CE2 4.39Å; L691-F693 PolarHBondContact O-N 2.81Å
694P20.5Very low21.4Very low111 Ų111149.2 Ų149.272%0.72180%0.798SS**  trans-69.6132.3-173.326.3-33.7000112.8T696P694-T696 PolarHBondContact O-N 2.86Å
695K19.6Very low21.3Very low210 Ų210150.3 Ų150.391%0.91380%0.795SS**  trans-82.286171.9-76.9-178.3175176.10111.8
696T22Very low21.3Very low123 Ų123151.7 Ų151.776%0.75579%0.789SS**  trans-155.2138.8159.635.20000107.8P694P694-T696 PolarHBondContact O-N 2.86Å
697M21.8Very low21.3Very low180 Ų180152.7 Ų152.789%0.88779%0.794SS**  cis-127.5161.48-63.4-178.969.300112.1
698M19.1Very low21.5Very low178 Ų178155.8 Ų155.888%0.87780%0.801SS**  trans-69.9155166.1-65.4-175.1178.700111.7
699S20.9Very low21.5Very low112 Ų112152.8 Ų152.878%0.78380%0.797SS**  trans40.3101.3138178.60000118.1
700N22.3Very low21.7Very low160 Ų160150.7 Ų150.786%0.85680%0.795SS**  -145.1151.6125.4-148-4.2000112.2
701Q21.6Very low21.8Very low157 Ų157152.3 Ų152.373%0.73480%0.804SS**  trans-84159.1-179.7-64.1176.4-19.600111.4
702N21Very low21.8Very low149 Ų149153.2 Ų153.280%0.79781%0.81SS**  trans48.499154.7-63-11.5000118.7
703S24.2Very low21.9Very low124 Ų124153.7 Ų153.787%0.86781%0.812SS**  -174.2160.812034.20000111.6
704N22.6Very low21.8Very low150 Ų150152.3 Ų152.380%0.80281%0.812SS**  trans-78.1148.9-166.7-66.4-47.2000114.4
705N23.6Very low21.8Very low130 Ų130154.8 Ų154.870%0.69582%0.818SS**  trans72.7135.4145.5-71.7-14.7000121
706Y23.9Very low21.7Very low195 Ų195147.9 Ų147.977%0.76581%0.806SS**  trans59.598.2164.5-57.5-67.3000118.6
707L23.3Very low21.6Very low167 Ų167146.6 Ų146.687%0.87481%0.807SS**SBendtrans-168.772.8134.4-106.5171.3000111.2
708L24.9Very low21.5Very low178 Ų178145.6 Ų145.693%0.93280%0.801SS**  trans-163.631.1162-110.3159.5000113.5
709S22.8Very low21.6Very low95 Ų95148 Ų14866%0.66480%0.802SS**  trans-109.863.8172.459.10000110.3
710N23.4Very low21.6Very low155 Ų155148 Ų14883%0.82979%0.793SS**  trans-148.266.5177-102.4-19.8000111.1
711L23Very low21.6Very low158 Ų158148.1 Ų148.183%0.82779%0.793SS**  trans-154.872.6162.4-113.1158.5000109.5L713L711-L713 PolarHBondContact O-N 3.5Å
712N18.7Very low21.4Very low163 Ų163145.9 Ų145.987%0.87279%0.79SS**  trans-69.3107.6168.5-95.7-20.4000109.3
713L20.8Very low21.5Very low156 Ų156146.5 Ų146.582%0.81779%0.792SS**  trans-105.196.1158.8-83.6169.4000108.5L711L711-L713 PolarHBondContact O-N 3.5Å
714N18.3Very low21.2Very low147 Ų147145.7 Ų145.779%0.78678%0.782SS**  trans-91.6104.1-174.1-166.612.4000109.7
715I20.7Very low21.4Very low164 Ų164145.4 Ų145.484%0.84178%0.78SS**  trans-129.681.2166.3-55.8-178.7000107.9
716G17Very low21.3Very low64 Ų64146.1 Ų146.166%0.6678%0.784SS**  trans-84.9120.9166.200000110.5
717A20.7Very low21.1Very low96 Ų96146.5 Ų146.579%0.79379%0.786SS**  trans-103.384.7159.400000108Y719A717-Y719 PolarHBondContact O-N 2.82Å
718Q19.1Very low21.3Very low160 Ų160146.4 Ų146.475%0.74879%0.786SS**  trans-70.6117.9172.5-73.5-179-16.700109.6
719Y21Very low21Very low227 Ų227143.6 Ų143.689%0.8978%0.777SS**  trans-103.491.6152.3-98-84.3000108.4A717A717-Y719 PolarHBondContact O-N 2.82Å
720N20.4Very low21.3Very low112 Ų112146.1 Ų146.160%0.59978%0.783SS**  trans-73.5121.6165.6-76.3-30.1000108.6
721N22.5Very low21.3Very low163 Ų163142.8 Ų142.887%0.87277%0.771SS**  trans-111.795.4153.5-96-16.6000107.9
