A0A096M7F7_POEFO Loading...

Protein CASC3

AlphaFold DB , UniProt , Accession A0A096M7F7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 577 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
1A40.7Very low43.8Very low153 Ų153124.6 Ų124.6100%1.26488%0.875SS**  0155.5000000108.5
2A39.7Very low43.6Very low111 Ų111129.9 Ų129.992%0.91788%0.875SS**  trans61.4146.9-171.400000115.1
3A43.5Very low44.1Very low94 Ų94124.8 Ų124.878%0.77786%0.859SS**  trans-145.9147.1178.100000109.5
4S42.3Very low43.8Very low114 Ų114121.7 Ų121.780%0.79786%0.857SS**  trans-138.599.8169.9-66.70000106.9
5L45.9Very low44Very low167 Ų167124.2 Ų124.287%0.87486%0.855SS**  8689.190.8-80.5164.5000111.9
6S39.5Very low44.5Very low118 Ų118124 Ų12483%0.82585%0.851SS**  trans-74.9138.8164.9-176.70000110
7A45.9Very low45.1Very low95 Ų95124.4 Ų124.479%0.78585%0.847SS**  trans-92.5126.1176.300000111
8S38.8Very low45.6Very low116 Ų116122.9 Ų122.981%0.81184%0.836SS**  trans-157.3122.1159.6-90.10000109.2
9A48.6Very low45.8Very low101 Ų101122.8 Ų122.884%0.83583%0.833SS**  trans-100.1148.3166.900000109.6
10P47.9Very low45.9Very low125 Ų125125.1 Ų125.181%0.81284%0.836SS**  trans-110.4150148.834.4-27.6000111.1
11L48.5Very low46.1Very low177 Ų177127.2 Ų127.293%0.92784%0.838SS**  trans-79141.7169.8-67152.4000109.3
12E42.2Very low46.8Very low188 Ų188127.9 Ų127.988%0.87982%0.819SS**  trans-140.9142.9165.8-112.4-58.5152.800109.9
13G50Low47.5Very low64 Ų64133.4 Ų133.466%0.6682%0.817SS**  trans-11083.7-15800000114.2L15G13-L15 PolarHBondContact O-N 3.31Å
14G40.4Very low48Very low81 Ų81134.6 Ų134.684%0.83582%0.816SS**  trans-77.9107.1175.800000113.7
15L46.8Very low48.6Very low159 Ų159138.7 Ų138.783%0.83282%0.82SS**  trans-65.5138.9169.3-69.8172.4000111.3G13 V17G13-L15 PolarHBondContact O-N 3.31Å; L15-V17 PolarHBondContact O-N 3.19Å
16P51Low49Very low121 Ų121134.3 Ų134.379%0.78682%0.815SS**  trans-72.6113.5177.828.9-33.5000111.1
17V55.3Low50Low130 Ų130139.6 Ų139.679%0.78882%0.817SS**PPolyproline II helixtrans-66.8124170.6-177.80000108.7L15L15-V17 PolarHBondContact O-N 3.19Å
18P53.4Low50.7Low99 Ų99141.7 Ų141.764%0.64382%0.815SS**PPolyproline II helixtrans-66.6136179.327-33.9000110.1L20P18-L20 PolarHBondContact O-N 3.17Å; P18-L20 VanDerWaalsContact O-N 3.1Å
19P49.9Very low52Low121 Ų121147.5 Ų147.579%0.78682%0.819SS**PPolyproline II helixtrans-64.4117177.926.3-33.3000109.4L21P19-L21 PolarHBondContact O-N 3.21Å; P19-L21 VanDerWaalsContact O-N 3.09Å
20L47.3Very low53.3Low168 Ų168148.3 Ų148.388%0.8880%0.803SS**PPolyproline II helixtrans-55.3119.4174.5-69.5176.4000109P18 L22P18-L20 PolarHBondContact O-N 3.17Å; P18-L20 VanDerWaalsContact O-N 3.1Å; L20-L22 PolarHBondContact O-N 3.15Å
21L51.6Low54.3Low170 Ų170150.8 Ų150.889%0.8981%0.809SS**  trans-57.2103.7179.3-73170000109.5P19 R23P19-L21 PolarHBondContact O-N 3.21Å; P19-L21 VanDerWaalsContact O-N 3.09Å; L21-R23 PolarHBondContact O-N 3.22Å
22L53.9Low55.6Low166 Ų166150.9 Ų150.987%0.86980%0.797SS**  trans-68.378.5175.1-176.767.3000108.7L20 P24L20-L22 PolarHBondContact O-N 3.15Å; L22-P24 VanDerWaalsContact O-CD 3.27Å; L22-P24 WeakPolarHBondContact O-CD 3.27Å
23R55.7Low57.2Low228 Ų228149.4 Ų149.486%0.8679%0.788SS**  trans-50.7111.6-172.9-169.5171.3107.7168.44.3108.8L21 K25L21-R23 PolarHBondContact O-N 3.22Å; R23-K25 PolarHBondContact O-N 3.29Å; R23-K25 VanDerWaalsContact O-N 3.15Å
24P53.7Low58.3Low118 Ų118148.8 Ų148.877%0.76677%0.769SS**  trans-52.4124.4-167-32.336.7000111.6L22 G26L22-P24 VanDerWaalsContact O-CD 3.27Å; L22-P24 WeakPolarHBondContact O-CD 3.27Å; P24-G26 PolarHBondContact O-N 3.34Å
25K53.3Low59.7Low201 Ų201151.7 Ų151.787%0.87476%0.761SS**  trans-56.7104.1-176.7-171.785.6172.3-169.50108.1R23 R27R23-K25 PolarHBondContact O-N 3.29Å; R23-K25 VanDerWaalsContact O-N 3.15Å; K25-R27 PolarHBondContact O-N 3.39Å
26G55.9Low61.4Low74 Ų74147.4 Ų147.476%0.76376%0.755SS**  trans-58.891.4-170.300000112.1P24 N28P24-G26 PolarHBondContact O-N 3.34Å; G26-N28 PolarHBondContact O-N 2.86Å
27R60.4Low63Low230 Ų230149 Ų14987%0.86875%0.746SS**  trans-77.586.3-166.9179.5172.1154.8-178.2-8.4110.6K25K25-R27 PolarHBondContact O-N 3.39Å
28N59.6Low64.8Low139 Ų139154.8 Ų154.874%0.74375%0.753SS**  trans53.466.1161.9-56.5-20.8000114.3G26 K30G26-N28 PolarHBondContact O-N 2.86Å; N28-K30 VanDerWaalsContact C-N 3.26Å; N28-K30 PolarHBondContact O-N 3.08Å
29R66.9Low66.5Low237 Ų237156.4 Ų156.489%0.89475%0.753SS**  trans-60.994.2154.7-74.2179.665.4169.60.1107.7L31R29-L31 PolarHBondContact O-N 3.09Å
30K74.9Confident68.7Low119 Ų119157.9 Ų157.952%0.51775%0.749SS.*  trans-56122.3169.7-70.1-176166-166.20107.8N28 W32 D34N28-K30 VanDerWaalsContact C-N 3.26Å; N28-K30 PolarHBondContact O-N 3.08Å; K30-W32 VanDerWaalsContact C-N 3.26Å; K30-W32 CarbonylContact C-O 3.58Å; K30-W32 VanDerWaalsContact CB-O 3.28Å; K30-W32 WeakPolarHBondContact CB-O 3.27Å; K30-W32 PolarHBondContact O-N 2.87Å; K30-D34 VanDerWaalsContact CD-OD1 3.23Å; K30-D34 WeakPolarHBondContact CD-OD1 3.42Å; K30-D34 IonicContact NZ-OD1 3.73Å; K30-D34 PolarHBondContact NZ-OD1 3.1Å; K30-D34 IonicContact NZ-OD2 3.17Å; K30-D34 PolarHBondContact NZ-OD2 3.3Å
31L70.1Confident70.8Confident177 Ų177155.6 Ų155.693%0.92774%0.737SS**SBendtrans-73.2-24.2-178-129.274.4000112.4R29R29-L31 PolarHBondContact O-N 3.09Å
32W74.9Confident72.8Confident179 Ų179155.3 Ų155.368%0.67873%0.729SS**SBendtrans-95.5138.4166.758.7-62.9000108.6K30K30-W32 VanDerWaalsContact C-N 3.26Å; K30-W32 CarbonylContact C-O 3.58Å; K30-W32 VanDerWaalsContact CB-O 3.28Å; K30-W32 WeakPolarHBondContact CB-O 3.27Å; K30-W32 PolarHBondContact O-N 2.87Å
33K76.9Confident74.8Confident156 Ų156152.8 Ų152.868%0.67871%0.711SS**  trans-75.1144164.3-74.2-157.2-179.4-172.80109.3E35K33-E35 HydrophobicContact CB-CB 3.84Å; K33-E35 HydrophobicContact CD-CB 4.17Å; K33-E35 WeakPolarHBondContact CD-OE2 2.93Å; K33-E35 WeakPolarHBondContact CE-OE2 3.28Å; K33-E35 IonicContact NZ-OE2 2.72Å; K33-E35 PolarHBondContact NZ-OE2 2.99Å; K33-E35 PolarHBondContact O-N 3.28Å
34D71.8Confident76.7Confident51 Ų51148.4 Ų148.427%0.27369%0.694SS.*SBendtrans-74.417.9168.4-7326.3000112.1K30 R37K30-D34 VanDerWaalsContact CD-OD1 3.23Å; K30-D34 WeakPolarHBondContact CD-OD1 3.42Å; K30-D34 IonicContact NZ-OD1 3.73Å; K30-D34 PolarHBondContact NZ-OD1 3.1Å; K30-D34 IonicContact NZ-OD2 3.17Å; K30-D34 PolarHBondContact NZ-OD2 3.3Å; D34-R37 IonicContact OD2-CZ 3.64Å; D34-R37 IonicContact OD2-NE 2.71Å; D34-R37 IonicContact OD2-NH2 3.78Å; D34-R37 PolarHBondContact OD2-NH2 2.71Å
35E69.6Low78.6Confident142 Ų142150.2 Ų150.266%0.66469%0.693SS**THydrogen-bonded Turntrans-95.6109.6-173.8-169.9164.8-143.300107.1K33K33-E35 HydrophobicContact CB-CB 3.84Å; K33-E35 HydrophobicContact CD-CB 4.17Å; K33-E35 WeakPolarHBondContact CD-OE2 2.93Å; K33-E35 WeakPolarHBondContact CE-OE2 3.28Å; K33-E35 IonicContact NZ-OE2 2.72Å; K33-E35 PolarHBondContact NZ-OE2 2.99Å; K33-E35 PolarHBondContact O-N 3.28Å
36G82.3Confident80.4Confident69 Ų69147 Ų14771%0.71168%0.681SS**THydrogen-bonded Turntrans101.630.1-161.900000114.6
37R85.3Confident82.2Confident156 Ų156148.9 Ų148.959%0.58967%0.67SS**  trans-57.7146.7158.8-75.3176.1-176.8-165.75.1110D34 E39D34-R37 IonicContact OD2-CZ 3.64Å; D34-R37 IonicContact OD2-NE 2.71Å; D34-R37 IonicContact OD2-NH2 3.78Å; D34-R37 PolarHBondContact OD2-NH2 2.71Å; R37-E39 WeakPolarHBondContact CB-OE1 3.2Å; R37-E39 PolarHBondContact O-N 3.15Å; R37-E39 VanDerWaalsContact O-N 3.08Å
38W92.6Very high83.9Confident250 Ų250143.4 Ų143.495%0.94765%0.654SS**  trans-83.185.6-179.3-75.634.8000109.4
39E90Very high85.5Confident134 Ų134139.8 Ų139.863%0.62664%0.643SS**  trans-76155.5171.2-52.6-50.9142.200110.6R37 D41R37-E39 WeakPolarHBondContact CB-OE1 3.2Å; R37-E39 PolarHBondContact O-N 3.15Å; R37-E39 VanDerWaalsContact O-N 3.08Å; E39-D41 PolarHBondContact O-N 2.86Å
40H95.1Very high86.8Confident152 Ų152134 Ų13470%0.70464%0.637SS**  trans-84.753.3177.8-70.6-171.4000111.3K42 F43H40-K42 PolarHBondContact O-N 2.73Å; H40-K42 VanDerWaalsContact O-N 3.1Å; H40-F43 HydrophobicContact CB-CB 3.77Å; H40-F43 PolarHBondContact O-N 3.4Å
41D91.9Very high87.8Confident119 Ų119133.3 Ų133.364%0.63663%0.633SS**THydrogen-bonded Turntrans-52.8-32.8-170.272.6-30.9000115.4E39E39-D41 PolarHBondContact O-N 2.86Å
42K94.6Very high89Confident164 Ų164127.1 Ų127.171%0.71361%0.605SS**THydrogen-bonded Turntrans-1138.9-177.8-70.1153.4-172128.80113.3H40H40-K42 PolarHBondContact O-N 2.73Å; H40-K42 VanDerWaalsContact O-N 3.1Å
43F94.6Very high90Very high113 Ų113124.9 Ų124.950%0.49660%0.596SS.*  trans-80.7127.9175.3-176.7-88.2000110H40 E45 Q48H40-F43 HydrophobicContact CB-CB 3.77Å; H40-F43 PolarHBondContact O-N 3.4Å; F43-E45 HydrophobicContact CE1-CB 4.04Å; F43-Q48 HydrophobicContact CD2-CG 3.98Å; F43-Q48 HydrophobicContact CE2-CB 4.5Å; F43-Q48 HydrophobicContact CE2-CG 3.48Å; F43-Q48 VanDerWaalsContact CE2-CG 3.48Å; F43-Q48 HydrophobicContact CZ-CG 3.93Å
44R95.5Very high90.9Very high136 Ų136122.6 Ų122.651%0.51359%0.588SS.*  trans-132.7118174.6-83.1176.7-177.9175-1.9107.4E46 E47 Q48R44-E46 VanDerWaalsContact C-N 3.26Å; R44-E46 VanDerWaalsContact C-OE2 3.3Å; R44-E46 WeakPolarHBondContact CA-OE2 3.49Å; R44-E46 WeakPolarHBondContact CB-OE2 3.47Å; R44-E46 WeakPolarHBondContact CD-OE1 3.42Å; R44-E46 WeakPolarHBondContact CG-OE1 3.37Å; R44-E46 PolarHBondContact O-N 3.12Å; R44-E47 HydrophobicContact CB-CB 3.95Å; R44-E47 HydrophobicContact CB-CG 3.95Å; R44-E47 VanDerWaalsContact CD-CD 3.47Å; R44-E47 WeakPolarHBondContact CD-OE1 3.45Å; R44-E47 IonicContact CZ-OE1 3.8Å; R44-E47 IonicContact NE-OE1 2.71Å; R44-E47 IonicContact NH1-OE1 3.3Å; R44-E47 PolarHBondContact NH1-OE1 3.16Å; R44-E47 PolarHBondContact O-N 3.18Å; R44-Q48 WeakPolarHBondContact O-CG 3.05Å; R44-Q48 PolarHBondContact O-N 3.33Å; R44-Q48 VanDerWaalsContact O-N 3.11Å; R44-Q48 PolarHBondContact O-NE2 3.4Å
45E94.9Very high92Very high157 Ų157124.7 Ų124.773%0.73460%0.596SS**THydrogen-bonded Turntrans-65-35.9-173.5-173.3162.2-133.600111F43 Q48 A49F43-E45 HydrophobicContact CE1-CB 4.04Å; E45-Q48 PolarHBondContact O-N 2.95Å; E45-A49 PolarHBondContact O-N 3.15Å
46E89.6Confident93.2Very high133 Ų133118.4 Ų118.462%0.62157%0.567SS**THydrogen-bonded Turntrans-62.8-37.9173.972.2-77.2-165.500112.9R44 A49R44-E46 VanDerWaalsContact C-N 3.26Å; R44-E46 VanDerWaalsContact C-OE2 3.3Å; R44-E46 WeakPolarHBondContact CA-OE2 3.49Å; R44-E46 WeakPolarHBondContact CB-OE2 3.47Å; R44-E46 WeakPolarHBondContact CD-OE1 3.42Å; R44-E46 WeakPolarHBondContact CG-OE1 3.37Å; R44-E46 PolarHBondContact O-N 3.12Å; E46-A49 WeakPolarHBondContact O-CB 3.23Å
47E93.8Very high93.8Very high114 Ų114118 Ų11853%0.53355%0.548SS..THydrogen-bonded Turntrans-80.9-14.3176.5-65.5-177.4-162.700113.1R44 A49R44-E47 HydrophobicContact CB-CB 3.95Å; R44-E47 HydrophobicContact CB-CG 3.95Å; R44-E47 VanDerWaalsContact CD-CD 3.47Å; R44-E47 WeakPolarHBondContact CD-OE1 3.45Å; R44-E47 IonicContact CZ-OE1 3.8Å; R44-E47 IonicContact NE-OE1 2.71Å; R44-E47 IonicContact NH1-OE1 3.3Å; R44-E47 PolarHBondContact NH1-OE1 3.16Å; R44-E47 PolarHBondContact O-N 3.18Å; E47-A49 VanDerWaalsContact C-N 3.34Å