722V18.5Very low21.3Very low110 Ų110141.7 Ų141.767%0.66777%0.767SS**  trans-94.9114.3169174.10000107.5T724V722-T724 HydrophobicContact CG1-CG2 4.43Å
723I23.4Very low21.5Very low162 Ų162141.4 Ų141.483%0.83176%0.76SS**  trans-131.4110.2154.4-61.1-176.5000107.8
724T17.8Very low21.5Very low108 Ų108143.8 Ų143.866%0.66376%0.759SS**  trans-84.9141.3168.745.80000110.7V722V722-T724 HydrophobicContact CG1-CG2 4.43Å
725N25.5Very low21.7Very low143 Ų143147.7 Ų147.777%0.76576%0.763SS**  trans-169.5106.9144.6-91.1-29.9000107.4
726N21.6Very low21.7Very low146 Ų146147.3 Ų147.378%0.78176%0.763SS**  86.113477.8-102.5-12.1000114.7
727Y20.4Very low22.1Very low203 Ų203150.2 Ų150.280%0.79677%0.77SS**  trans-49.5150-173-67.4-100.4000116.6
728N26.8Very low22.2Very low165 Ų165150.9 Ų150.988%0.88277%0.769SS**  -156.3140.2120.4-99.9-18.3000112
729T19.6Very low22.6Very low119 Ų119154.7 Ų154.773%0.7378%0.776SS**  trans-116.3117.8174.845.40000109.5
730D28.5Very low22.6Very low148 Ų148151 Ų15179%0.79177%0.772SS**  trans-153.8120160-90.5-46.2000106.4
731S22.5Very low22.8Very low84 Ų84153.3 Ų153.359%0.58778%0.783SS**  cis87.712349.290.80000113.1
732N24.4Very low22.6Very low136 Ų136149.9 Ų149.973%0.72777%0.772SS**  trans71.2152.1170.1-52.6-51.3000117.5
733Q21.2Very low22.8Very low157 Ų157151.8 Ų151.873%0.73478%0.778SS**  cis174.1148.7-23.9-108.2-174.64.600105.4
734Y21.8Very low22.6Very low205 Ų205149 Ų14980%0.80477%0.773SS**  trans55.9109.9149.2-94.1-85.8000122.5
735R23.1Very low22.7Very low230 Ų230148 Ų14887%0.86878%0.775SS**  162.1136.4101.2-96.3-171.9178.6177.80.3114.6
736D19.1Very low22.4Very low155 Ų155146.5 Ų146.583%0.82978%0.776SS**  trans-65.8154155.7-85.9-55.5000112.4
737P25.9Very low22.3Very low126 Ų126145.2 Ų145.282%0.81877%0.774SS**  -138.3135.2125.535.7-23.3000114.4
738S23Very low22.5Very low109 Ų109141.7 Ų141.776%0.76277%0.774SS**  trans-98.8141.9172.749.50000112.9
739R26.6Very low22.8Very low241 Ų241139 Ų13991%0.90977%0.765SS**  trans-176.4124.6162-98.2161.7-165.7-154.33.9107.1
740N21.6Very low22.7Very low149 Ų149138.1 Ų138.180%0.79776%0.764SS**  cis86.2141.749.3-82.6-4.5000116.2
741L24.6Very low22.3Very low160 Ų160135.8 Ų135.884%0.83876%0.759SS**  trans83129.9-178.9-75.961.1000116.1
742S19Very low22.1Very low91 Ų91137.6 Ų137.664%0.63677%0.767SS**  cis109.9154.13.680.30000117.1
743L21.9Very low21.9Very low151 Ų151138.1 Ų138.179%0.79177%0.769SS**  trans83.7120.2174.1-85.276.5000115.9
744S20Very low21.9Very low104 Ų104139.3 Ų139.373%0.72777%0.768SS**  90.1149.658.578.30000112.6
745A19.5Very low21.9Very low86 Ų86138 Ų13871%0.71176%0.762SS**  cis-175.9-174.4-12.900000108.6
746S20.4Very low22Very low112 Ų112133.7 Ų133.778%0.78375%0.752SS**  trans75.2164.9167.176.90000118.9
747T18.3Very low22.2Very low118 Ų118133.2 Ų133.272%0.72475%0.745SS**  175.3143.6-68.234.20000110.1
748T24.9Very low22Very low130 Ų130134.4 Ų134.480%0.79874%0.739SS**  trans67.4163.2155.748.30000120.4
749P32.9Very low22Very low109 Ų109137.4 Ų137.471%0.70874%0.74SS**  cis-143.2172.5-2234.3-12.5000118.7
750S18Very low21.7Very low100 Ų100136.7 Ų136.770%0.69974%0.738SS**  trans67.4127.9136.562.50000127.6
751S18.7Very low21.9Very low99 Ų99138.4 Ų138.469%0.69274%0.741SS**  94115123.267.40000126.6
752T19.9Very low21.9Very low122 Ų122139.4 Ų139.475%0.74874%0.741SS**  81.5122.9127.951.80000126.8
753L19.8Very low22Very low147 Ų147143.3 Ų143.377%0.7775%0.748SS**  103.7136.2120.6-85.9176.8000126.7
754Y21.6Very low22.1Very low181 Ų181145.5 Ų145.571%0.7176%0.755SS**  trans92.7100.6146.6-91.5-86.1000126.6
755Y21.8Very low22.1Very low177 Ų177148.9 Ų148.969%0.69476%0.756SS**  74.2148.4122.4-90.7-112000130.2
756H23.7Very low22.1Very low140 Ų140151.2 Ų151.265%0.64877%0.766SS**  trans104.7115.7143.2-82.4-52.4000124.5
757H23.5Very low22Very low145 Ų145151.9 Ų151.967%0.67176%0.761SS**  55.7156125.6-71.5-4.5000123.3
758H22.8Very low22.2Very low151 Ų151157.8 Ų157.870%0.69977%0.771SS**  cis-157.4-161.4-1.8-135.4-18.2000115.2
759H23.2Very low22Very low172 Ų172156.4 Ų156.480%0.79677%0.767SS**  trans72.9176.2168.7-74.9-86.1000119.9
760R19.7Very low21.6Very low226 Ų226157.3 Ų157.385%0.85377%0.773SS**  161.1124.5-100.8-173.2-178.5-164176.45.5113.4
761H26.1Very low21.7Very low185 Ų185160.8 Ų160.886%0.85678%0.783SS**  trans-141.6171.2165.1-99.7-87.9000112
762H24.1Very low21.7Very low182 Ų182160 Ų16084%0.84378%0.782SS**PPolyproline II helixtrans-87.2140.9-151.1-82.9-110.3000118.2
763H21.8Very low21.7Very low172 Ų172165 Ų16580%0.79679%0.789SS**PPolyproline II helixtrans-91.1134.5153.3-73.2-87.1000110.5
764Q23.6Very low21.6Very low198 Ų198162.5 Ų162.593%0.92578%0.784SS**PPolyproline II helixtrans-93.1122.8156.5-100.3176.6-23.300109
765K20Very low21.4Very low174 Ų174158.7 Ų158.776%0.75778%0.784SS**PPolyproline II helixtrans-97.3116.2176.4-69.9-178.8175.4-176.20109.7N767K765-N767 PolarHBondContact O-N 3.22Å
766C18.8Very low21.4Very low136 Ų136157.5 Ų157.592%0.91979%0.789SS**  trans-83.796.7156.6-71.20000108.3
767N19.3Very low21.3Very low125 Ų125158.5 Ų158.567%0.66880%0.8SS**  trans-81.5125.2164.5-73.1-17.1000108.3K765K765-N767 PolarHBondContact O-N 3.22Å
768Y21.5Very low21.3Very low242 Ų242159.3 Ų159.395%0.94981%0.807SS**  trans-142.2139.9146.3-101.5-76.5000110.8
769S20.7Very low21.1Very low101 Ų101158.8 Ų158.871%0.70681%0.814SS**  trans-91157-166.2-56.80000112.5L771S769-L771 PolarHBondContact O-N 3.13Å
770P24.2Very low21.1Very low128 Ų128154.7 Ų154.783%0.83181%0.81SS**  trans-77.8122.9178.831.3-33.4000111.3
771L21.3Very low21.1Very low173 Ų173150.5 Ų150.591%0.90681%0.814SS**  trans-141.2140.8169.4-101.6166.1000111.1S769S769-L771 PolarHBondContact O-N 3.13Å
772A18.3Very low20.7Very low82 Ų82152.9 Ų152.968%0.67882%0.817SS**  trans-79174.6-16300000116.1
773Y19.3Very low20.5Very low227 Ų227149.5 Ų149.589%0.8981%0.814SS**  trans94.4120.8158.2-80.1-81.5000121.1
774S18.2Very low20.4Very low96 Ų96146.8 Ų146.867%0.67182%0.815SS**  trans79.3106.2130.1-169.80000120.8
775S18.1Very low20.4Very low101 Ų101143.1 Ų143.171%0.70681%0.811SS**  56.1116.6128.9-48.50000120.8
776N20.5Very low20.4Very low151 Ų151143.4 Ų143.481%0.80782%0.82SS**  trans42.8100.7140.9-60.37.2000118.9
777D22.4Very low20.4Very low161 Ų161142.6 Ų142.686%0.86181%0.81SS**  175.6145.9126.4-83.5-23.6000105.2
778I23.1Very low20.5Very low162 Ų162143.4 Ų143.483%0.83182%0.815SS**  cis-143.4133.637.4-68.6167.5000110
779V19.5Very low20.5Very low140 Ų140142.4 Ų142.485%0.84882%0.815SS**  trans-85.7132.2163170.70000109.5
780A21.7Very low20.6Very low86 Ų86142.8 Ų142.871%0.71182%0.818SS**  trans147.9110.9139.700000113.1