48Q95.9Very high94.4Very high115 Ų115114.7 Ų114.754%0.53755%0.554SS.*THydrogen-bonded Turntrans-88.2-2.1174.2-61.8-30.6-86.300113.1F43 R44 E45F43-Q48 HydrophobicContact CD2-CG 3.98Å; F43-Q48 HydrophobicContact CE2-CB 4.5Å; F43-Q48 HydrophobicContact CE2-CG 3.48Å; F43-Q48 VanDerWaalsContact CE2-CG 3.48Å; F43-Q48 HydrophobicContact CZ-CG 3.93Å; R44-Q48 WeakPolarHBondContact O-CG 3.05Å; R44-Q48 PolarHBondContact O-N 3.33Å; R44-Q48 VanDerWaalsContact O-N 3.11Å; R44-Q48 PolarHBondContact O-NE2 3.4Å; E45-Q48 PolarHBondContact O-N 2.95Å
49A94.1Very high94.5Very high62 Ų62107.1 Ų107.151%0.51253%0.531SS..SBendtrans-59.3138.9175.400000111.3E45 E46 E47 K51E45-A49 PolarHBondContact O-N 3.15Å; E46-A49 WeakPolarHBondContact O-CB 3.23Å; E47-A49 VanDerWaalsContact C-N 3.34Å; A49-K51 PolarHBondContact O-N 3.1Å
50P95.1Very high94.7Very high117 Ų117106.4 Ų106.476%0.7652%0.523SS*.  trans-59.2134.6168.8-21.432.8000110.2
51K96.1Very high94.6Very high103 Ų103102 Ų10245%0.44852%0.52SS..  trans-38.8137.1-178.5-68.2-165.2174.8-167.60113.6A49 E55 L56 I59 R65A49-K51 PolarHBondContact O-N 3.1Å; K51-E55 WeakPolarHBondContact CA-OE2 3.38Å; K51-E55 HydrophobicContact CB-CB 4.4Å; K51-E55 WeakPolarHBondContact CB-OE2 3.44Å; K51-E55 WeakPolarHBondContact CG-OE2 3.34Å; K51-L56 HydrophobicContact CB-CD2 3.95Å; K51-L56 HydrophobicContact CB-CG 4.1Å; K51-L56 HydrophobicContact CD-CD2 4Å; K51-I59 HydrophobicContact CD-CD1 4.43Å; K51-R65 PolarHBondContact O-NH1 3.31Å
52S95.3Very high94.6Very high47 Ų47102.9 Ų102.933%0.32952%0.515SS..  trans-62.2159.6179.971.90000110.9E54 E55 L56S52-E54 PolarHBondContact O-N 2.86Å; S52-E55 PolarHBondContact N-OE2 3.14Å; S52-E55 VanDerWaalsContact N-OE2 3.14Å; S52-E55 PolarHBondContact O-N 3.09Å; S52-E55 WeakPolarHBondContact OG-CB 3.22Å; S52-E55 VanDerWaalsContact OG-CG 3.27Å; S52-E55 WeakPolarHBondContact OG-CG 3.39Å; S52-E55 PolarHBondContact OG-N 3.06Å; S52-L56 WeakPolarHBondContact O-CG 3.29Å; S52-L56 PolarHBondContact O-N 3.14Å
53R94.5Very high94.6Very high132 Ų13295.7 Ų95.750%0.49849%0.485SS..Hα-helixtrans-63.5-31.7175.4168.6172.2168.2-75.80.4110.7L56 I57 D63R53-L56 PolarHBondContact O-N 3.42Å; R53-I57 HydrophobicContact CG-CD1 3.71Å; R53-I57 HydrophobicContact CG-CG1 4.46Å; R53-I57 WeakPolarHBondContact O-CB 3.48Å; R53-I57 WeakPolarHBondContact O-CD1 3.27Å; R53-I57 WeakPolarHBondContact O-CG1 3.25Å; R53-I57 PolarHBondContact O-N 2.85Å; R53-D63 HydrophobicContact CG-CB 4.3Å; R53-D63 WeakPolarHBondContact CG-OD2 3.38Å
54E95.5Very high94.4Very high108 Ų10894 Ų9451%0.50548%0.48SS..Hα-helixtrans-72.3-41.1-178-64.556-123.800109.8S52 A58S52-E54 PolarHBondContact O-N 2.86Å; E54-A58 VanDerWaalsContact O-CB 3.25Å; E54-A58 WeakPolarHBondContact O-CB 3.23Å; E54-A58 PolarHBondContact O-N 3.13Å
55E95.7Very high94.1Very high95 Ų9594 Ų9444%0.44448%0.48SS..Hα-helixtrans-62.9-43.7168.8-79.4173.6176.900112.9K51 S52 A58 I59K51-E55 WeakPolarHBondContact CA-OE2 3.38Å; K51-E55 HydrophobicContact CB-CB 4.4Å; K51-E55 WeakPolarHBondContact CB-OE2 3.44Å; K51-E55 WeakPolarHBondContact CG-OE2 3.34Å; S52-E55 PolarHBondContact N-OE2 3.14Å; S52-E55 VanDerWaalsContact N-OE2 3.14Å; S52-E55 PolarHBondContact O-N 3.09Å; S52-E55 WeakPolarHBondContact OG-CB 3.22Å; S52-E55 VanDerWaalsContact OG-CG 3.27Å; S52-E55 WeakPolarHBondContact OG-CG 3.39Å; S52-E55 PolarHBondContact OG-N 3.06Å; E55-A58 PolarHBondContact O-N 3.14Å; E55-I59 WeakPolarHBondContact O-CB 3.46Å; E55-I59 VanDerWaalsContact O-CG1 3.23Å; E55-I59 WeakPolarHBondContact O-CG1 3.23Å; E55-I59 PolarHBondContact O-N 3.07Å
56L95.4Very high93.4Very high11 Ų1191.3 Ų91.36%0.05847%0.47CS..Hα-helixtrans-66.3-40.5179.1-66.8-179.9000111.3K51 S52 R53 I59 Y60 D63 I64 R65K51-L56 HydrophobicContact CB-CD2 3.95Å; K51-L56 HydrophobicContact CB-CG 4.1Å; K51-L56 HydrophobicContact CD-CD2 4Å; S52-L56 WeakPolarHBondContact O-CG 3.29Å; S52-L56 PolarHBondContact O-N 3.14Å; R53-L56 PolarHBondContact O-N 3.42Å; L56-I59 PolarHBondContact O-N 2.87Å; L56-Y60 HydrophobicContact CD2-CD2 4.2Å; L56-Y60 HydrophobicContact CD2-CE2 4Å; L56-Y60 WeakPolarHBondContact O-CB 3.46Å; L56-Y60 WeakPolarHBondContact O-CD2 3.36Å; L56-Y60 PolarHBondContact O-N 2.91Å; L56-D63 WeakPolarHBondContact CD1-OD1 3.48Å; L56-I64 HydrophobicContact CD1-CG1 3.99Å; L56-I64 HydrophobicContact CD2-CD1 4.07Å; L56-I64 HydrophobicContact CD2-CG1 4.11Å; L56-R65 HydrophobicContact CD1-CG 4.18Å; L56-R65 VanDerWaalsContact CD1-CZ 3.42Å
57I94.6Very high92.2Very high60 Ų6087.7 Ų87.731%0.30847%0.469SS..Hα-helixtrans-65.9-38.4173.2-68166.3000111.1R53 G61 D63R53-I57 HydrophobicContact CG-CD1 3.71Å; R53-I57 HydrophobicContact CG-CG1 4.46Å; R53-I57 WeakPolarHBondContact O-CB 3.48Å; R53-I57 WeakPolarHBondContact O-CD1 3.27Å; R53-I57 WeakPolarHBondContact O-CG1 3.25Å; R53-I57 PolarHBondContact O-N 2.85Å; I57-G61 WeakPolarHBondContact O-CA 3.38Å; I57-G61 PolarHBondContact O-N 2.76Å; I57-D63 HydrophobicContact CG1-CB 4.49Å
58A96.7Very high90.5Very high86 Ų8686.1 Ų86.171%0.71148%0.483SS*.Hα-helixtrans-67.4-35.5176.900000113.3E54 E55E54-A58 VanDerWaalsContact O-CB 3.25Å; E54-A58 WeakPolarHBondContact O-CB 3.23Å; E54-A58 PolarHBondContact O-N 3.13Å; E55-A58 PolarHBondContact O-N 3.14Å
59I95.7Very high88.6Confident92 Ų9283.9 Ų83.947%0.47249%0.491SS..Hα-helixtrans-84-37.4-178.7-65.1166.6000112.2K51 E55 L56K51-I59 HydrophobicContact CD-CD1 4.43Å; E55-I59 WeakPolarHBondContact O-CB 3.46Å; E55-I59 VanDerWaalsContact O-CG1 3.23Å; E55-I59 WeakPolarHBondContact O-CG1 3.23Å; E55-I59 PolarHBondContact O-N 3.07Å; L56-I59 PolarHBondContact O-N 2.87Å
60Y93.8Very high86.7Confident118 Ų11886.3 Ų86.346%0.46350%0.504SS..Hα-helixtrans-117.2-7.5-170.8-60-72.2000114.6L56 Y62 I64L56-Y60 HydrophobicContact CD2-CD2 4.2Å; L56-Y60 HydrophobicContact CD2-CE2 4Å; L56-Y60 WeakPolarHBondContact O-CB 3.46Å; L56-Y60 WeakPolarHBondContact O-CD2 3.36Å; L56-Y60 PolarHBondContact O-N 2.91Å; Y60-Y62 WeakPolarHBondContact O-CD1 3.23Å; Y60-Y62 VanDerWaalsContact O-CE1 3.28Å; Y60-Y62 WeakPolarHBondContact O-CE1 3.42Å; Y60-Y62 PolarHBondContact O-N 3.2Å; Y60-I64 HydrophobicContact CD1-CG2 4.4Å; Y60-I64 HydrophobicContact CD2-CD1 4.29Å; Y60-I64 HydrophobicContact CD2-CG2 3.79Å; Y60-I64 HydrophobicContact CE2-CD1 3.94Å; Y60-I64 HydrophobicContact CE2-CG2 4.4Å; Y60-I64 HydrophobicContact CG-CG2 3.79Å
61G94.3Very high84.6Confident61 Ų6183.1 Ų83.163%0.62949%0.493SS*.SBendtrans79.4-10.3-171.700000114.6I57I57-G61 WeakPolarHBondContact O-CA 3.38Å; I57-G61 PolarHBondContact O-N 2.76Å
62Y91.3Very high82.5Confident137 Ų13785.2 Ų85.254%0.53752%0.517SS..SBendtrans-154.9159-179.661.2-82.5000111.5Y60 I64Y60-Y62 WeakPolarHBondContact O-CD1 3.23Å; Y60-Y62 VanDerWaalsContact O-CE1 3.28Å; Y60-Y62 WeakPolarHBondContact O-CE1 3.42Å; Y60-Y62 PolarHBondContact O-N 3.2Å; Y62-I64 HydrophobicContact CD2-CG2 4.25Å; Y62-I64 HydrophobicContact CE2-CB 4.48Å; Y62-I64 HydrophobicContact CE2-CG2 3.75Å; Y62-I64 PolarHBondContact O-N 2.87Å; Y62-I64 VanDerWaalsContact O-N 3.16Å
63D93.4Very high80.6Confident13 Ų1386 Ų867%0.0753%0.532CS..  trans-74.8106.7172.8-165.3-31000110.2R53 L56 I57 R65 N66 G67R53-D63 HydrophobicContact CG-CB 4.3Å; R53-D63 WeakPolarHBondContact CG-OD2 3.38Å; L56-D63 WeakPolarHBondContact CD1-OD1 3.48Å; I57-D63 HydrophobicContact CG1-CB 4.49Å; D63-R65 PolarHBondContact O-N 3.5Å; D63-R65 VanDerWaalsContact O-N 3.12Å; D63-R65 WeakPolarHBondContact OD1-CB 3.2Å; D63-R65 WeakPolarHBondContact OD1-CG 3.2Å; D63-R65 IonicContact OD1-CZ 3.62Å; D63-R65 PolarHBondContact OD1-N 3.47Å; D63-R65 IonicContact OD1-NE 2.74Å; D63-R65 PolarHBondContact OD1-NE 2.98Å; D63-R65 IonicContact OD1-NH2 3.67Å; D63-R65 IonicContact OD2-CZ 3.36Å; D63-R65 IonicContact OD2-NE 2.6Å; D63-R65 PolarHBondContact OD2-NE 2.92Å; D63-R65 IonicContact OD2-NH2 3.18Å; D63-R65 PolarHBondContact OD2-NH2 3.12Å; D63-N66 HydrophobicContact CB-CB 4.42Å; D63-N66 PolarHBondContact O-N 3Å; D63-G67 PolarHBondContact O-N 3.46Å
64I90.8Very high78.4Confident78 Ų7885.8 Ų85.840%0.454%0.541SS..THydrogen-bonded Turntrans-60.6-18.3179.258.9168.8000113.5L56 Y60 Y62 N66L56-I64 HydrophobicContact CD1-CG1 3.99Å; L56-I64 HydrophobicContact CD2-CD1 4.07Å; L56-I64 HydrophobicContact CD2-CG1 4.11Å; Y60-I64 HydrophobicContact CD1-CG2 4.4Å; Y60-I64 HydrophobicContact CD2-CD1 4.29Å; Y60-I64 HydrophobicContact CD2-CG2 3.79Å; Y60-I64 HydrophobicContact CE2-CD1 3.94Å; Y60-I64 HydrophobicContact CE2-CG2 4.4Å; Y60-I64 HydrophobicContact CG-CG2 3.79Å; Y62-I64 HydrophobicContact CD2-CG2 4.25Å; Y62-I64 HydrophobicContact CE2-CB 4.48Å; Y62-I64 HydrophobicContact CE2-CG2 3.75Å; Y62-I64 PolarHBondContact O-N 2.87Å; Y62-I64 VanDerWaalsContact O-N 3.16Å; I64-N66 VanDerWaalsContact C-N 3.31Å
65R89.4Confident76.1Confident134 Ų13490.1 Ų90.151%0.50655%0.553SS.*THydrogen-bonded Turntrans-71.6-27.7172.8-58.3173.1-72.9-142.2-0.2111.9K51 L56 D63K51-R65 PolarHBondContact O-NH1 3.31Å; L56-R65 HydrophobicContact CD1-CG 4.18Å; L56-R65 VanDerWaalsContact CD1-CZ 3.42Å; D63-R65 PolarHBondContact O-N 3.5Å; D63-R65 VanDerWaalsContact O-N 3.12Å; D63-R65 WeakPolarHBondContact OD1-CB 3.2Å; D63-R65 WeakPolarHBondContact OD1-CG 3.2Å; D63-R65 IonicContact OD1-CZ 3.62Å; D63-R65 PolarHBondContact OD1-N 3.47Å; D63-R65 IonicContact OD1-NE 2.74Å; D63-R65 PolarHBondContact OD1-NE 2.98Å; D63-R65 IonicContact OD1-NH2 3.67Å; D63-R65 IonicContact OD2-CZ 3.36Å; D63-R65 IonicContact OD2-NE 2.6Å; D63-R65 PolarHBondContact OD2-NE 2.92Å; D63-R65 IonicContact OD2-NH2 3.18Å; D63-R65 PolarHBondContact OD2-NH2 3.12Å
66N80.1Confident73.6Confident101 Ų10190.3 Ų90.354%0.5457%0.571SS.*THydrogen-bonded Turntrans-94.7-10.8180-64.965.8000112.8D63 I64 G68D63-N66 HydrophobicContact CB-CB 4.42Å; D63-N66 PolarHBondContact O-N 3Å; I64-N66 VanDerWaalsContact C-N 3.31Å; N66-G68 PolarHBondContact O-N 2.71Å
67G64.4Low71.3Confident57 Ų5799.9 Ų99.959%0.58861%0.608SS**THydrogen-bonded Turntrans-63.13.517900000116D63D63-G67 PolarHBondContact O-N 3.46Å
68G59.3Low69.2Low81 Ų81107.3 Ų107.384%0.83563%0.632SS**THydrogen-bonded Turntrans-77.3-13.3175.300000115.6N66N66-G68 PolarHBondContact O-N 2.71Å
69G56.1Low66.7Low69 Ų69111.7 Ų111.771%0.71164%0.637SS**THydrogen-bonded Turntrans163.111.4175.300000120.6
70S53.3Low64.6Low112 Ų112118 Ų11878%0.78366%0.656SS**  trans-132.437.3-176.2-60.30000115.1
71G51Low62.6Low50 Ų50123.2 Ų123.252%0.51567%0.674SS.*  trans-92.2130.8166.900000111.2G73G71-G73 PolarHBondContact O-N 3.02Å
72P52.2Low60.2Low148 Ų148126.1 Ų126.196%0.96168%0.682SS**THydrogen-bonded Turntrans-78.848.3-175.535.1-38.1000112.9
73G55.9Low58.3Low62 Ų62131 Ų13164%0.63970%0.7SS**THydrogen-bonded Turntrans-163.2-31.2-177.100000113.8G71 R75G71-G73 PolarHBondContact O-N 3.02Å; G73-R75 PolarHBondContact O-N 3.1Å; G73-R75 VanDerWaalsContact O-N 3.14Å