781C20.3Very low20.6Very low139 Ų139142 Ų14294%0.93981%0.813SS**  trans-172.562.1142.5-111.80000112.4
782Y18.4Very low20.6Very low235 Ų235141.5 Ų141.592%0.92281%0.811SS**  trans-99.9127.2160-96.4-83.1000109.2
783S18.8Very low21Very low111 Ų111143.3 Ų143.378%0.77682%0.819SS**  157.3146.612754.40000114.8
784S21.1Very low21.2Very low115 Ų115142.7 Ų142.780%0.80482%0.821SS**  trans72.498.9160.270.70000120.5
785S23Very low21.6Very low121 Ų121146.9 Ų146.985%0.84683%0.83SS**  trans-166.962.3134.454.50000112
786L18.9Very low21.9Very low180 Ų180147.7 Ų147.794%0.94284%0.836SS**  trans-100.890.6169.4-106.1165.9000108.9
787V20.5Very low22.2Very low118 Ų118145.2 Ų145.272%0.71583%0.828SS**  trans-144.1125.4-179.3177.30000112
788N21.2Very low22.7Very low143 Ų143148.3 Ų148.377%0.76583%0.828SS**  trans65.3103.1160-62.5-12.6000120.8
789F21.1Very low23.2Very low220 Ų220149.5 Ų149.597%0.96583%0.826SS**  trans-119.3123.3135.1-96.4-87.3000109.4
790S21.7Very low23.8Very low109 Ų109150.1 Ų150.176%0.76282%0.824SS**  trans-101.4142.3-174.5-173.20000111.3
791P25.5Very low24.4Very low112 Ų112149.3 Ų149.373%0.72781%0.813SS**SBendtrans-88.8110.2-173.433-32.1000112.2
792N21Very low25.1Very low163 Ų163147.2 Ų147.287%0.87280%0.796SS**  trans-165.618.4158.9-105.7-19.7000117.5F794N792-F794 PolarHBondContact O-N 3.41Å
793S26.7Very low25.9Very low119 Ų119140.1 Ų140.183%0.83278%0.778SS**  trans-97.669.717561.20000112.4E795S793-E795 PolarHBondContact O-N 3.04Å
794F24.6Very low26.6Very low215 Ų215138.3 Ų138.394%0.94377%0.765SS**  trans-78.986.8168.6-107.7-86.2000110N792N792-F794 PolarHBondContact O-N 3.41Å
795E25.9Very low27.1Very low184 Ų184140 Ų14086%0.8676%0.758SS**  trans-110.8128.9165.1-153.6173.7-143.200109.4S793 P797S793-E795 PolarHBondContact O-N 3.04Å; E795-P797 WeakPolarHBondContact O-CD 3.41Å
796S23.2Very low27.5Very low117 Ų117137.7 Ų137.782%0.81874%0.74SS**  trans-108.3116.6-167.9650000112.4
797P28.5Very low28.4Very low99 Ų99133.7 Ų133.764%0.64372%0.719SS**  trans-111.9133.2171.91.221.6000114.1E795 K799E795-P797 WeakPolarHBondContact O-CD 3.41Å; P797-K799 PolarHBondContact O-N 2.84Å
798R33.1Very low28.9Very low227 Ų227135.5 Ų135.586%0.85772%0.717SS**SBendtrans71.1-8.3142.7-58.7-179.4-177.9-174.51.4121.1L800 S801R798-L800 PolarHBondContact O-N 3.13Å; R798-S801 PolarHBondContact O-OG 2.78Å
799K32.7Very low29.5Very low186 Ų186134.7 Ų134.781%0.80971%0.709SS**THydrogen-bonded Turntrans-70.3-19.4176.4-82-174.9178175.40115.8P797 S801P797-K799 PolarHBondContact O-N 2.84Å; K799-S801 PolarHBondContact O-N 2.87Å
800L32.2Very low30.2Very low154 Ų154128.6 Ų128.681%0.80669%0.685SS**Hα-helixtrans-72.7-26.2-177.4-13079000114.6R798 T802R798-L800 PolarHBondContact O-N 3.13Å; L800-T802 VanDerWaalsContact C-N 3.32Å; L800-T802 PolarHBondContact O-N 2.84Å
801S33.2Very low30.6Very low68 Ų68128 Ų12848%0.47667%0.673SS.*Hα-helixtrans-68.1-30.7-175.673.20000113.3R798 K799 K805R798-S801 PolarHBondContact O-OG 2.78Å; K799-S801 PolarHBondContact O-N 2.87Å; S801-K805 PolarHBondContact O-N 2.87Å
802T36.2Very low30.9Very low95 Ų95129 Ų12958%0.58367%0.668SS**Hα-helixtrans-73-38.3-176.9-33.90000111.9L800 K805 C806L800-T802 VanDerWaalsContact C-N 3.32Å; L800-T802 PolarHBondContact O-N 2.84Å; T802-K805 PolarHBondContact O-N 3.49Å; T802-C806 PolarHBondContact O-N 2.91Å; T802-C806 VanDerWaalsContact O-N 3.08Å