74D47.8Very low56.1Low129 Ų129138.8 Ų138.869%0.6974%0.736SS**  trans-88.193.9-179.4-130.7-18.8000112.9
75R48Very low53.7Low198 Ų198140.5 Ų140.575%0.74775%0.754SS**  trans7.5129.3139.5-57.4176.8179.892.5-0.1115G73 Y77G73-R75 PolarHBondContact O-N 3.1Å; G73-R75 VanDerWaalsContact O-N 3.14Å; R75-Y77 PolarHBondContact O-N 3.29Å
76A42.7Very low52Low100 Ų100138.7 Ų138.783%0.82676%0.763SS**  trans-65.777.9161.900000111R78A76-R78 PolarHBondContact O-N 3.01Å
77Y45.7Very low50.3Low211 Ų211139.3 Ų139.383%0.82777%0.772SS**  trans-70.375.2-179.1-170.4-99.1000110.9R75R75-Y77 PolarHBondContact O-N 3.29Å
78R51.5Low49.7Very low216 Ų216143 Ų14382%0.81579%0.786SS**  trans36.982.7-176.7-60.9-171.5-166.5-108.37.4113.6A76 R80A76-R78 PolarHBondContact O-N 3.01Å; R78-R80 PolarHBondContact O-N 2.74Å
79Q44.9Very low49.3Very low178 Ų178142 Ų14283%0.83278%0.775SS**  trans-5196148.1-82.2-70.3-200108.7R81Q79-R81 VanDerWaalsContact C-N 3.29Å; Q79-R81 PolarHBondContact O-N 3.08Å
80R51.6Low48.9Very low226 Ų226148.2 Ų148.285%0.85378%0.777SS**  trans-70.289.2178.6-84.5-174.3168.9-122.93.7107.5R78R78-R80 PolarHBondContact O-N 2.74Å
81R50.6Low48.7Very low226 Ų226149.2 Ų149.285%0.85377%0.773SS**  trans-38.5124.3176.1-73.5-172.1175.7-161-0.1110.4Q79 R83Q79-R81 VanDerWaalsContact C-N 3.29Å; Q79-R81 PolarHBondContact O-N 3.08Å; R81-R83 PolarHBondContact O-N 2.67Å
82P43.6Very low48.5Very low123 Ų123155.7 Ų155.780%0.79979%0.788SS**  trans-57.2108.6171.4-24.834.5000109.7Q84P82-Q84 PolarHBondContact O-N 2.7Å
83R53.1Low48.3Very low239 Ų239159.1 Ų159.190%0.90278%0.781SS**SBendtrans-77.747.8178.8-80.3-167.3170.3-141.33112R81R81-R83 PolarHBondContact O-N 2.67Å
84Q45.4Very low47.9Very low177 Ų177166.9 Ų166.983%0.82779%0.791SS**  trans-147.166.7169.5-68.9-57.1-15.300110.3P82P82-Q84 PolarHBondContact O-N 2.7Å
85S41.8Very low47.9Very low113 Ų113171.1 Ų171.179%0.7980%0.798SS**  trans-88.3111.4156.4-177.60000107.1
86S53.1Low47.5Very low97 Ų97168.6 Ų168.668%0.67880%0.799SS**  trans-67.6141.5173.636.30000110.2
87P44.1Very low47.8Very low114 Ų114167.8 Ų167.874%0.7480%0.8SS**  trans-62.7130179.5-23.534000111.8G89P87-G89 PolarHBondContact O-N 3.37Å
88P52.2Low47.4Very low135 Ų135166.7 Ų166.788%0.87780%0.803SS**THydrogen-bonded Turntrans-7296179.729-34.2000110.4
89G49.8Very low46.9Very low59 Ų59167.9 Ų167.961%0.60881%0.807SS**THydrogen-bonded Turntrans173.9-10.217800000119.9P87P87-G89 PolarHBondContact O-N 3.37Å
90R48.5Very low46.6Very low199 Ų199165.6 Ų165.675%0.75181%0.808SS**SBendtrans-84.6-25.9-177.6-85.5-167.9178-97.12.5115.2K92 R93R90-K92 VanDerWaalsContact C-N 3.31Å; R90-K92 PolarHBondContact O-N 2.91Å; R90-R93 PolarHBondContact O-N 2.97Å
91D48.9Very low45.8Very low133 Ų133158.8 Ų158.871%0.71180%0.8SS**G310 helixtrans-74.2-20.1-165.1-48.9-62.3000114.1R93D91-R93 PolarHBondContact O-N 3.46Å
92K47.6Very low45.1Very low187 Ų187159.7 Ų159.781%0.81380%0.803SS**G310 helixtrans-74.1-4.3174.1-69.9-163.8176.1-171.90114.6R90R90-K92 VanDerWaalsContact C-N 3.31Å; R90-K92 PolarHBondContact O-N 2.91Å
93R47.3Very low44.6Very low219 Ų219158.8 Ų158.883%0.82680%0.796SS**G310 helixtrans-97.55.2-180-80.7-170.1172.7-86.23.1115.5R90 D91R90-R93 PolarHBondContact O-N 2.97Å; D91-R93 PolarHBondContact O-N 3.46Å
94W47.7Very low44Very low225 Ų225159.8 Ų159.885%0.85280%0.8SS**SBendtrans-120.711-176.8-66.8114.8000114.9
95R48Very low43.7Very low219 Ų219158.7 Ų158.783%0.82680%0.795SS**SBendtrans-106.6-24.2-178.4-98-79.3-115.2-87.2-5.4114.9
96D38.6Very low43.3Very low144 Ų144160.4 Ų160.477%0.7780%0.795SS**SBendtrans-111.4121.3-175.4-56.2-60.3000110.6
97G49.6Very low42.3Very low83 Ų83167.3 Ų167.386%0.85681%0.806SS**  trans-92.2107.6-166.900000114.7
98Q37.2Very low41.7Very low188 Ų188165.3 Ų165.388%0.87981%0.806SS**  trans-132.5133.9149.4-85.8-151.3-30.100111.4
99R41.8Very low41.1Very low241 Ų241163.2 Ų163.291%0.90981%0.81SS**  trans-98.3119.1169.2-72.8179.4170.5-134.82.9109.6
100P38.9Very low40.7Very low130 Ų130163.8 Ų163.884%0.84482%0.815SS**  trans-65.5141.6151.2-14.830.7000109
101A33.7Very low40.8Very low83 Ų83160.2 Ų160.269%0.68682%0.818SS**  trans-116.2133.9-179.400000111.1
102R36.9Very low41.5Very low245 Ų245159.6 Ų159.693%0.92582%0.821SS**  trans68.8160.5177.1-44170-167.8-117.90.2111.6
103T32.3Very low41.6Very low105 Ų105156.6 Ų156.664%0.64482%0.821SS**  cis-123.51496.645.90000111.8
104W40.5Very low41.9Very low260 Ų260151.9 Ų151.999%0.98582%0.818SS**  trans-113.9102.5162.7-8888.2000107.7
105Q40.3Very low41.2Very low154 Ų154147 Ų14772%0.7282%0.818SS**  trans-146.2120.8-179.6-98.5149.1-9.100111.1
106N31.7Very low40.3Very low148 Ų148142.6 Ų142.679%0.79182%0.816SS**  trans66.8115.9159.1-66.1-6.4000120.7
107R32.7Very low40.5Very low242 Ų242142 Ų14291%0.91382%0.818SS**  49.9116.7108.1-155.9-175.4-152.5-1099.9115.9
108G32.3Very low40.9Very low72 Ų72143.3 Ų143.374%0.74281%0.811SS**  cis123.1127.111.400000110.8
109G39.8Very low41.6Very low92 Ų92140 Ų14095%0.94881%0.806SS**  trans72.292.9170.400000116.9
110G40.3Very low41.8Very low70 Ų70133.9 Ų133.972%0.72280%0.797SS**  trans-175.5139.6166.400000112.7
111P50.6Low41.5Very low124 Ų124132.9 Ų132.981%0.80579%0.793SS**PPolyproline II helixtrans-79.5155.8172.533.6-34.4000111.8
112P63.2Low41.4Very low120 Ų120134 Ų13478%0.77980%0.796SS**PPolyproline II helixtrans-72.8149.7175.930.7-35000112.6
113P49.1Very low41.2Very low125 Ų125127.5 Ų127.581%0.81279%0.788SS**PPolyproline II helixtrans-84.4155-176.433.9-36.2000114.2
114P54Low41.4Very low120 Ų120128.5 Ų128.578%0.77980%0.8SS**  trans-105.2137.9178.437.5-31.7000114.8
115S32.5Very low41Very low121 Ų121119.4 Ų119.485%0.84678%0.78SS**  trans174.8146.3168.9-870000109.3
116T31.1Very low41Very low128 Ų128121.6 Ų121.679%0.78579%0.787SS**  cis-149.2172.1-6.9-60.80000108.2
117V41.4Very low42Very low132 Ų132119.6 Ų119.680%0.878%0.782SS**  trans-120.3-161.1-167.7-151.60000112.5
118P59.5Low42.4Very low110 Ų110113.9 Ų113.971%0.71478%0.776SS**  -98.6-159.4-119.644-27.9000114.5
119P49.9Very low42.6Very low118 Ų118118.5 Ų118.577%0.76678%0.783SS**  -149.1-155.37539.1-14.1000113.9
120P47.9Very low42.2Very low112 Ų112119.4 Ų119.473%0.72778%0.775SS**  -133.5171.7-82.442.1-26.8000115.9
121S31.2Very low41.8Very low109 Ų109121 Ų12176%0.76278%0.781SS**  trans178.5128.4133.3-80.20000114.5
122S31.6Very low40.8Very low106 Ų106119.4 Ų119.474%0.74178%0.779SS**  trans23145.9148.957.70000123.8
123S33.9Very low39.4Very low110 Ų110121.5 Ų121.577%0.76978%0.778SS**  cis-174.8147.3-7.9-93.20000112.6
124S35.1Very low38.5Very low126 Ų126127.8 Ų127.888%0.88179%0.786SS**  trans55.9152.8158.3-92.10000120.5
125A33.7Very low37.4Very low69 Ų69126.4 Ų126.457%0.5778%0.779SS**  cis-148.4163-12.100000106.6
126F39.2Very low37.3Very low199 Ų199127.6 Ų127.687%0.87378%0.776SS**  cis-148.317030.7-73.9-93.7000110.7
127P52.3Low37.3Very low107 Ų107129.7 Ų129.770%0.69578%0.782SS**PPolyproline II helixtrans-92.3150.6-176.535.7-35.3000115.1
128P41.6Very low36.9Very low121 Ų121129 Ų12979%0.78678%0.783SS**PPolyproline II helixtrans-87.4117.4167.733.1-30.5000111.8
129L36.1Very low35.7Very low169 Ų169129 Ų12989%0.88579%0.786SS**PPolyproline II helixtrans-74.7150.4170.5-66.2175.7000111.3
130S32.3Very low35Very low111 Ų111135.1 Ų135.178%0.77679%0.794SS**  trans-134.9150-175.7-73.70000113.1
131A31.2Very low34.9Very low103 Ų103135 Ų13585%0.85179%0.793SS**  trans63.6113.6164.800000119.1
132A29.7Very low35.6Very low91 Ų91135.3 Ų135.375%0.75279%0.792SS**  -162.6127.1117.300000113.3
133Q33.8Very low36.1Very low165 Ų165136.3 Ų136.377%0.77180%0.796SS**  trans48.399.6140.4-62.3-64-51.700120.5
134R30.1Very low36.1Very low257 Ų257136.7 Ų136.797%0.9780%0.799SS**  -155.6101122.3-112.5172.5-168.9-87.8-1.6111.2
135S30.8Very low36.1Very low90 Ų90142.7 Ų142.763%0.62980%0.802SS**  trans-83.3139.3172.853.30000111.3
136N31.7Very low36.1Very low147 Ų147144.7 Ų144.779%0.78681%0.812SS**  177.7111.6127.9-91-7000110.9
137N31.2Very low35.9Very low172 Ų172146.9 Ų146.992%0.9281%0.814SS**  trans-173.3126.2137.8-98.6-22.3000109.3
138S32.6Very low35.2Very low116 Ų116146.3 Ų146.381%0.81181%0.811SS**  trans-97.6126.1-169.3-64.50000113.3
139S34.2Very low34.9Very low112 Ų112146.3 Ų146.378%0.78381%0.811SS**  trans47.1105134.5-540000120.3
140R33.9Very low34.8Very low245 Ų245147 Ų14793%0.92581%0.809SS**  -160.8117.2121.4-137.5176.6-176.9-141.10.8114.8
141P46.7Very low34.9Very low109 Ų109151.2 Ų151.271%0.70881%0.81SS**  trans-90.6159.8164.435.4-32.7000112.3
142P45.8Very low34.9Very low117 Ų117151 Ų15176%0.7680%0.802SS**  trans-78.5154.4173.733-35.2000112.7S144P142-S144 PolarHBondContact O-N 2.9Å
143P41.8Very low35Very low126 Ų126155.5 Ų155.582%0.81881%0.807SS**  trans-85.7110.1-175.532.4-34000113.7
144S34.3Very low35Very low119 Ų119151.6 Ų151.683%0.83280%0.803SS**  trans-71.6128.1157.9-65.10000109.9P142P142-S144 PolarHBondContact O-N 2.9Å
145R34.3Very low35.3Very low252 Ų252148.2 Ų148.295%0.95180%0.798SS**  trans-114.8106.7-177.7-147.9-179.6-164.9-1474.1111.5
146S35.6Very low35.7Very low110 Ų110149.8 Ų149.877%0.76981%0.806SS**  trans-104.5132.1-176.1-48.50000112.2
147R33.1Very low35.5Very low245 Ų245150.7 Ų150.793%0.92581%0.81SS**  trans-161164.6154.5-112-152.1161.8-152.7-5.2110.5
148P39.2Very low35.4Very low95 Ų95148.4 Ų148.462%0.61781%0.807SS**  -126166.9-117.740.8-27000115.2
149P34.4Very low35.3Very low121 Ų121151.3 Ų151.379%0.78681%0.808SS**PPolyproline II helixtrans-75.9129.5162.332.1-32000110.4
150H34.8Very low35.1Very low184 Ų184151.4 Ų151.485%0.85281%0.809SS**PPolyproline II helixtrans-99.1141.1167.3-163.9-79.5000109.7
151Y33.7Very low35Very low200 Ų200147 Ų14778%0.78480%0.799SS**PPolyproline II helixtrans-100.6158.6-179.4-112.4-97.4000112.1
152S31.5Very low34.3Very low98 Ų98152.9 Ų152.969%0.68581%0.808SS**  trans49.3121.4156.259.50000120.3
153Q31.9Very low33.6Very low185 Ų185158.5 Ų158.586%0.86482%0.815SS**  -158.2169.1113.4-103.5-62.113.300110.6
154A34Very low33Very low83 Ų83159.7 Ų159.769%0.68681%0.814SS**  trans-82.9167.1-172.300000115.2
155H35.1Very low32.8Very low187 Ų187161.6 Ų161.687%0.86682%0.815SS**  trans-62.7152.9169.9-61-79.8000112.1
156P39.2Very low32.8Very low123 Ų123158.5 Ų158.580%0.79981%0.811SS**  -137.6177.4106.539.7-30000115.5
157L28.7Very low33Very low166 Ų166159.3 Ų159.387%0.86982%0.817SS**  trans-51.8143.2-179.9-57.6153.3000115.4
158S28.9Very low32.9Very low124 Ų124155.6 Ų155.687%0.86782%0.815SS**  174.4170.9110.146.80000114.2
159Q29.6Very low32.6Very low177 Ų177154.6 Ų154.683%0.82782%0.815SS**  trans-53.8152.7-172.1-70167.2-1400115.5
160S30.3Very low32.9Very low114 Ų114154.2 Ų154.280%0.79781%0.812SS**  -159.9173.57724.90000114.9
161E33.2Very low32.8Very low152 Ų152153.1 Ų153.171%0.7181%0.808SS**  trans-68.6146.7-158.9-68.990.1140.500116.6
162Y31.3Very low32.7Very low232 Ų232149.4 Ų149.491%0.9181%0.805SS**  -155.978.2125.4-110.5-70.2000113.5
163R30.7Very low32.7Very low236 Ų236152.6 Ų152.689%0.89181%0.809SS**  trans32.297.9140.2-169.1-176.3-171.9171.33.3119
164N28.5Very low33Very low150 Ų150150 Ų15080%0.80281%0.808SS**  trans-152.6102.7141.1-157.9-75000112
165N31.8Very low33.1Very low159 Ų159157.9 Ų157.985%0.8582%0.82SS**  trans-131.9111170.7-89.334.9000108.1
166E34.2Very low32.8Very low188 Ų188156.6 Ų156.688%0.87982%0.815SS**  trans-150111.8154.2-137.6163.310400111.2
167S38.8Very low32.7Very low127 Ų127162.5 Ų162.589%0.88882%0.821SS**  trans-164.289.5172.5-79.40000109
168N30.6Very low32.9Very low167 Ų167162.3 Ų162.389%0.89382%0.815SS**  trans-148.5149.2155-150.7-0.4000111.2
169A32.7Very low32.9Very low74 Ų74160.7 Ų160.761%0.61281%0.809SS**  trans-102.7-169.1172.700000107.8
170P41.7Very low33.7Very low112 Ų112157.5 Ų157.573%0.72780%0.804SS**  cis-143-163.69.638.5-14.8000115.8
171Q32.8Very low33.6Very low162 Ų162161.1 Ų161.176%0.75781%0.806SS**  trans71.5113163.4-61.5-73.99.300118.7
172V31.8Very low33.4Very low121 Ų121159.5 Ų159.573%0.73381%0.811SS**  -172.8146.692.7-85.60000113.6
173H31.6Very low33.1Very low165 Ų165156.7 Ų156.776%0.76481%0.807SS**  trans13.9138.5160.5-50.2-70.1000123.9
174P37.5Very low33.2Very low131 Ų131153.9 Ų153.985%0.85181%0.808SS**  trans-99.2157.3133.421.5-4.7000112.2
175R35.4Very low33.1Very low248 Ų248153 Ų15394%0.93680%0.803SS**  trans-106.4141.9-164.8-177.6176.3178.5170.90.7114
176E30.2Very low33.3Very low160 Ų160152.8 Ų152.875%0.74880%0.801SS**  trans-75161.3-178.4-57.8175.1111.600115
177R36.5Very low33.8Very low248 Ų248149.6 Ų149.694%0.93680%0.797SS**  trans-149.4140.9150.1-104.5-169.2-77.2-150.20.4110.4
178H32.9Very low33.4Very low161 Ų161147 Ų14775%0.74579%0.79SS**  trans-82.3134.6-172.1-53.1-76000112.2
179A28.5Very low33.4Very low90 Ų90145.4 Ų145.474%0.74478%0.781SS**  84.8166.293.500000114.2
180P46.9Very low33.5Very low111 Ų111152.6 Ų152.672%0.72179%0.793SS**  cis-139.5155.56.241.5-22.9000119.8
181K27.8Very low32.9Very low189 Ų189151.3 Ų151.382%0.82280%0.8SS**  trans53.3114.9136.8-64.8178.2176.4-179.70124.4
182S29.1Very low32.8Very low119 Ų119147.1 Ų147.183%0.83280%0.8SS**  -176.7146.712733.60000109.2
183Q25.2Very low32.8Very low173 Ų173147 Ų14781%0.80881%0.805SS**  cis97.695.5-3.6-161.1179.1-9.400119.5
184L32.9Very low33Very low176 Ų176144.7 Ų144.792%0.92180%0.802SS**  trans-166.7170.6143.8-114.1168.5000110.5
185D26.7Very low32.8Very low132 Ų132150.2 Ų150.271%0.70681%0.806SS**  trans-140.7153.4-154.3-110.7-54.8000115.6
186L35.5Very low32.7Very low154 Ų154142.4 Ų142.481%0.80680%0.803SS**  trans65174.6155.2-63.1167.5000118.8
187P45.5Very low32.7Very low122 Ų122138.7 Ų138.779%0.79281%0.807SS**  -138.3-175.9-57.941.4-26.6000114.5
188G29.4Very low32.7Very low71 Ų71138.4 Ų138.473%0.73281%0.806SS**  trans134.778.3136.900000123.5
189D31.4Very low32.7Very low134 Ų134137.1 Ų137.172%0.71781%0.809SS**  69.4151.1126.6-146.112.9000125.6
190R33.9Very low33Very low225 Ų225141.7 Ų141.785%0.84982%0.815SS**  trans66.6121.2156.4-85.3160.6-145.9-131.7-3.2125.1
191G29.5Very low32.2Very low85 Ų85140.4 Ų140.488%0.87682%0.821SS**  trans122.1120.4136.500000117.6
192G30Very low32.4Very low74 Ų74135 Ų13576%0.76382%0.82SS**  cis138.150.1-20.900000119.1
193S32.8Very low32.8Very low120 Ų120142 Ų14284%0.83983%0.828SS**  trans-177169.6162.5-88.50000113.7
194V34.9Very low33Very low115 Ų115137.7 Ų137.770%0.69783%0.83SS**  -174.4142.8-52.7127.70000111.5
195R34.7Very low33Very low247 Ų247132.5 Ų132.593%0.93282%0.819SS**  trans68.3147.5163.5-79.7163.6-169.6-142.62.2121.8
196G31.4Very low33.1Very low84 Ų84132 Ų13287%0.86683%0.826SS**  trans123.2128161.300000114.5
197G32.1Very low33Very low82 Ų82129.9 Ų129.985%0.84582%0.824SS**  cis157.972.7-7.500000114.7
198R34.7Very low32.3Very low243 Ų243130.2 Ų130.292%0.91782%0.823SS**  trans-12.1140.8176.5-47.3179-170-1633.8118.9
199V34.1Very low32.4Very low134 Ų134133.3 Ų133.381%0.81283%0.828SS**  179.3161.8112.1147.70000112.6
200H34.1Very low32.6Very low186 Ų186134.2 Ų134.286%0.86183%0.831SS**  trans-68.2156.2-175.2-55.9-113.9000115.9
201G30.9Very low32.6Very low83 Ų83132.1 Ų132.186%0.85683%0.831SS**  trans177.2123.7160.300000111.6
202G31.7Very low32.6Very low76 Ų76137.2 Ų137.278%0.78483%0.832SS**  trans-111.8164.3-168.200000116.3
203R37.4Very low32.8Very low265 Ų265139.9 Ų139.9100%183%0.833SS**  trans71.4106172.2-65.7-179.9170.5-112.90.6117.3
204G28.6Very low33Very low83 Ų83139.4 Ų139.486%0.85683%0.83SS**  trans-153.1150.6159.700000109.6
205G33.3Very low32.6Very low67 Ų67141.3 Ų141.369%0.69184%0.836SS**  trans-110.9-167.3174.800000112
206S30.2Very low32.6Very low122 Ų122134.4 Ų134.485%0.85383%0.826SS**  trans66.8133.6-166.364.90000113.1
207S32.6Very low32.5Very low109 Ų109139 Ų13976%0.76282%0.824SS**  cis81.4107.537.8-161.80000112.5
208V30.3Very low32.3Very low129 Ų129140.3 Ų140.378%0.78282%0.821SS**  trans-82.7132-177.6179.20000110.1I210V208-I210 HydrophobicContact CG1-CG1 4.31Å
209V31.9Very low32Very low136 Ų136132.3 Ų132.382%0.82481%0.814SS**  trans-123143.8159.2-178.40000105.9
210I36.1Very low31.9Very low153 Ų153130.6 Ų130.679%0.78581%0.814SS**  trans-97.7145-177.2-66.9174.9000109.3V208V208-I210 HydrophobicContact CG1-CG1 4.31Å
211E34.4Very low31.8Very low181 Ų181126.1 Ų126.185%0.84681%0.809SS**  trans-69.8151.8-178.4-63.7163.8104.700113.1
212E28.2Very low32Very low193 Ų193130.6 Ų130.690%0.90281%0.807SS**  trans-120.5149.1150.8-173.2166.9-145.800107.8
213V35Very low32Very low130 Ų130134.6 Ų134.679%0.78881%0.811SS**  trans-99.4144.7-169.9173.20000111.3
214S35.7Very low31.5Very low109 Ų109125 Ų12576%0.76279%0.794SS**  trans-54.4151.7-175.6-410000115.8
215D27.8Very low32.7Very low156 Ų156126.4 Ų126.483%0.83479%0.788SS**  trans-141.1-178.2133.7-138.7-35.2000111.6
216S34.1Very low32.7Very low102 Ų102133.9 Ų133.971%0.71380%0.796SS**  trans-109.5166.9-145.3-50.20000116.4
217Q29.8Very low32.9Very low179 Ų179131.5 Ų131.584%0.83678%0.779SS**  trans126.6101.2135.5-164.61592.900119.7
218S27.3Very low33Very low110 Ų110134 Ų13477%0.76978%0.779SS**  trans35.9134.3144.968.50000124.5
219G28.3Very low33.2Very low75 Ų75133.3 Ų133.377%0.77378%0.779SS**  trans161.5123.8144.400000117.3
220A31.3Very low33.1Very low99 Ų99131.8 Ų131.882%0.81878%0.781SS**  trans50.2136.1160.600000120.3
221A33.6Very low33Very low91 Ų91128.9 Ų128.975%0.75278%0.78SS**  cis76.6124.24000000112.3
222E33.7Very low32.8Very low177 Ų177126.9 Ų126.983%0.82778%0.781SS**  cis-148-178.64.1-62.7-161.5104.600113
223D31.7Very low33Very low161 Ų161122.9 Ų122.986%0.86177%0.774SS**  trans73.2149.3150.3-87.9-19.2000124.8
224G27.7Very low32.7Very low63 Ų63121.4 Ų121.465%0.64978%0.775SS**  trans-123-133.7164.500000109.4
225P53Low32.5Very low112 Ų112121.3 Ų121.373%0.72778%0.781SS**  cis-138.9-167.4-11.443.2-25.8000113.7
226R33.3Very low32.5Very low224 Ų224117.2 Ų117.285%0.84578%0.775SS**  trans69.5158.2157.3-70.8179.5174.6-118.5-0.6117.8
227S34.5Very low32.4Very low72 Ų72121 Ų12150%0.50378%0.782SS.*  cis-163.4160.4-14.5-102.60000111.2
228E34.3Very low33.3Very low163 Ų163118.1 Ų118.176%0.76278%0.779SS**  trans30.6154139-65.2142.8-102.500122.6
229S35.1Very low33.3Very low113 Ų113116.8 Ų116.879%0.7978%0.783SS**  cis-174.1165.8-13.658.20000110.2
230A29.6Very low33.2Very low104 Ų104117 Ų11786%0.8678%0.784SS**  trans-159.7151.8159.900000111
231A35Very low33Very low92 Ų92123.2 Ų123.276%0.7679%0.788SS**  trans-149.6162.7-172.300000114
232T30.1Very low32.7Very low140 Ų140127.4 Ų127.486%0.85979%0.792SS**  trans170165.4151.426.30000110.5
233S31.6Very low32.7Very low109 Ų109124.2 Ų124.276%0.76279%0.79SS**  -168.9160.8-52.4-94.50000110.9
234A28.3Very low33.6Very low99 Ų99122.7 Ų122.782%0.81879%0.788SS**  trans68.5140.7178.100000116.9
235A32.4Very low33.7Very low106 Ų106130 Ų13088%0.87680%0.797SS**  cis85.713115.200000117
236G28.1Very low32.7Very low70 Ų70135.1 Ų135.172%0.72280%0.801SS**  cis165.3168.5-11.400000115
237Q31.2Very low32.8Very low183 Ų183131.2 Ų131.286%0.85579%0.793SS**  trans70.3170.1164.5-60.7-62-27.400118.6
238P49.1Very low32.6Very low117 Ų117137.1 Ų137.176%0.7681%0.812SS**  cis-137.3173.4-39.635.4-18.7000116
239G27.2Very low32.4Very low83 Ų83136.9 Ų136.986%0.85681%0.811SS**  trans118.3128.1134.700000120.6
240G26.1Very low32.2Very low78 Ų78138.1 Ų138.180%0.80480%0.804SS**  trans161124.4167.300000114.3
241Y27.3Very low32.2Very low230 Ų230141.3 Ų141.390%0.90279%0.794SS**  trans-110.9146-174.8-73.4-103.7000113.1
242Q28.4Very low32Very low179 Ų179147.3 Ų147.384%0.83680%0.797SS**  179.4165114.2-102.7-163.912.800115.2
243S32.9Very low31.8Very low111 Ų111146 Ų14678%0.77679%0.794SS**  trans-149.7149.5157.1-69.90000108.3
244P49.8Very low31.5Very low128 Ų128146.8 Ų146.883%0.83180%0.799SS**  -140.8179.3129.836.3-22.3000114.4
245R30.6Very low31.6Very low218 Ų218145.2 Ų145.282%0.82379%0.793SS**  trans-134.2130.4-164160.5-166.8171.5-167.40.9111.6
246R30.8Very low31.4Very low219 Ų219147.6 Ų147.683%0.82679%0.791SS**  trans178.3142.9150.1-101.2163-172.4-79.54107.6
247Q35.3Very low31.6Very low142 Ų142155 Ų15566%0.66480%0.797SS**  cis73103.625.2-156.7-170.745.400114.7
248Q30.8Very low31.5Very low196 Ų196150.9 Ų150.992%0.91680%0.795SS**  trans-133.7153.4157.2-159.4166.117.100109.5
249Q31.4Very low30.7Very low157 Ų157149.6 Ų149.673%0.73479%0.794SS**  trans-138.4-172.6-169.9-172175.4-1.100107.6
250E30.2Very low30.8Very low140 Ų140150.3 Ų150.365%0.65479%0.786SS**  trans99.8149164.8-51.9-154.2142.300116.9
251R29.5Very low30.9Very low170 Ų170157.4 Ų157.464%0.64279%0.788SS**  cis-165.9154.8-24.6-109.5-171.5-143-83.4-4.3111.3
252R30.3Very low31.2Very low218 Ų218153.7 Ų153.782%0.82378%0.783SS**  trans75.1160.7143.8-75.9172.1172.2-171.2-1.8122
253S25.9Very low31.2Very low114 Ų114149.1 Ų149.180%0.79778%0.776SS**  trans73.8128.5171-60.20000116.9
254S26.6Very low31Very low124 Ų124148.5 Ų148.587%0.86778%0.778SS**  cis85129.340.3-167.90000112.7
255G29.6Very low30Very low67 Ų67147.7 Ų147.769%0.69178%0.775SS**  cis175.3177.3-2.400000113.5
256D28.5Very low29.9Very low155 Ų155143.1 Ų143.183%0.82977%0.771SS**  trans68.7145.9161.1-87.4-39000124.9
257R31.5Very low29.9Very low225 Ų225138 Ų13885%0.84977%0.769SS**  trans72.3118.6147.8-80176.1173.9165.9-0.5124
258A30.6Very low29.6Very low98 Ų98138.4 Ų138.481%0.8178%0.776SS**  64.8148.6119.500000121.4
259A32.3Very low30.8Very low89 Ų89134.3 Ų134.374%0.73677%0.766SS**  cis-171.4-170.2-13.900000110.2
260S28.8Very low30.6Very low99 Ų99130.8 Ų130.869%0.69276%0.764SS**  trans83117.3166.1-64.60000116.8
261R27.6Very low30.7Very low227 Ų227131.2 Ų131.286%0.85777%0.77SS**  71.413688.1-67.9166.1170.9-117.60.4112.1
262L33.2Very low30.8Very low152 Ų152130.7 Ų130.780%0.79678%0.775SS**  cis-133.7159.919.3-59.5156.9000109.6
263A28.1Very low30.7Very low82 Ų82125.1 Ų125.168%0.67877%0.769SS**  cis90.49516.800000117.5
264A30.3Very low30.9Very low99 Ų99125.3 Ų125.382%0.81877%0.77SS**  trans65.2160.9158.100000117.9
265S29.1Very low31.1Very low110 Ų110124.4 Ų124.477%0.76977%0.77SS**  cis-140.9177.110.7-55.40000109.8