803V35.3Very low31.5Very low87 Ų87126.8 Ų126.853%0.52766%0.656SS.*Hα-helixtrans-66.4-43.5178.2-177.70000110.6K805 C806 I807V803-K805 PolarHBondContact O-N 2.77Å; V803-C806 PolarHBondContact O-N 3.18Å; V803-C806 VanDerWaalsContact O-N 3.17Å; V803-I807 HydrophobicContact CG1-CD1 3.97Å; V803-I807 WeakPolarHBondContact O-CG1 3.46Å; V803-I807 PolarHBondContact O-N 2.81Å
804S33.3Very low31.7Very low73 Ų73125 Ų12551%0.5164%0.636SS.*Hα-helixtrans-60.1-41.9176.3-177.10000112.7I807 K808S804-I807 PolarHBondContact O-N 2.89Å; S804-K808 PolarHBondContact O-N 3.02Å
805K31.9Very low31.8Very low151 Ų151118.2 Ų118.266%0.65762%0.615SS**Hα-helixtrans-63.4-40.2174.5-74179.9178.5-179.60112.4S801 T802 V803 K808 H809S801-K805 PolarHBondContact O-N 2.87Å; T802-K805 PolarHBondContact O-N 3.49Å; V803-K805 PolarHBondContact O-N 2.77Å; K805-K808 PolarHBondContact O-N 3.17Å; K805-H809 PolarHBondContact O-N 3.3Å
806C31.6Very low32.1Very low71 Ų71112.7 Ų112.748%0.4860%0.597SS.*Hα-helixtrans-65.7-44.4178.6-155.90000112T802 V803 K808 H809 I810T802-C806 PolarHBondContact O-N 2.91Å; T802-C806 VanDerWaalsContact O-N 3.08Å; V803-C806 PolarHBondContact O-N 3.18Å; V803-C806 VanDerWaalsContact O-N 3.17Å; C806-K808 VanDerWaalsContact C-N 3.34Å; C806-K808 PolarHBondContact O-N 3.16Å; C806-H809 PolarHBondContact O-N 2.65Å; C806-H809 VanDerWaalsContact O-N 3.14Å; C806-I810 WeakPolarHBondContact O-CG1 3.49Å; C806-I810 PolarHBondContact O-N 3.38Å
807I36.8Very low32.6Very low96 Ų96109.6 Ų109.649%0.49258%0.576SS.*Hα-helixtrans-61.7-40.6175.8-65.9168.1000111.1V803 S804 I810 N811V803-I807 HydrophobicContact CG1-CD1 3.97Å; V803-I807 WeakPolarHBondContact O-CG1 3.46Å; V803-I807 PolarHBondContact O-N 2.81Å; S804-I807 PolarHBondContact O-N 2.89Å; I807-I810 PolarHBondContact O-N 3.32Å; I807-N811 WeakPolarHBondContact O-CB 3.5Å; I807-N811 PolarHBondContact O-N 3.02Å
808K30.6Very low32.6Very low156 Ų156109.5 Ų109.568%0.67857%0.569SS**Hα-helixtrans-59.8-45.6172.3-96.2-171.7172.9-176.20112.1S804 K805 C806 N811 Q812S804-K808 PolarHBondContact O-N 3.02Å; K805-K808 PolarHBondContact O-N 3.17Å; C806-K808 VanDerWaalsContact C-N 3.34Å; C806-K808 PolarHBondContact O-N 3.16Å; K808-N811 PolarHBondContact O-N 3.08Å; K808-Q812 WeakPolarHBondContact O-CB 3.33Å; K808-Q812 PolarHBondContact O-N 3.38Å
809H35Very low32.4Very low127 Ų127103.1 Ų103.159%0.58856%0.555SS**Hα-helixtrans-62.9-42.8179.3-118.1-73.5000112.6K805 C806 Q812 L813K805-H809 PolarHBondContact O-N 3.3Å; C806-H809 PolarHBondContact O-N 2.65Å; C806-H809 VanDerWaalsContact O-N 3.14Å; H809-Q812 PolarHBondContact O-N 3.31Å; H809-L813 WeakPolarHBondContact O-CB 3.41Å; H809-L813 PolarHBondContact O-N 3.03Å
810I35.8Very low32.2Very low92 Ų92100.4 Ų100.447%0.47255%0.549SS..Hα-helixtrans-63.6-46.5176.9-68167.7000110.6C806 I807 Q812 L813 I814C806-I810 WeakPolarHBondContact O-CG1 3.49Å; C806-I810 PolarHBondContact O-N 3.38Å; I807-I810 PolarHBondContact O-N 3.32Å; I810-Q812 VanDerWaalsContact C-N 3.28Å; I810-Q812 PolarHBondContact O-N 3.33Å; I810-L813 PolarHBondContact O-N 3.37Å; I810-I814 HydrophobicContact CG2-CD1 3.69Å; I810-I814 HydrophobicContact CG2-CG1 4.39Å; I810-I814 WeakPolarHBondContact O-CB 3.42Å; I810-I814 VanDerWaalsContact O-CG1 3.32Å; I810-I814 WeakPolarHBondContact O-CG1 3.48Å; I810-I814 PolarHBondContact O-N 3.32Å