266T27.3Very low31.3Very low123 Ų123125.7 Ų125.776%0.75578%0.775SS**  cis-151.3148.42450.60000114.1
267S31.1Very low31.6Very low111 Ų111125.3 Ų125.378%0.77677%0.773SS**  trans54.6119.7141.164.90000124
268D28.4Very low31.7Very low150 Ų150126 Ų12680%0.80278%0.775SS**  trans-52.2-177.6141.7-122.5-20.8000113.4
269P55.6Low32.2Very low110 Ų110129.9 Ų129.971%0.71478%0.777SS**  cis-138.3-172.8-11.337.2-16.6000116
270A27.1Very low32.3Very low84 Ų84130.2 Ų130.269%0.69478%0.779SS**  trans119.7117.8136.400000120.1
271L33.3Very low32.6Very low148 Ų148130.9 Ų130.978%0.77578%0.784SS**  36.4141.8126.5-46.1-175.9000120.5
272Q31.8Very low33.9Very low160 Ų160125.8 Ų125.875%0.74878%0.781SS**  cis-167.2177.8-2.3-122.8169.3-700111.6
273S28.3Very low34.4Very low101 Ų101124.5 Ų124.571%0.70678%0.781SS**  trans66.1114.2152.164.30000121.9
274S30.1Very low35Very low117 Ų117126.2 Ų126.282%0.81878%0.783SS**  trans44.3126.1132.264.20000122.7
275A30.6Very low35.9Very low105 Ų105130.5 Ų130.587%0.86879%0.786SS**  -155.5159.412300000111.2
276A33.9Very low37Very low95 Ų95135.5 Ų135.579%0.78579%0.788SS**  trans-83.1157.2-174.300000114.6
277N34.4Very low38.3Very low147 Ų147135.5 Ų135.579%0.78679%0.791SS**  trans27115.6141.6-169.26.4000118.6
278R33.7Very low39.2Very low239 Ų239136.8 Ų136.890%0.90279%0.793SS**  trans-146.5124.7156.4-160.1168-169143.23.8113
279E40.8Very low40.6Very low179 Ų179137 Ų13784%0.83679%0.789SS**  trans-52.3135172.4-152.197.6145.100112.8
280A35.3Very low40.8Very low96 Ų96142.9 Ų142.979%0.79380%0.797SS**  trans-156.2137.4167.700000112.4
281S34.9Very low41.8Very low113 Ų113146.7 Ų146.779%0.7980%0.798SS**PPolyproline II helixtrans-68.3159.2-175.4-53.90000114.8
282P53.9Low42.6Very low121 Ų121144.4 Ų144.479%0.78679%0.794SS**PPolyproline II helixtrans-59.5152.7167.826-35.5000112.6
283P44.2Very low43.1Very low124 Ų124147.5 Ų147.581%0.80580%0.801SS**PPolyproline II helixtrans-76.9154.5-167.530.4-36.5000114.8E285P283-E285 PolarHBondContact O-N 2.9Å
284V41.2Very low44Very low119 Ų119148.1 Ų148.172%0.72181%0.805SS**PPolyproline II helixtrans-63.8122.9-179.7166.30000113.2
285E49.2Very low44.7Very low188 Ų188150.1 Ų150.188%0.87981%0.806SS**PPolyproline II helixtrans-66.4137.5159.6-69.5-166.1128.600110.8P283P283-E285 PolarHBondContact O-N 2.9Å
286R52.1Low45.2Very low215 Ų215149.3 Ų149.381%0.81180%0.799SS**PPolyproline II helixtrans-101.3153.1175.5-70.6-173.1177.386.3-4.5111.1V288R286-V288 PolarHBondContact O-N 2.94Å
287P54.9Low45.8Very low124 Ų124156 Ų15681%0.80580%0.804SS**PPolyproline II helixtrans-74.2129.9-158.8-18.232.7000114
288V50.1Low46.5Very low138 Ų138160.3 Ų160.384%0.83681%0.809SS**PPolyproline II helixtrans-75.7131.5156.1-78.40000109.7R286R286-V288 PolarHBondContact O-N 2.94Å
289E56.8Low47Very low153 Ų153155.5 Ų155.572%0.71581%0.807SS**PPolyproline II helixtrans-71.5132.5-170.2-64.2-167.7162.300113.7K291E289-K291 PolarHBondContact O-N 3.31Å; E289-K291 IonicContact OE2-NZ 3.72Å; E289-K291 PolarHBondContact OE2-NZ 3.13Å
290R60.8Low47.1Very low235 Ų235157.5 Ų157.589%0.88781%0.807SS**  trans-75.4101.6-170.6-70149.848.8-170.3-4.2114
291K48.1Very low47.3Very low164 Ų164158.1 Ų158.171%0.71381%0.805SS**  trans-152.7116.4174.4-52.4168.8-170.4142.60110.6E289E289-K291 PolarHBondContact O-N 3.31Å; E289-K291 IonicContact OE2-NZ 3.72Å; E289-K291 PolarHBondContact OE2-NZ 3.13Å
292S49.7Very low47.9Very low99 Ų99162.5 Ų162.569%0.69280%0.804SS**  cis-169.1145.8-27.9-104.80000110.6
293Y42.8Very low47.4Very low225 Ų225162.9 Ų162.988%0.88281%0.807SS**  trans64.2155.7-179.4-63.7-80.7000116.1
294S46.7Very low47.2Very low114 Ų114162.2 Ų162.280%0.79781%0.805SS**  cis-126.7141.49-72.50000113.4A296S294-A296 PolarHBondContact O-N 3.04Å
295L43.6Very low46.9Very low160 Ų160163.9 Ų163.984%0.83881%0.81SS**  trans-80.2111172.7-172.679.8000110.4R297L295-R297 PolarHBondContact O-N 3.29Å
296A42.4Very low46.6Very low87 Ų87163 Ų16372%0.71981%0.81SS**  trans-63116.6168.900000109.9S294 R298S294-A296 PolarHBondContact O-N 3.04Å; A296-R298 PolarHBondContact O-N 3.37Å
297R45.6Very low45.7Very low236 Ų236155.6 Ų155.689%0.89180%0.801SS**  trans-69.498.6175.1-75.4-171176.2-165.7-0109.2L295 T299L295-R297 PolarHBondContact O-N 3.29Å; R297-T299 PolarHBondContact O-N 3.04Å
298R49.8Very low44.8Very low237 Ų237155.1 Ų155.189%0.89480%0.801SS**  trans-53.4121.2171.4-71.8-175.8174.4-169.4-2.9109.8A296 R300A296-R298 PolarHBondContact O-N 3.37Å; R298-R300 PolarHBondContact O-N 3.1Å
299T44.4Very low44.6Very low138 Ų138158.2 Ų158.285%0.84780%0.803SS**  trans-61.3118.7163.936.70000108.4R297R297-T299 PolarHBondContact O-N 3.04Å
300R42.9Very low43.5Very low222 Ų222160.1 Ų160.184%0.83881%0.812SS**  trans-101.479.5175.9-169.4-177.9-175.2-178.23.2109.5R298R298-R300 PolarHBondContact O-N 3.1Å
301S39.1Very low42.1Very low108 Ų108153.8 Ų153.876%0.75581%0.81SS**  trans-57142.4158.644.20000109.2
302R47.9Very low41.6Very low205 Ų205151.6 Ų151.677%0.77482%0.815SS**  trans-116.4119.7169-64.3175.372.3169.42.1105.9
303P42.5Very low41.5Very low129 Ų129153 Ų15384%0.83882%0.819SS**  trans-65.2133.9159.929.3-31.5000107.5
304S40.6Very low41.5Very low110 Ų110150.7 Ų150.777%0.76982%0.816SS**  trans-96.3126.7173.8-69.70000109.4L306S304-L306 PolarHBondContact O-N 3.4Å
305D35.5Very low40.8Very low154 Ų154154.3 Ų154.382%0.82482%0.821SS**  trans-29.3125.5166.7-104.7-83.4000114.9
306L41.4Very low40.7Very low169 Ų169152.3 Ų152.389%0.88582%0.82SS**  trans-114.659.8162.1-75.4178.9000110.2S304 S308S304-L306 PolarHBondContact O-N 3.4Å; L306-S308 VanDerWaalsContact C-N 3.27Å; L306-S308 PolarHBondContact O-N 2.91Å; L306-S308 VanDerWaalsContact O-N 3.12Å
307G34.6Very low40.3Very low61 Ų61153.1 Ų153.163%0.62983%0.827SS**  trans-81.557.517400000113.7K309G307-K309 PolarHBondContact O-N 3.35Å; G307-K309 VanDerWaalsContact O-N 3.13Å
308S36Very low39.8Very low114 Ų114146.5 Ų146.580%0.79782%0.823SS**  trans-72.8100.7174.156.20000110.5L306L306-S308 VanDerWaalsContact C-N 3.27Å; L306-S308 PolarHBondContact O-N 2.91Å; L306-S308 VanDerWaalsContact O-N 3.12Å
309K45.2Very low38.8Very low202 Ų202139.4 Ų139.488%0.87882%0.823SS**  trans-66.9144.6179.4-69.2-171.8175.9-173.80112.1G307G307-K309 PolarHBondContact O-N 3.35Å; G307-K309 VanDerWaalsContact O-N 3.13Å
310Q33Very low38.1Very low193 Ų193136.1 Ų136.190%0.90282%0.817SS**  trans-59.7147.5169.2-62.4150.5-92.100111.1
311A32.6Very low37.4Very low102 Ų102133.3 Ų133.384%0.84382%0.819SS**  trans-130.5124.8161.900000107.9
312S38Very low37.1Very low119 Ų119133.3 Ų133.383%0.83282%0.819SS**  trans-160.199.7-175.4176.70000110.7
313V46.8Very low36.3Very low127 Ų127129.3 Ų129.377%0.7782%0.822SS**  trans-175.9112.8162.51340000103
314E43.9Very low35.8Very low177 Ų177129 Ų12983%0.82782%0.823SS**  82.7106.664.8-174.5-179.7-174.300112.7
315E32.1Very low36.1Very low190 Ų190129.8 Ų129.889%0.88883%0.825SS**  trans-162.9163.8133.2-167.7152.387.600108.3
316S39.8Very low35.7Very low118 Ų118127 Ų12783%0.82582%0.818SS**  trans-151.7130.1-173-71.40000114.7
317A34.8Very low35.2Very low104 Ų104124.4 Ų124.486%0.8681%0.814SS**  trans-169158.1158.300000111.6
318A34.8Very low35Very low97 Ų97125.4 Ų125.480%0.80282%0.824SS**  cis-170.6126.6-37.500000109.9
319G29Very low34.7Very low88 Ų88123.8 Ų123.891%0.90783%0.826SS**  trans73.1153175.300000115.4
320G29.1Very low34Very low69 Ų69117.5 Ų117.571%0.71182%0.818SS**  cis-177164-4.300000108.1
321N29.9Very low34.3Very low164 Ų164118.5 Ų118.588%0.87782%0.819SS**  cis-142.8174.85.8-99.416000111.3
322S32.4Very low34.2Very low108 Ų108117 Ų11776%0.75581%0.814SS**  trans-56.8142.7-176.453.40000118.4
323S29.5Very low33.9Very low121 Ų121123.9 Ų123.985%0.84682%0.822SS**  -164.1129.9124.9-80.60000112.4
324S32.3Very low33.5Very low121 Ų121124.7 Ų124.785%0.84683%0.827SS**  trans-153.8156.5174.8-81.70000106.7
325P46.8Very low32.9Very low127 Ų127120.4 Ų120.483%0.82583%0.831SS**  cis-122.6-164.725.243.1-26.5000112
326S28.2Very low32.8Very low97 Ų97115.1 Ų115.168%0.67883%0.827SS**  cis-158.2164.318.658.70000114.3
327S30.6Very low32.5Very low114 Ų114115.3 Ų115.380%0.79783%0.828SS**  trans39.9135.3149.763.90000122.3
328G30.1Very low32.5Very low81 Ų81114.5 Ų114.584%0.83582%0.817SS**  trans132.9111.7136.900000115.7
329G29.6Very low32.3Very low81 Ų81119.2 Ų119.284%0.83582%0.822SS**  trans-86167-174.700000117
330G31.6Very low32.4Very low70 Ų70118.8 Ų118.872%0.72282%0.817SS**  trans88.3104.2131.200000119.4
331K39.1Very low32.5Very low213 Ų213118.9 Ų118.993%0.92682%0.819SS**  trans47.3132.7143.474.2178.4-166.2-60.90120.4
332G30.3Very low32.8Very low71 Ų71116.2 Ų116.273%0.73281%0.813SS**  trans161.8102157.100000114.8
333W32.2Very low33Very low263 Ų263119.8 Ų119.8100%0.99682%0.817SS**  trans-113.599.6159.4-90.394000108.8
334T36.9Very low33.1Very low144 Ų144120.4 Ų120.488%0.88382%0.816SS**  trans-154.5106.8164.37.80000108.5
335G31.4Very low33.4Very low88 Ų88118.8 Ų118.891%0.90781%0.81SS**  trans-97.8124.4171.800000110.1
336G31.5Very low33Very low78 Ų78119.3 Ų119.380%0.80481%0.811SS**  trans173.493.7-179.200000111.5
337S33.2Very low33.8Very low122 Ų122118.4 Ų118.485%0.85382%0.818SS**  trans-62.6160.7170.6-138.40000110.3
338S33.5Very low34.7Very low87 Ų87117.2 Ų117.261%0.60882%0.823SS**  cis-163158.727.948.10000113.3
339E32Very low35.5Very low197 Ų197115.1 Ų115.192%0.92180%0.801SS**  trans59.3138.1162.3-63.8179.1118.900118.9
340G30.5Very low36.6Very low78 Ų78114.4 Ų114.480%0.80479%0.794SS**  cis175.5105-6.800000113.5
341G30.5Very low37.9Very low72 Ų72117.1 Ų117.174%0.74280%0.797SS**  trans75.9166.2174.500000115.6
342S36.2Very low39.1Very low107 Ų107109.5 Ų109.575%0.74877%0.773SS**  cis-165.1133.5-12.3-88.40000109.9
343Q37.7Very low41Very low183 Ų183112.7 Ų112.786%0.85577%0.769SS**  trans67149165.8-56.5164.620.400114.7
344T32Very low43.3Very low134 Ų134105.4 Ų105.482%0.82275%0.749SS**  cis-147.8-175.41.7-110000110.7
345A38.6Very low45.3Very low87 Ų87103.8 Ų103.872%0.71974%0.735SS**  trans-50.6160.2172.200000113.5
346T36.4Very low47.8Very low138 Ų138106.3 Ų106.385%0.84772%0.723SS**  cis-158.915846.5-47.90000112
347G45.2Very low50.1Low79 Ų79108.8 Ų108.881%0.81471%0.714SS**  trans-80.4147178.500000114.3
348G49.3Very low52.3Low88 Ų88106.2 Ų106.291%0.90769%0.693SS**  trans13079.9175.200000112.8
349G48.3Very low54.4Low37 Ų37104.8 Ų104.838%0.38169%0.686SS.*  trans-142.7-14-171.200000118.2V351 A352 E353G349-V351 PolarHBondContact O-N 3.03Å; G349-A352 PolarHBondContact O-N 3.01Å; G349-E353 PolarHBondContact O-N 3.34Å
350G52.6Low56.5Low66 Ų66104 Ų10468%0.6868%0.675SS**THydrogen-bonded Turntrans-63.2-9-165.300000117.9
351V59.6Low58.7Low128 Ų128105.1 Ų105.178%0.77666%0.662SS**THydrogen-bonded Turntrans-102.5-29.7169.6-65.20000112.9G349 D355G349-V351 PolarHBondContact O-N 3.03Å; V351-D355 PolarHBondContact O-N 3.32Å; V351-D355 VanDerWaalsContact O-N 3.13Å