811N30.2Very low32Very low95 Ų9597.3 Ų97.351%0.50853%0.532SS..Hα-helixtrans-62.1-35.4176.2-81.9-7.3000112.5I807 K808 S815I807-N811 WeakPolarHBondContact O-CB 3.5Å; I807-N811 PolarHBondContact O-N 3.02Å; K808-N811 PolarHBondContact O-N 3.08Å; N811-S815 WeakPolarHBondContact O-CB 3.38Å; N811-S815 PolarHBondContact O-N 3.49Å; N811-S815 PolarHBondContact O-OG 2.96Å
812Q31.3Very low31.5Very low133 Ų13398.9 Ų98.962%0.62154%0.536SS*.Hα-helixtrans-67.8-41176.9-151.3166.55.900111.3K808 H809 I810 S815 S816K808-Q812 WeakPolarHBondContact O-CB 3.33Å; K808-Q812 PolarHBondContact O-N 3.38Å; H809-Q812 PolarHBondContact O-N 3.31Å; I810-Q812 VanDerWaalsContact C-N 3.28Å; I810-Q812 PolarHBondContact O-N 3.33Å; Q812-S815 WeakPolarHBondContact O-CB 3.43Å; Q812-S815 PolarHBondContact O-N 3.23Å; Q812-S816 PolarHBondContact O-N 3.37Å; Q812-S816 PolarHBondContact O-OG 3.34Å; Q812-S816 VanDerWaalsContact O-OG 3.12Å
813L32.8Very low30.9Very low117 Ų117104 Ų10461%0.61355%0.546SS*.Hα-helixtrans-66.9-39.4176.7-129.2137.8000112.8H809 I810 S816 S817H809-L813 WeakPolarHBondContact O-CB 3.41Å; H809-L813 PolarHBondContact O-N 3.03Å; I810-L813 PolarHBondContact O-N 3.37Å; L813-S816 WeakPolarHBondContact CA-OG 3.46Å; L813-S816 PolarHBondContact O-OG 3.01Å; L813-S817 PolarHBondContact O-N 3.1Å; L813-S817 VanDerWaalsContact O-N 3.14Å; L813-S817 PolarHBondContact O-OG 3.25Å
814I31.3Very low30.5Very low83 Ų83104.1 Ų104.143%0.42655%0.55SS.*Hα-helixtrans-65.9-41172.7-69.2170.5000110.5I810 S817 L818I810-I814 HydrophobicContact CG2-CD1 3.69Å; I810-I814 HydrophobicContact CG2-CG1 4.39Å; I810-I814 WeakPolarHBondContact O-CB 3.42Å; I810-I814 VanDerWaalsContact O-CG1 3.32Å; I810-I814 WeakPolarHBondContact O-CG1 3.48Å; I810-I814 PolarHBondContact O-N 3.32Å; I814-S817 WeakPolarHBondContact CA-OG 3.35Å; I814-S817 PolarHBondContact O-N 3.02Å; I814-S817 PolarHBondContact O-OG 3.28Å; I814-S817 VanDerWaalsContact O-OG 3.06Å; I814-L818 HydrophobicContact CG2-CD1 3.83Å; I814-L818 WeakPolarHBondContact O-CB 3.48Å; I814-L818 PolarHBondContact O-N 3.21Å
815S28Very low30.2Very low71 Ų71107.9 Ų107.950%0.49756%0.557SS.*Hα-helixtrans-63.2-45.6177.4-58.90000111.9N811 Q812 S817 L818 T819N811-S815 WeakPolarHBondContact O-CB 3.38Å; N811-S815 PolarHBondContact O-N 3.49Å; N811-S815 PolarHBondContact O-OG 2.96Å; Q812-S815 WeakPolarHBondContact O-CB 3.43Å; Q812-S815 PolarHBondContact O-N 3.23Å; S815-S817 VanDerWaalsContact C-N 3.34Å; S815-S817 PolarHBondContact O-N 2.79Å; S815-L818 PolarHBondContact O-N 2.76Å; S815-T819 PolarHBondContact O-N 3.21Å; S815-T819 VanDerWaalsContact O-N 3.08Å; S815-T819 PolarHBondContact O-OG1 3.48Å
816S31.9Very low29.8Very low68 Ų68107.3 Ų107.348%0.47656%0.562SS.*Hα-helixtrans-66.1-32.7178.448.80000113.6Q812 L813 T819 L820Q812-S816 PolarHBondContact O-N 3.37Å; Q812-S816 PolarHBondContact O-OG 3.34Å; Q812-S816 VanDerWaalsContact O-OG 3.12Å; L813-S816 WeakPolarHBondContact CA-OG 3.46Å; L813-S816 PolarHBondContact O-OG 3.01Å; S816-T819 WeakPolarHBondContact CA-OG1 3.39Å; S816-T819 PolarHBondContact O-OG1 2.9Å; S816-L820 PolarHBondContact O-N 3.18Å