352A63.1Low60.7Low53 Ų53105.6 Ų105.644%0.43865%0.647SS.*Hα-helixtrans-78.9-32.5178.200000112.1G349 D355 Q356G349-A352 PolarHBondContact O-N 3.01Å; A352-D355 PolarHBondContact O-N 3.43Å; A352-Q356 WeakPolarHBondContact O-CG 3.47Å; A352-Q356 PolarHBondContact O-N 3.46Å
353E71.1Confident62.3Low138 Ų138106.2 Ų106.265%0.64564%0.641SS**Hα-helixtrans-63.5-43.1171.5-172.4171-164.500110.8G349 Q356 E357G349-E353 PolarHBondContact O-N 3.34Å; E353-Q356 PolarHBondContact O-N 3.49Å; E353-E357 PolarHBondContact O-N 3.41Å
354L78.9Confident63.7Low109 Ų109101.1 Ų101.157%0.57162%0.623SS**Hα-helixtrans-65.6-40.3175.9-163.677.2000112.3E357 V358L354-E357 PolarHBondContact O-N 2.81Å; L354-V358 WeakPolarHBondContact O-CG2 3.4Å; L354-V358 PolarHBondContact O-N 3.42Å
355D79.9Confident64.8Low110 Ų110102.9 Ų102.959%0.58861%0.614SS**Hα-helixtrans-65.2-39.4174.9-171.560.9000111.9V351 A352 V358 A359V351-D355 PolarHBondContact O-N 3.32Å; V351-D355 VanDerWaalsContact O-N 3.13Å; A352-D355 PolarHBondContact O-N 3.43Å; D355-V358 PolarHBondContact O-N 2.91Å; D355-A359 WeakPolarHBondContact O-CB 3.49Å; D355-A359 PolarHBondContact O-N 3.46Å
356Q84Confident65.5Low142 Ų142104.3 Ų104.366%0.66461%0.606SS**Hα-helixtrans-64.5-37.9172.2-74-176.924.200112.7A352 E353 A359 R360A352-Q356 WeakPolarHBondContact O-CG 3.47Å; A352-Q356 PolarHBondContact O-N 3.46Å; E353-Q356 PolarHBondContact O-N 3.49Å; Q356-A359 PolarHBondContact O-N 2.8Å; Q356-R360 VanDerWaalsContact O-CB 3.23Å; Q356-R360 WeakPolarHBondContact O-CB 3.21Å; Q356-R360 PolarHBondContact O-N 3.22Å
357E79.9Confident66.3Low129 Ų129103 Ų10360%0.60360%0.598SS**Hα-helixtrans-63.3-41.4170.9-73.8-149.4124.400112.1E353 L354 R360 L361E353-E357 PolarHBondContact O-N 3.41Å; L354-E357 PolarHBondContact O-N 2.81Å; E357-R360 PolarHBondContact O-N 2.94Å; E357-L361 VanDerWaalsContact O-CB 3.23Å; E357-L361 WeakPolarHBondContact O-CB 3.42Å; E357-L361 PolarHBondContact O-N 3.48Å
358V79.5Confident66.7Low69 Ų69110.4 Ų110.442%0.41860%0.601SS.*Hα-helixtrans-67.2-38.7176.5169.90000111.9L354 D355 L361 N362L354-V358 WeakPolarHBondContact O-CG2 3.4Å; L354-V358 PolarHBondContact O-N 3.42Å; D355-V358 PolarHBondContact O-N 2.91Å; V358-L361 PolarHBondContact O-N 3.22Å; V358-N362 WeakPolarHBondContact O-CB 3.36Å; V358-N362 PolarHBondContact O-N 3.28Å; V358-N362 PolarHBondContact O-ND2 2.97Å
359A77.5Confident66.9Low56 Ų56110.2 Ų110.246%0.46359%0.587SS.*Hα-helixtrans-64.4-45.5173.800000111.4D355 Q356 L361 N362 L363D355-A359 WeakPolarHBondContact O-CB 3.49Å; D355-A359 PolarHBondContact O-N 3.46Å; Q356-A359 PolarHBondContact O-N 2.8Å; A359-L361 PolarHBondContact O-N 3.19Å; A359-N362 PolarHBondContact O-N 2.99Å; A359-L363 PolarHBondContact O-N 2.91Å
360R76.7Confident66.5Low181 Ų181116.3 Ų116.368%0.68361%0.605SS**Hα-helixtrans-61.5-41.4174176.7176.6162.976.91.9112Q356 E357 L363 V364Q356-R360 VanDerWaalsContact O-CB 3.23Å; Q356-R360 WeakPolarHBondContact O-CB 3.21Å; Q356-R360 PolarHBondContact O-N 3.22Å; E357-R360 PolarHBondContact O-N 2.94Å; R360-L363 PolarHBondContact O-N 3.42Å; R360-V364 WeakPolarHBondContact O-CG2 3.37Å; R360-V364 PolarHBondContact O-N 3.36Å
361L76.3Confident65.6Low101 Ų101118.3 Ų118.353%0.52961%0.609SS.*Hα-helixtrans-66.9-36.6176.6-175.963000112E357 V358 A359 V364 R365E357-L361 VanDerWaalsContact O-CB 3.23Å; E357-L361 WeakPolarHBondContact O-CB 3.42Å; E357-L361 PolarHBondContact O-N 3.48Å; V358-L361 PolarHBondContact O-N 3.22Å; A359-L361 PolarHBondContact O-N 3.19Å; L361-V364 PolarHBondContact O-N 3.28Å; L361-R365 WeakPolarHBondContact O-CG 3.1Å; L361-R365 PolarHBondContact O-N 3.34Å
362N72Confident64.9Low83 Ų83117.5 Ų117.544%0.44461%0.606SS.*Hα-helixtrans-65.6-42.5172.2-87.1-61.5000112.1V358 A359 V364 R365 Q366V358-N362 WeakPolarHBondContact O-CB 3.36Å; V358-N362 PolarHBondContact O-N 3.28Å; V358-N362 PolarHBondContact O-ND2 2.97Å; A359-N362 PolarHBondContact O-N 2.99Å; N362-V364 VanDerWaalsContact C-N 3.31Å; N362-V364 PolarHBondContact O-N 3.46Å; N362-R365 WeakPolarHBondContact O-CB 3.42Å; N362-R365 PolarHBondContact O-N 3.11Å; N362-R365 VanDerWaalsContact O-N 3.12Å; N362-Q366 PolarHBondContact O-N 3.17Å
363L70.2Confident63.9Low119 Ų119120.9 Ų120.962%0.62362%0.621SS**Hα-helixtrans-61.7-40.4175.6-170.463.9000111.6A359 R360 Q366 T367A359-L363 PolarHBondContact O-N 2.91Å; R360-L363 PolarHBondContact O-N 3.42Å; L363-Q366 PolarHBondContact O-N 3.39Å; L363-T367 PolarHBondContact O-N 2.85Å
364V66.2Low62.6Low76 Ų76119.9 Ų119.946%0.46163%0.629SS.*Hα-helixtrans-67.6-31.8173.3171.50000112.5R360 L361 N362 T367R360-V364 WeakPolarHBondContact O-CG2 3.37Å; R360-V364 PolarHBondContact O-N 3.36Å; L361-V364 PolarHBondContact O-N 3.28Å; N362-V364 VanDerWaalsContact C-N 3.31Å; N362-V364 PolarHBondContact O-N 3.46Å; V364-T367 PolarHBondContact O-OG1 3.39Å
365R56.2Low60.8Low171 Ų171124.8 Ų124.865%0.64564%0.642SS**Hα-helixtrans-67.5-37.9171.8-80.9-178.5173.3-87.31.2112.3L361 N362 T367 W368L361-R365 WeakPolarHBondContact O-CG 3.1Å; L361-R365 PolarHBondContact O-N 3.34Å; N362-R365 WeakPolarHBondContact O-CB 3.42Å; N362-R365 PolarHBondContact O-N 3.11Å; N362-R365 VanDerWaalsContact O-N 3.12Å; R365-T367 VanDerWaalsContact C-N 3.31Å; R365-T367 PolarHBondContact O-N 2.75Å; R365-W368 PolarHBondContact O-N 3.46Å; R365-W368 VanDerWaalsContact O-N 3.15Å
366Q53.5Low58.9Low117 Ų117126.3 Ų126.355%0.54766%0.655SS.*Hα-helixtrans-66.4-29.2-179-71.5-168.426.200113.5N362 L363 W368 S369N362-Q366 PolarHBondContact O-N 3.17Å; L363-Q366 PolarHBondContact O-N 3.39Å; Q366-W368 PolarHBondContact O-N 3.3Å; Q366-S369 PolarHBondContact O-N 3.14Å; Q366-S369 VanDerWaalsContact O-N 3.13Å; Q366-S369 PolarHBondContact O-OG 3.48Å
367T53.3Low56.6Low110 Ų110128.7 Ų128.768%0.67566%0.658SS**THydrogen-bonded Turntrans-69-18175.1630000113.4L363 V364 R365L363-T367 PolarHBondContact O-N 2.85Å; V364-T367 PolarHBondContact O-OG1 3.39Å; R365-T367 VanDerWaalsContact C-N 3.31Å; R365-T367 PolarHBondContact O-N 2.75Å
368W52.4Low55.1Low235 Ų235128.7 Ų128.789%0.8967%0.672SS**THydrogen-bonded Turntrans-92.9-0.3173-81.679.5000113.9R365 Q366R365-W368 PolarHBondContact O-N 3.46Å; R365-W368 VanDerWaalsContact O-N 3.15Å; Q366-W368 PolarHBondContact O-N 3.3Å
369S53.5Low53.8Low85 Ų85131.4 Ų131.459%0.59468%0.68SS**SBendtrans-130.447.4-175.571.90000113.8Q366Q366-S369 PolarHBondContact O-N 3.14Å; Q366-S369 VanDerWaalsContact O-N 3.13Å; Q366-S369 PolarHBondContact O-OG 3.48Å
370Q40.2Very low52.2Low165 Ų165137.3 Ų137.377%0.77170%0.7SS**  trans-128.2102.5163-70.4-161.324.400112
371S33.7Very low50.8Low108 Ų108140.3 Ų140.376%0.75571%0.712SS**  trans-140.183.7164.748.30000109.5T373S371-T373 PolarHBondContact O-N 2.99Å
372P44.7Very low49Very low110 Ų110138.7 Ų138.771%0.71472%0.719SS**  trans-64.8132.3176.527.4-33.5000110.3S374P372-S374 PolarHBondContact O-N 3.3Å
373T43.2Very low47.5Very low124 Ų124143 Ų14376%0.76174%0.741SS**  trans-7788.3-176.644.30000111.8S371 Y375S371-T373 PolarHBondContact O-N 2.99Å; T373-Y375 VanDerWaalsContact C-N 3.33Å; T373-Y375 PolarHBondContact O-N 3.12Å
374S42.8Very low46.5Very low117 Ų117142.7 Ų142.782%0.81875%0.746SS**  trans-69.679.6177.5-58.30000113.4P372 V376P372-S374 PolarHBondContact O-N 3.3Å; S374-V376 PolarHBondContact O-N 3.15Å
375Y41.3Very low45.3Very low213 Ų213145.8 Ų145.884%0.83576%0.76SS**  trans-69.9116.1156.1-80.5-91.8000109.6T373T373-Y375 VanDerWaalsContact C-N 3.33Å; T373-Y375 PolarHBondContact O-N 3.12Å
376V40.1Very low45Very low141 Ų141142.9 Ų142.986%0.85576%0.763SS**  trans-173.4150.9147.6132.20000111.9S374S374-V376 PolarHBondContact O-N 3.15Å
377R35Very low44.5Very low193 Ų193144 Ų14473%0.72877%0.772SS**  trans67.293.5165.3-172.6157.5-89.8-179.2-5.7118.2E379R377-E379 HydrophobicContact CG-CG 3.79Å; R377-E379 IonicContact CZ-OE1 2.7Å; R377-E379 IonicContact NE-OE1 3.75Å; R377-E379 PolarHBondContact NE-OE1 2.98Å; R377-E379 IonicContact NH2-OE1 2.67Å; R377-E379 PolarHBondContact NH2-OE1 2.91Å
378S48.1Very low43.9Very low129 Ų129147 Ų14790%0.90278%0.778SS**  trans-112.764.2165.9172.60000110.8
379E52.8Low43.3Very low126 Ų126144 Ų14459%0.58978%0.776SS**  trans-159.364.4-171.150.2170.3-161.500114.6R377R377-E379 HydrophobicContact CG-CG 3.79Å; R377-E379 IonicContact CZ-OE1 2.7Å; R377-E379 IonicContact NE-OE1 3.75Å; R377-E379 PolarHBondContact NE-OE1 2.98Å; R377-E379 IonicContact NH2-OE1 2.67Å; R377-E379 PolarHBondContact NH2-OE1 2.91Å
380M43.8Very low42.7Very low179 Ų179144.8 Ų144.888%0.88279%0.787SS**  trans-141.2120.5153.9-81.1-55.4-66.200110.2
381R46.6Very low42.8Very low245 Ų245141.1 Ų141.193%0.92579%0.793SS**  trans-82.8143.2168.9-68.5175.9172177.7-3.1109.3
382G39.2Very low43.5Very low66 Ų66138.9 Ų138.968%0.6879%0.788SS**  trans155.194.5156.700000117.5
383L40.5Very low43.8Very low174 Ų174139 Ų13991%0.91179%0.788SS**  trans71.4159.7155.3-53-178.8000117.5
384P48.3Very low44.3Very low112 Ų112137.4 Ų137.473%0.72778%0.78SS**  trans-110.7146.1-153.138.7-30.9000115.9
385N41.5Very low44.6Very low141 Ų141140.8 Ų140.875%0.75478%0.783SS**  trans-80.5133.7165.3-78-1.5000111.3
386P51.3Low44.6Very low110 Ų110140 Ų14071%0.71478%0.78SS**  trans-80.3136.2168.332-32.4000112
387I41.8Very low44.9Very low141 Ų141138.9 Ų138.972%0.72378%0.778SS**  trans52.579.7156.3-43.3175.8000116M389I387-M389 HydrophobicContact CG2-CE 4.41Å; I387-M389 HydrophobicContact CG2-CG 4.17Å; I387-M389 PolarHBondContact O-N 3.33Å
388H40.4Very low45.3Very low174 Ų174135.9 Ų135.981%0.80678%0.777SS**  trans-76.4112.1146.8-92.4-93.2000109A390H388-A390 PolarHBondContact O-N 2.85Å; H388-A390 VanDerWaalsContact O-N 3.08Å
389M39.7Very low45.6Very low172 Ų172135.9 Ų135.985%0.84776%0.764SS**  trans-67.4102.7168.5-82.6-68.8-172.400109.8I387 G391I387-M389 HydrophobicContact CG2-CE 4.41Å; I387-M389 HydrophobicContact CG2-CG 4.17Å; I387-M389 PolarHBondContact O-N 3.33Å; M389-G391 PolarHBondContact O-N 2.96Å; M389-G391 VanDerWaalsContact O-N 3.1Å
390A42.5Very low45.8Very low100 Ų100136.3 Ų136.383%0.82677%0.766SS**  trans-7595.9174.700000110.2H388 G392H388-A390 PolarHBondContact O-N 2.85Å; H388-A390 VanDerWaalsContact O-N 3.08Å; A390-G392 PolarHBondContact O-N 3.44Å
391G42.4Very low46.1Very low88 Ų88136 Ų13691%0.90776%0.763SS**  trans-64.8115.917400000111.5M389M389-G391 PolarHBondContact O-N 2.96Å; M389-G391 VanDerWaalsContact O-N 3.1Å
392G46.8Very low46.1Very low62 Ų62132 Ų13264%0.63976%0.756SS**  trans-132.8137.5171.900000110.4A390A390-G392 PolarHBondContact O-N 3.44Å
393P51.9Low46.8Very low112 Ų112133.2 Ų133.273%0.72775%0.754SS**  trans-66.6152.8176.728.8-34.7000111.1Q395P393-Q395 PolarHBondContact O-N 2.92Å
394P53.2Low47.3Very low90 Ų90131.5 Ų131.558%0.58475%0.75SS**  trans-60.6133.5-17724.7-34.2000111.8Y396P394-Y396 HydrophobicContact CG-CE2 4.13Å; P394-Y396 WeakPolarHBondContact O-CD2 3.45Å; P394-Y396 PolarHBondContact O-N 3.3Å
395Q49.9Very low47Very low188 Ų188129.1 Ų129.188%0.87975%0.747SS**  trans-7296.1175.9-68.3-74.6-66.100109.9P393P393-Q395 PolarHBondContact O-N 2.92Å