817S33.5Very low29.4Very low53 Ų53111.1 Ų111.137%0.37158%0.577SS.*Hα-helixtrans-77-33.6176.444.20000112.4L813 I814 S815 L820 I821L813-S817 PolarHBondContact O-N 3.1Å; L813-S817 VanDerWaalsContact O-N 3.14Å; L813-S817 PolarHBondContact O-OG 3.25Å; I814-S817 WeakPolarHBondContact CA-OG 3.35Å; I814-S817 PolarHBondContact O-N 3.02Å; I814-S817 PolarHBondContact O-OG 3.28Å; I814-S817 VanDerWaalsContact O-OG 3.06Å; S815-S817 VanDerWaalsContact C-N 3.34Å; S815-S817 PolarHBondContact O-N 2.79Å; S817-L820 PolarHBondContact O-N 2.94Å; S817-I821 WeakPolarHBondContact O-CG1 3.39Å; S817-I821 PolarHBondContact O-N 3.31Å
818L28.8Very low28.7Very low97 Ų97114.4 Ų114.451%0.50859%0.59SS.*Hα-helixtrans-65.1-38.4170.6-93.7149000113.1I814 S815 L820 I821 N822I814-L818 HydrophobicContact CG2-CD1 3.83Å; I814-L818 WeakPolarHBondContact O-CB 3.48Å; I814-L818 PolarHBondContact O-N 3.21Å; S815-L818 PolarHBondContact O-N 2.76Å; L818-L820 VanDerWaalsContact C-N 3.31Å; L818-L820 PolarHBondContact O-N 3.46Å; L818-I821 PolarHBondContact O-N 2.83Å; L818-N822 PolarHBondContact O-N 3.31Å
819T28.2Very low28.4Very low92 Ų92112.9 Ų112.956%0.56459%0.594SS**Hα-helixtrans-63.5-36.3172.641.20000112.6S815 S816 Y823S815-T819 PolarHBondContact O-N 3.21Å; S815-T819 VanDerWaalsContact O-N 3.08Å; S815-T819 PolarHBondContact O-OG1 3.48Å; S816-T819 WeakPolarHBondContact CA-OG1 3.39Å; S816-T819 PolarHBondContact O-OG1 2.9Å; T819-Y823 PolarHBondContact O-N 3.41Å; T819-Y823 VanDerWaalsContact O-N 3.08Å
820L27.6Very low27.9Very low130 Ų130116.6 Ų116.668%0.68161%0.611SS**Hα-helixtrans-71.6-37.8177.2-146.878.6000112.2S816 S817 L818 Y823 S824S816-L820 PolarHBondContact O-N 3.18Å; S817-L820 PolarHBondContact O-N 2.94Å; L818-L820 VanDerWaalsContact C-N 3.31Å; L818-L820 PolarHBondContact O-N 3.46Å; L820-Y823 PolarHBondContact O-N 2.67Å; L820-S824 WeakPolarHBondContact O-CB 3.28Å; L820-S824 PolarHBondContact O-N 3.46Å
821I27.8Very low27.2Very low89 Ų89118.4 Ų118.446%0.45662%0.622SS.*Hα-helixtrans-67.7-35.6176.5-69.3166000111.5S817 L818 S824 K825S817-I821 WeakPolarHBondContact O-CG1 3.39Å; S817-I821 PolarHBondContact O-N 3.31Å; L818-I821 PolarHBondContact O-N 2.83Å; I821-S824 PolarHBondContact O-N 3.07Å; I821-K825 HydrophobicContact CG2-CD 4.23Å; I821-K825 HydrophobicContact CG2-CG 4.47Å; I821-K825 WeakPolarHBondContact O-CB 3.47Å; I821-K825 WeakPolarHBondContact O-CG 3.33Å; I821-K825 PolarHBondContact O-N 3.43Å
822N24.5Very low26.8Very low101 Ų101118.7 Ų118.754%0.5463%0.631SS.*Hα-helixtrans-71.9-31.8172.7-80.4-7.8000112.9L818 S824L818-N822 PolarHBondContact O-N 3.31Å; N822-S824 VanDerWaalsContact C-N 3.34Å
823Y23.5Very low26.4Very low202 Ų202122.3 Ų122.379%0.79264%0.644SS**Hα-helixtrans-67.3-34.1170.6-116.1-87.7000112.7T819 L820T819-Y823 PolarHBondContact O-N 3.41Å; T819-Y823 VanDerWaalsContact O-N 3.08Å; L820-Y823 PolarHBondContact O-N 2.67Å
824S26.4Very low25.9Very low90 Ų90123.2 Ų123.263%0.62966%0.655SS**Hα-helixtrans-80.1-32178.2-172.90000113.6L820 I821 N822 N826L820-S824 WeakPolarHBondContact O-CB 3.28Å; L820-S824 PolarHBondContact O-N 3.46Å; I821-S824 PolarHBondContact O-N 3.07Å; N822-S824 VanDerWaalsContact C-N 3.34Å; S824-N826 PolarHBondContact O-N 3.01Å
825K26.1Very low25.4Very low151 Ų151129 Ų12966%0.65768%0.677SS**Hα-helixtrans-73.2-20.7179.7-84.6-175173.4-178.50115.2I821I821-K825 HydrophobicContact CG2-CD 4.23Å; I821-K825 HydrophobicContact CG2-CG 4.47Å; I821-K825 WeakPolarHBondContact O-CB 3.47Å; I821-K825 WeakPolarHBondContact O-CG 3.33Å; I821-K825 PolarHBondContact O-N 3.43Å