396Y41.3Very low47.5Very low198 Ų198127.9 Ų127.978%0.77675%0.749SS**PPolyproline II helixtrans-67.3137.4167.7-60.3-78.6000110.1P394P394-Y396 HydrophobicContact CG-CE2 4.13Å; P394-Y396 WeakPolarHBondContact O-CD2 3.45Å; P394-Y396 PolarHBondContact O-N 3.3Å
397S46.7Very low47.5Very low116 Ų116130 Ų13081%0.81175%0.754SS**PPolyproline II helixtrans-59.9138.9-179.8-63.50000112.3M399S397-M399 PolarHBondContact O-N 3.4Å
398N43.5Very low47.7Very low131 Ų131134.1 Ų134.170%0.70176%0.761SS**PPolyproline II helixtrans-46.5125.3178.4-167.2-93.4000112.3E400N398-E400 PolarHBondContact ND2-OE2 3.21Å
399M53.8Low48Very low128 Ų128130.6 Ų130.663%0.63176%0.762SS**  trans-117.2-4.2-175.3-164.1163.363.500113S397 E401 M402S397-M399 PolarHBondContact O-N 3.4Å; M399-E401 PolarHBondContact O-N 3.14Å; M399-E401 VanDerWaalsContact O-N 3.12Å; M399-M402 HydrophobicContact CG-CE 3.82Å; M399-M402 HydrophobicContact CG-CG 4.22Å; M399-M402 HydrophobicContact CG-SD 3.66Å; M399-M402 PolarHBondContact O-N 3.4Å; M399-M402 HydrophobicContact SD-CE 4.31Å; M399-M402 HydrophobicContact SD-SD 4.15Å
400E57.5Low48.6Very low135 Ų135130.6 Ų130.663%0.63176%0.757SS**G310 helixtrans-52.5-31.3178.6-86.356.5-138.600114.5N398 M402 S403N398-E400 PolarHBondContact ND2-OE2 3.21Å; E400-M402 PolarHBondContact O-N 3.29Å; E400-M402 VanDerWaalsContact O-N 3.1Å; E400-S403 PolarHBondContact O-N 2.92Å; E400-S403 VanDerWaalsContact O-N 3.11Å
401E49.4Very low48.9Very low174 Ų174137.6 Ų137.681%0.81376%0.762SS**G310 helixtrans-61.6-21.6-178.2-164.3171.5158.600112.9M399 S403M399-E401 PolarHBondContact O-N 3.14Å; M399-E401 VanDerWaalsContact O-N 3.12Å; E401-S403 PolarHBondContact O-N 3.41Å
402M46.6Very low48.8Very low160 Ų160144.1 Ų144.179%0.78876%0.761SS**G310 helixtrans-72.8-10.1178.2-56.8-171.5-172.300114.2M399 E400M399-M402 HydrophobicContact CG-CE 3.82Å; M399-M402 HydrophobicContact CG-CG 4.22Å; M399-M402 HydrophobicContact CG-SD 3.66Å; M399-M402 PolarHBondContact O-N 3.4Å; M399-M402 HydrophobicContact SD-CE 4.31Å; M399-M402 HydrophobicContact SD-SD 4.15Å; E400-M402 PolarHBondContact O-N 3.29Å; E400-M402 VanDerWaalsContact O-N 3.1Å
403S54.5Low49Very low92 Ų92144.9 Ų144.964%0.64376%0.756SS**G310 helixtrans-107.36.4-169-150.90000115.1E400 E401 G405E400-S403 PolarHBondContact O-N 2.92Å; E400-S403 VanDerWaalsContact O-N 3.11Å; E401-S403 PolarHBondContact O-N 3.41Å; S403-G405 PolarHBondContact O-N 3.12Å
404V50.6Low49.2Very low137 Ų137144.1 Ų144.183%0.8375%0.753SS**  trans-80.465.6-178.7-167.70000111.3
405G41.3Very low49.1Very low63 Ų63147.9 Ų147.965%0.64976%0.763SS**  trans-163.520.1-168.800000118.1S403 N407S403-G405 PolarHBondContact O-N 3.12Å; G405-N407 PolarHBondContact O-N 2.81Å
406S53.1Low49Very low114 Ų114150 Ų15080%0.79776%0.763SS**  trans-70.167.7-176.8-71.60000114.9
407N49.8Very low49.4Very low155 Ų155148.6 Ų148.683%0.82976%0.764SS**SBendtrans-139.1101.7166.8-93.7-59.3000110.6G405G405-N407 PolarHBondContact O-N 2.81Å
408R47.7Very low49.6Very low227 Ų227154.2 Ų154.286%0.85777%0.767SS**  trans54.970.4174.8-163.1-178-170.4170.14.6114.3K410R408-K410 PolarHBondContact O-N 2.93Å
409A46Very low50Low100 Ų100152.6 Ų152.683%0.82677%0.772SS**  trans-52.4107.6157.900000109.3R411A409-R411 PolarHBondContact O-N 3.07Å
410K51.6Low50.4Low172 Ų172152.8 Ų152.875%0.74878%0.78SS**  trans-66.2118169-71.4-175.9179-178.10106.4R408 Y412R408-K410 PolarHBondContact O-N 2.93Å; K410-Y412 PolarHBondContact O-N 3.38Å
411R48.3Very low50.5Low248 Ų248151.8 Ų151.894%0.93679%0.785SS**  trans-56106.6175.1-63.8177.3-175.6-107.42.4108A409 S413A409-R411 PolarHBondContact O-N 3.07Å; R411-S413 PolarHBondContact O-N 2.91Å
412Y41.5Very low51Low225 Ų225151.6 Ų151.688%0.88278%0.784SS**  trans-60.9134164.8-75.2-83.2000107.3K410 S414K410-Y412 PolarHBondContact O-N 3.38Å; Y412-S414 PolarHBondContact O-N 2.97Å
413S51Low51.5Low77 Ų77149.6 Ų149.654%0.53878%0.783SS.*  trans-61.7127.2-179.3-176.10000109.6R411 Q415R411-S413 PolarHBondContact O-N 2.91Å; S413-Q415 PolarHBondContact O-N 3.14Å; S413-Q415 VanDerWaalsContact O-N 3.1Å; S413-Q415 VanDerWaalsContact OG-CB 3.22Å; S413-Q415 WeakPolarHBondContact OG-CB 3.4Å; S413-Q415 PolarHBondContact OG-N 3.44Å
414S56.7Low51.6Low96 Ų96149.2 Ų149.267%0.67179%0.786SS**G310 helixtrans-60.7-16.6174.5460000112.7Y412 R416 Q417Y412-S414 PolarHBondContact O-N 2.97Å; S414-R416 PolarHBondContact O-N 2.99Å; S414-Q417 PolarHBondContact O-N 3.05Å
415Q50.8Low52.1Low170 Ų170147.6 Ų147.679%0.79478%0.778SS**G310 helixtrans-60.4-1.5178-158.3173.816.300115.2S413S413-Q415 PolarHBondContact O-N 3.14Å; S413-Q415 VanDerWaalsContact O-N 3.1Å; S413-Q415 VanDerWaalsContact OG-CB 3.22Å; S413-Q415 WeakPolarHBondContact OG-CB 3.4Å; S413-Q415 PolarHBondContact OG-N 3.44Å
416R47.8Very low52.7Low232 Ų232150.6 Ų150.688%0.87579%0.786SS**G310 helixtrans-134.328.5170.3-65.5-166.3-178.3-79.33.1114.3S414 R418S414-R416 PolarHBondContact O-N 2.99Å; R416-R418 PolarHBondContact O-N 3.13Å
417Q49Very low52.6Low169 Ų169153.5 Ų153.579%0.7979%0.79SS**PPolyproline II helixtrans-72.1117.2157.3-71.3-168.2-23.100108.7S414S414-Q417 PolarHBondContact O-N 3.05Å
418R52.1Low52.4Low233 Ų233154.9 Ų154.988%0.87979%0.79SS**PPolyproline II helixtrans-69.1150.9163.3-69.5-176.7172.7-161.7-3.9108R416 V420R416-R418 PolarHBondContact O-N 3.13Å; R418-V420 PolarHBondContact O-N 3.13Å
419A51.1Low52.2Low98 Ų98151.6 Ų151.681%0.8179%0.789SS**PPolyproline II helixtrans-53.7130.7169.200000109.4
420V61.4Low52Low132 Ų132149.6 Ų149.680%0.878%0.778SS**PPolyproline II helixtrans-66133.5168.5-179.90000106.6R418 E422R418-V420 PolarHBondContact O-N 3.13Å; V420-E422 PolarHBondContact O-N 3.48Å
421P59.7Low51.8Low113 Ų113148.6 Ų148.673%0.73479%0.786SS**PPolyproline II helixtrans-54.7130.4173.1-24.934.7000110.1
422E60.3Low51.7Low170 Ų170145 Ų14579%0.79478%0.782SS**PPolyproline II helixtrans-56.6132.3175.3-173.9176.817500109.5V420 A424V420-E422 PolarHBondContact O-N 3.48Å; E422-A424 PolarHBondContact O-N 3.13Å
423P57.6Low51.9Low118 Ų118142 Ų14277%0.76678%0.776SS**  trans-65.2110.3173.727.4-32.4000108
424A56.3Low51.9Low84 Ų84144.8 Ų144.869%0.69479%0.792SS**  trans-52.7141.8-176.600000111.2E422E422-A424 PolarHBondContact O-N 3.13Å
425P60.2Low51.5Low104 Ų104143.1 Ų143.168%0.67579%0.79SS**  trans-56.9144.4-179.724.2-34.4000110.3M427P425-M427 PolarHBondContact O-N 3.3Å
426P54.8Low50.9Low126 Ų126143.7 Ų143.782%0.81879%0.793SS**  trans-61.2112.1-175.924.8-33.6000109.8H428P426-H428 PolarHBondContact O-N 3.1Å; P426-H428 VanDerWaalsContact O-N 3.09Å
427M51.2Low50.4Low175 Ų175143.3 Ų143.386%0.86279%0.793SS**  trans-54.5118174.1-74.2-65.9-66.700108.6P425 L429P425-M427 PolarHBondContact O-N 3.3Å; M427-L429 PolarHBondContact O-N 3.46Å
428H44.6Very low49.9Very low183 Ų183145.5 Ų145.585%0.84780%0.795SS**  trans-66.599.6-178.2-159.1-49.5000108.3P426 G430P426-H428 PolarHBondContact O-N 3.1Å; P426-H428 VanDerWaalsContact O-N 3.09Å; H428-G430 PolarHBondContact O-N 3.24Å
429L44.4Very low49.7Very low159 Ų159141.9 Ų141.983%0.83279%0.788SS**  trans-7095-177.1-163.974.5000108.3M427 V431M427-L429 PolarHBondContact O-N 3.46Å; L429-V431 PolarHBondContact O-N 2.9Å
430G42.7Very low49.8Very low57 Ų57142.6 Ų142.659%0.58879%0.785SS**  trans-60.3131.8176.500000109.9H428 M432H428-G430 PolarHBondContact O-N 3.24Å; G430-M432 PolarHBondContact O-N 3.39Å
431V46Very low49Very low151 Ų151143.5 Ų143.592%0.91578%0.782SS**  trans-72.381.8169.7-178.70000107.4L429L429-V431 PolarHBondContact O-N 2.9Å
432M46.9Very low48.5Very low172 Ų172142.9 Ų142.985%0.84778%0.781SS**  trans-77.4124.6171.7-168.383.489.300108.5G430G430-M432 PolarHBondContact O-N 3.39Å
433E46.2Very low47.6Very low163 Ų163145.9 Ų145.976%0.76279%0.786SS**  trans-65.8137.9-176.9-165.6170.3-160.400111.7G435E433-G435 PolarHBondContact O-N 3.41Å
434P50.6Low46.6Very low135 Ų135147 Ų14788%0.87778%0.781SS**SBendtrans-78.283.3-172.831.8-35.9000111.8
435G48.8Very low45.9Very low61 Ų61144.9 Ų144.963%0.62977%0.767SS**  trans-153.14.2-171.800000119.1E433E433-G435 PolarHBondContact O-N 3.41Å
436H36.9Very low45.6Very low183 Ų183146.5 Ų146.585%0.84778%0.778SS**  trans-117.2121-174.4-6892.8000113.7
437Y38.3Very low44.9Very low224 Ų224146.3 Ų146.388%0.87877%0.769SS**  trans-81.2148-172-136.5-111.8000111.6
438Y38.9Very low44.5Very low215 Ų215147.3 Ų147.384%0.84376%0.764SS**  trans6.7113163.5-99.1-96000119.3
439E48Very low44.5Very low156 Ų156145.4 Ų145.473%0.72977%0.765SS**  trans-138.2124.2146.3-171.4173.4-13300110.4M441E439-M441 HydrophobicContact CG-CE 4.47Å; E439-M441 PolarHBondContact O-N 2.82Å; E439-M441 VanDerWaalsContact O-N 3.14Å; E439-M441 VanDerWaalsContact OE2-CE 3.27Å; E439-M441 WeakPolarHBondContact OE2-CE 3.44Å
440P52.2Low44.5Very low114 Ų114146.5 Ų146.574%0.7477%0.766SS**  trans-8681.4-177.834.3-34.1000111.5S442P440-S442 PolarHBondContact O-N 2.9Å; P440-S442 VanDerWaalsContact O-N 3.14Å
441M44.4Very low44.5Very low150 Ų150147 Ų14774%0.73977%0.772SS**  trans-59.4116.5-178.7-158.860.758.900111.6E439E439-M441 HydrophobicContact CG-CE 4.47Å; E439-M441 PolarHBondContact O-N 2.82Å; E439-M441 VanDerWaalsContact O-N 3.14Å; E439-M441 VanDerWaalsContact OE2-CE 3.27Å; E439-M441 WeakPolarHBondContact OE2-CE 3.44Å
442S48.5Very low44.6Very low101 Ų101149.9 Ų149.971%0.70678%0.775SS**  trans-71.7133.7-168.955.50000113.4P440 Q444P440-S442 PolarHBondContact O-N 2.9Å; P440-S442 VanDerWaalsContact O-N 3.14Å; S442-Q444 PolarHBondContact O-N 3.06Å; S442-Q444 VanDerWaalsContact O-N 3.14Å
443Y42.3Very low44.5Very low232 Ų232144.3 Ų144.391%0.9176%0.762SS**  trans-63.1107.9179.4-172.4-88.4000112
444Q37.1Very low44.8Very low143 Ų143143 Ų14367%0.66877%0.768SS**  trans-124.9121.3173.8-171.563.223.400109.8S442 I447S442-Q444 PolarHBondContact O-N 3.06Å; S442-Q444 VanDerWaalsContact O-N 3.14Å; Q444-I447 HydrophobicContact CG-CD1 3.85Å; Q444-I447 HydrophobicContact CG-CG1 4.22Å
445G42.2Very low44.6Very low39 Ų39140.6 Ų140.640%0.40276%0.759SS.*  trans-67.4165.6175.700000112.6I447G445-I447 PolarHBondContact O-N 3Å
446P52.7Low44.6Very low138 Ų138143.5 Ų143.590%0.89677%0.767SS**  trans-59.7109-174.323.7-33.9000112.1
447I41.3Very low45.2Very low121 Ų121141.5 Ų141.562%0.62176%0.761SS**  trans-77.9143.9172.2-61.1175.5000108.8Q444 G445 T449Q444-I447 HydrophobicContact CG-CD1 3.85Å; Q444-I447 HydrophobicContact CG-CG1 4.22Å; G445-I447 PolarHBondContact O-N 3Å; I447-T449 PolarHBondContact O-N 3.05Å
448Y41.1Very low46Very low197 Ų197135.2 Ų135.277%0.77375%0.747SS**  trans-60.6121.6174.8-79.3-107.3000111.2H450Y448-H450 PolarHBondContact O-CD2 2.78Å; Y448-H450 PolarHBondContact O-N 3.19Å
449T45.8Very low46.7Very low142 Ų142131.2 Ų131.287%0.87175%0.748SS**  trans-78.498.7168.951.90000109.5I447 G451I447-T449 PolarHBondContact O-N 3.05Å; T449-G451 PolarHBondContact O-N 2.97Å
450H44.4Very low46.8Very low182 Ų182132.5 Ų132.584%0.84375%0.753SS**  trans-73.1102.2169.4-62-84.9000109.2Y448Y448-H450 PolarHBondContact O-CD2 2.78Å; Y448-H450 PolarHBondContact O-N 3.19Å