826N24.6Very low24.9Very low140 Ų140131.7 Ų131.775%0.74969%0.685SS**THydrogen-bonded Turntrans-87.84.3-178.4-83.45.6000114.9S824S824-N826 PolarHBondContact O-N 3.01Å
827N22.9Very low24.4Very low151 Ų151137.1 Ų137.181%0.80771%0.708SS**THydrogen-bonded Turntrans-117.540.1170.7-85.9-20.5000113
828H22.7Very low23.7Very low165 Ų165142.3 Ų142.376%0.76473%0.729SS**SBendtrans-110.7139146.3-91.5-74000108.7
829V23.9Very low23.2Very low124 Ų124146.3 Ų146.375%0.75275%0.747SS**  trans7572.8-177.3-160.70000115.1N831V829-N831 HydrophobicContact CG1-CB 4.38Å
830H24Very low23Very low204 Ų204151.7 Ų151.794%0.94477%0.765SS**  -111.784.2125.4-114.2-47.3000108.9
831N20.4Very low22.7Very low131 Ų131150.5 Ų150.570%0.70177%0.768SS**  trans-84.8159.1171.9-131.4-16.9000109.2V829V829-N831 HydrophobicContact CG1-CB 4.38Å
832S22.6Very low22.4Very low100 Ų100155.1 Ų155.170%0.69979%0.785SS**SBendtrans71.7126.316676.30000120.3T834S832-T834 PolarHBondContact O-N 3.2Å
833K22.8Very low22.4Very low209 Ų209159.4 Ų159.491%0.90980%0.795SS**  trans-2.6109.7140.4-60.3172.2178.7174.80116.3
834T22.4Very low22.4Very low137 Ų137156.9 Ų156.984%0.8479%0.793SS**  trans-120.399.4152.719.90000110.3S832 L836S832-T834 PolarHBondContact O-N 3.2Å; T834-L836 VanDerWaalsContact C-N 3.33Å; T834-L836 PolarHBondContact O-N 3.01Å
835K20.3Very low23.4Very low204 Ų204162 Ų16289%0.88782%0.824SS**  trans-89.971.2165.5-171.9-170.8-175.8-1750108.1
836L18.3Very low23.3Very low127 Ų127162.5 Ų162.567%0.66583%0.833SS**  trans-166.6114.6166.5-135.777.8000111.4T834 M838T834-L836 VanDerWaalsContact C-N 3.33Å; T834-L836 PolarHBondContact O-N 3.01Å; L836-M838 HydrophobicContact CD2-CB 4.38Å; L836-M838 HydrophobicContact CD2-CG 3.84Å; L836-M838 HydrophobicContact CD2-SD 3.83Å; L836-M838 HydrophobicContact CG-CG 4.12Å
837L21.4Very low23.2Very low183 Ų183163.7 Ų163.796%0.95884%0.837SS**  trans-114100.7147-91.7167.3000105.6M839L837-M839 PolarHBondContact O-N 3.2Å
838M18.4Very low23.2Very low162 Ų162164.4 Ų164.480%0.79884%0.839SS**  trans-85.693.4171.2-100.6-178.1154.200108.3L836L836-M838 HydrophobicContact CD2-CB 4.38Å; L836-M838 HydrophobicContact CD2-CG 3.84Å; L836-M838 HydrophobicContact CD2-SD 3.83Å; L836-M838 HydrophobicContact CG-CG 4.12Å
839M18.3Very low23.3Very low180 Ų180164.4 Ų164.489%0.88784%0.843SS**  trans-167.487157.4-110.7-178.9-170.800109.8L837L837-M839 PolarHBondContact O-N 3.2Å
840E24.4Very low23.2Very low205 Ų205166.9 Ų166.996%0.95885%0.849SS**  trans-142.8103.6148.5-133171.4-156.600108.9
841S21.6Very low23.2Very low105 Ų105164.4 Ų164.473%0.73484%0.842SS**  trans-130.798.5-173.857.40000109.5
842K22.1Very low23.4Very low187 Ų187166.8 Ų166.881%0.81385%0.853SS**  trans-149.9119.6158.4-87.2-153.6173.3178.10111.4
843Y23.1Very low23.4Very low191 Ų191171.9 Ų171.975%0.74986%0.864SS**  trans40.7119.3145.8-57.3-85.7000118.9
844I24.8Very low23.5Very low148 Ų148168.8 Ų168.876%0.75986%0.861SS**  cis66115.949-51165.5000113.2
845P46.6Very low23.6Very low197 Ų197171.7 Ų171.7100%1.27986%0.862SS**  cis-101.20-3920.1-0.6000112.4

Retrieved 845 of 845 residues in 762 ms (Link to these results)

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