451G41.6Very low46.8Very low69 Ų69130 Ų13071%0.71175%0.748SS**  trans-119.8126.717500000110.6T449 G453T449-G451 PolarHBondContact O-N 2.97Å; G451-G453 PolarHBondContact O-N 2.93Å
452E48.3Very low46.7Very low211 Ų211131 Ų13199%0.98675%0.753SS**  trans-76109.9179.3-173.9175-169.600110.6
453G44.5Very low46.8Very low55 Ų55134.6 Ų134.657%0.56776%0.764SS**SBendtrans174.8144.517700000111.4G451 A455G451-G453 PolarHBondContact O-N 2.93Å; G453-A455 PolarHBondContact O-N 3.19Å
454P52.3Low47Very low136 Ų136129 Ų12988%0.88375%0.754SS**  trans-67.3116.9-176.326.4-33.5000111.2
455A46.4Very low47.5Very low83 Ų83130.5 Ų130.569%0.68676%0.76SS**  trans-65.9139.9-177.100000112.3G453 I457G453-A455 PolarHBondContact O-N 3.19Å; A455-I457 PolarHBondContact O-N 2.74Å; A455-I457 VanDerWaalsContact O-N 3.15Å
456P49.3Very low48.1Very low123 Ų123134 Ų13480%0.79978%0.776SS**  trans-66.4114.7173.327.4-33.2000110
457I49.1Very low48Very low141 Ų141134.6 Ų134.672%0.72377%0.767SS**  trans-61.8123.4179.1-65.5168.8000109.1A455A455-I457 PolarHBondContact O-N 2.74Å; A455-I457 VanDerWaalsContact O-N 3.15Å
458P55Low48.2Very low92 Ų92136.5 Ų136.560%0.59778%0.775SS**  trans-66141.2172.128.8-34000109.2Q460P458-Q460 PolarHBondContact O-N 2.82Å
459P53.6Low48.5Very low131 Ų131134.2 Ų134.285%0.85177%0.771SS**  trans-62.4102.9-175.424.2-33.8000111.2G461P459-G461 PolarHBondContact O-N 3.01Å; P459-G461 VanDerWaalsContact O-N 3.08Å
460Q50.9Low48.6Very low182 Ų182133.4 Ų133.485%0.8576%0.76SS**  trans-73.899.1179.8-65.8-174.5-100109.8P458P458-Q460 PolarHBondContact O-N 2.82Å
461G51.3Low48.8Very low61 Ų61130.5 Ų130.563%0.62976%0.758SS**  trans-150.814117600000112P459P459-G461 PolarHBondContact O-N 3.01Å; P459-G461 VanDerWaalsContact O-N 3.08Å
462M42.9Very low48.7Very low171 Ų171135.4 Ų135.484%0.84276%0.762SS**  trans68.330170-57-98.959.600117.6V464M462-V464 HydrophobicContact CE-CG2 3.74Å
463L51.3Low48.8Very low177 Ų177131.5 Ų131.593%0.92775%0.754SS**  trans-87.494.7146.5-86.3173.4000108.9Q465L463-Q465 PolarHBondContact O-N 3.08Å
464V46.7Very low48.4Very low116 Ų116132.1 Ų132.170%0.70376%0.761SS**  trans-78.8110.9170.5178.10000108.2M462M462-V464 HydrophobicContact CE-CG2 3.74Å
465Q47.1Very low47.5Very low173 Ų173132.6 Ų132.681%0.80876%0.755SS**  trans-68.4138.1162.9-71.8-172.3-8.700109.3L463 E467L463-Q465 PolarHBondContact O-N 3.08Å; Q465-E467 PolarHBondContact O-N 3.17Å
466P53.6Low47.1Very low113 Ų113136.7 Ų136.773%0.73476%0.76SS**  trans-69122.8162.629.5-31.3000108.7M468P466-M468 PolarHBondContact O-N 2.72Å; P466-M468 VanDerWaalsContact O-N 3.16Å
467E50.7Low47.2Very low150 Ų150135.3 Ų135.370%0.70175%0.751SS**  trans-67.3112.3-176.6-167.5174.5150.200111Q465 H469Q465-E467 PolarHBondContact O-N 3.17Å; E467-H469 PolarHBondContact O-CE1 3.29Å; E467-H469 PolarHBondContact O-N 3.34Å; E467-H469 VanDerWaalsContact O-N 3.15Å; E467-H469 PolarHBondContact O-ND1 3.16Å; E467-H469 VanDerWaalsContact O-ND1 3.12Å; E467-H469 IonicContact OE1-CD2 3.38Å; E467-H469 PolarHBondContact OE1-CD2 2.93Å; E467-H469 VanDerWaalsContact OE1-CD2 3.3Å; E467-H469 IonicContact OE1-NE2 3Å
468M45.3Very low46.5Very low162 Ų162136.3 Ų136.380%0.79875%0.752SS**  trans-84.180.5173.9-78.6-67.2-63.200109.3P466 I470P466-M468 PolarHBondContact O-N 2.72Å; P466-M468 VanDerWaalsContact O-N 3.16Å; M468-I470 PolarHBondContact O-N 3.12Å
469H47.4Very low45.7Very low149 Ų149140.1 Ų140.169%0.6976%0.762SS**  trans-60.1101.2-179.2-37.390.2000111.5E467E467-H469 PolarHBondContact O-CE1 3.29Å; E467-H469 PolarHBondContact O-N 3.34Å; E467-H469 VanDerWaalsContact O-N 3.15Å; E467-H469 PolarHBondContact O-ND1 3.16Å; E467-H469 VanDerWaalsContact O-ND1 3.12Å; E467-H469 IonicContact OE1-CD2 3.38Å; E467-H469 PolarHBondContact OE1-CD2 2.93Å; E467-H469 VanDerWaalsContact OE1-CD2 3.3Å; E467-H469 IonicContact OE1-NE2 3Å
470I47.8Very low45Very low125 Ų125139 Ų13964%0.64176%0.757SS**  trans-97.4117.4171.1-65.2166.2000107.4M468 H472M468-I470 PolarHBondContact O-N 3.12Å; I470-H472 PolarHBondContact O-N 2.89Å
471P50.3Low44.3Very low121 Ų121134 Ų13479%0.78676%0.755SS**  trans-76.1113.7-17829.2-33.2000111.1
472H39.9Very low43.6Very low171 Ų171135.7 Ų135.779%0.79276%0.763SS**  trans-85.5134.9169.7-70.6-74.1000111.1I470I470-H472 PolarHBondContact O-N 2.89Å
473P49.7Very low43.9Very low129 Ų129132.8 Ų132.884%0.83876%0.757SS**  trans-91.3150.7179.135.4-34.2000112.6
474G35.1Very low43.3Very low68 Ų68132.3 Ų132.370%0.70175%0.754SS**  trans148.6118.6151.700000119.2
475L34.2Very low42.7Very low147 Ų147131.2 Ų131.277%0.7776%0.756SS**  trans73.273.7132.1-50.5179.7000121.9
476H37.9Very low42.3Very low169 Ų169130.3 Ų130.378%0.78276%0.757SS**  59.9-173.5123.2-54.1-50.4000119.6
477P52Low42Very low93 Ų93130.5 Ų130.560%0.60476%0.759SS**  cis-124.9-171.7-21.712.313.7000113.9
478H33.4Very low41.3Very low163 Ų163127.2 Ų127.276%0.75576%0.757SS**  trans75.7141.8166-49.6-58.9000115.8
479Q38.6Very low41.3Very low171 Ų171127.5 Ų127.580%0.79976%0.761SS**  cis-156.3157.2-0.3-107.5158.521.700105.7
480S39.7Very low41Very low107 Ų107132.3 Ų132.375%0.74878%0.775SS**  cis167132.3-19500000107
481G34.7Very low40.6Very low78 Ų78129.9 Ų129.980%0.80478%0.78SS**  trans103.1112.2179.100000113.5
482A37Very low40.4Very low97 Ų97127.3 Ų127.380%0.80278%0.776SS**  cis86.315228.100000114.8
483P49.7Very low40.8Very low110 Ų110124.6 Ų124.671%0.71477%0.774SS**  -132-162.1-56.536.4-19.6000112.1
484I39.5Very low40.6Very low167 Ų167124.5 Ų124.586%0.85677%0.773SS**  trans81.2129.4174.1-50.4154.7000113.1
485A33.3Very low41.2Very low92 Ų92127 Ų12776%0.7677%0.774SS**  cis-133.5160.42.300000112.9
486N39.3Very low41.5Very low154 Ų154125.5 Ų125.582%0.82478%0.776SS**  trans-102.5164.1157.9-103.9-44.5000108
487P46.8Very low42Very low118 Ų118124.9 Ų124.977%0.76678%0.778SS**  cis-140.9-17927.142.9-25.1000117.6
488A36.4Very low41.5Very low81 Ų81125.5 Ų125.567%0.66979%0.785SS**  trans86.5161.8154.500000119.2
489L43.8Very low42Very low167 Ų167124.1 Ų124.187%0.87479%0.79SS**  trans6692.9-173.3-72.183.9000116.7G491L489-G491 PolarHBondContact O-N 3.35Å
490Y42.4Very low42.5Very low250 Ų250119 Ų11998%0.9878%0.784SS**  trans14.1103.7136.9-105.8-100.9000117.2
491G39.6Very low42.5Very low74 Ų74122.2 Ų122.276%0.76379%0.787SS**  trans-159.5130.6168.400000111.2L489L489-G491 PolarHBondContact O-N 3.35Å
492G44.7Very low42.6Very low67 Ų67124 Ų12469%0.69178%0.784SS**  trans-71.8168.4170.900000112
493P48.8Very low42.9Very low115 Ų115127.3 Ų127.375%0.74778%0.783SS**  trans-63.5144.9-175.426.9-35.2000112.2V495P493-V495 PolarHBondContact O-N 3.42Å
494P46.8Very low42.6Very low127 Ų127130.4 Ų130.483%0.82579%0.788SS**  trans-69.5105.2176.628.7-33.9000110.4S496P494-S496 PolarHBondContact O-N 3.19Å
495V45.7Very low43Very low119 Ų119129.7 Ų129.772%0.72179%0.785SS**  trans-77.3109.2170.7-179.60000108.7P493 L497P493-V495 PolarHBondContact O-N 3.42Å; V495-L497 PolarHBondContact O-N 3.42Å; V495-L497 VanDerWaalsContact O-N 3.1Å
496S42.4Very low43.8Very low117 Ų117132.4 Ų132.482%0.81879%0.786SS**  trans-57.5111.9174.5-59.80000111P494 S498P494-S496 PolarHBondContact O-N 3.19Å; S496-S498 PolarHBondContact O-N 3.12Å
497L48.5Very low44Very low156 Ų156130.4 Ų130.482%0.81778%0.781SS**  trans-75.5115179-66.6177.4000110.9V495V495-L497 PolarHBondContact O-N 3.42Å; V495-L497 VanDerWaalsContact O-N 3.1Å
498S40.7Very low44.1Very low106 Ų106130.2 Ų130.274%0.74178%0.78SS**  trans-72.9129.8166-172.80000109.9S496 G500S496-S498 PolarHBondContact O-N 3.12Å; S498-G500 PolarHBondContact O-N 3.17Å
499P43.3Very low45.1Very low133 Ų133131.5 Ų131.586%0.86478%0.781SS**SBendtrans-78.788.6-17131.1-35.5000112.1
500G48.5Very low45.3Very low65 Ų65132.7 Ų132.767%0.6778%0.78SS**  trans-179.921.317900000119.5S498S498-G500 PolarHBondContact O-N 3.17Å
501Q40.8Very low46Very low174 Ų174130.4 Ų130.481%0.81377%0.771SS**  trans-129.7129.1-179.6-77.2-75.7-3900112
502P36Very low46.9Very low114 Ų114130.3 Ų130.374%0.7476%0.757SS**  trans-75.3131170.831-32.3000110.5Q504P502-Q504 PolarHBondContact O-N 3.27Å
503Q43.4Very low47Very low168 Ų168131.5 Ų131.579%0.78575%0.752SS**  trans-70.7123.3-179.6-66.3-175.34.800111.8L505Q503-L505 PolarHBondContact O-N 2.75Å
504Q44.8Very low47.3Very low174 Ų174132.6 Ų132.681%0.81376%0.759SS**  trans-76.7104.7159.8-73.3-75.9-0.100108.4P502 L506P502-Q504 PolarHBondContact O-N 3.27Å; Q504-L506 PolarHBondContact O-N 2.88Å
505L46.5Very low47.7Very low153 Ų153130.5 Ų130.580%0.80176%0.761SS**  trans-70.696173.9-78.8165.2000110Q503Q503-L505 PolarHBondContact O-N 2.75Å
506L51.7Low48.1Very low149 Ų149129.4 Ų129.478%0.7875%0.754SS**PPolyproline II helixtrans-66134.5164.8-88.770.3000109.1Q504Q504-L506 PolarHBondContact O-N 2.88Å
507P43.2Very low48.7Very low112 Ų112131 Ų13173%0.72775%0.751SS**PPolyproline II helixtrans-65.5146.4169.529.1-34000110
508P48.6Very low48.9Very low114 Ų114128.8 Ų128.874%0.7474%0.743SS**PPolyproline II helixtrans-64.1146.4-179.926.8-34.6000111.5F510P508-F510 PolarHBondContact O-N 3.1Å; P508-F510 VanDerWaalsContact O-N 3.13Å
509P56.9Low49.2Very low107 Ų107131 Ų13170%0.69574%0.74SS**  trans-65.9113.9-179.326.7-33.9000110.8Y511P509-Y511 HydrophobicContact CB-CE2 4.36Å; P509-Y511 HydrophobicContact CG-CE2 4.38Å; P509-Y511 PolarHBondContact O-N 3.19Å; P509-Y511 VanDerWaalsContact O-N 3.13Å
510F48.3Very low49.4Very low193 Ų193130.6 Ų130.685%0.84674%0.738SS**  trans-78.895.7180-163.7-84.7000110.4P508 P512P508-F510 PolarHBondContact O-N 3.1Å; P508-F510 VanDerWaalsContact O-N 3.13Å; F510-P512 WeakPolarHBondContact O-CD 3.42Å
511Y56.3Low48.9Very low202 Ų202137.7 Ų137.779%0.79275%0.745SS**PPolyproline II helixtrans-72.4120.1171.9-82.7-93.8000110.4P509P509-Y511 HydrophobicContact CB-CE2 4.36Å; P509-Y511 HydrophobicContact CG-CE2 4.38Å; P509-Y511 PolarHBondContact O-N 3.19Å; P509-Y511 VanDerWaalsContact O-N 3.13Å
512P58.2Low48.9Very low71 Ų71134.4 Ų134.446%0.46174%0.739SS.*PPolyproline II helixtrans-71.2148.3171.630.6-34000110.7F510F510-P512 WeakPolarHBondContact O-CD 3.42Å
513P48.1Very low49.2Very low92 Ų92133.5 Ų133.560%0.59774%0.742SS**PPolyproline II helixtrans-66.6152.817828-34.8000112.1
514P53.8Low48.9Very low138 Ų138133.7 Ų133.790%0.89675%0.745SS**THydrogen-bonded Turntrans-64.2139.5-176.126.7-35000112.2
515G55.8Low48.5Very low83 Ų83135 Ų13586%0.85674%0.743SS**THydrogen-bonded Turntrans112.7-14.1177.800000115.1
516V54.4Low48.1Very low97 Ų97133.4 Ų133.459%0.58874%0.742SS**  trans-95109178.2-1650000110.7T518V516-T518 PolarHBondContact O-N 2.79Å; V516-T518 VanDerWaalsContact O-N 3.13Å
517M55.2Low47.3Very low151 Ų151131.6 Ų131.674%0.74474%0.738SS**  trans-71.7102.2170.8-78-176.367.700110.7F519M517-F519 HydrophobicContact CB-CE2 4.37Å; M517-F519 HydrophobicContact CE-CE1 4.47Å; M517-F519 HydrophobicContact CE-CZ 4.09Å; M517-F519 PolarHBondContact O-N 2.99Å
518T53.2Low47.2Very low108 Ų108132.2 Ų132.266%0.66374%0.742SS**  trans-78.993.7172.647.20000110.6V516V516-T518 PolarHBondContact O-N 2.79Å; V516-T518 VanDerWaalsContact O-N 3.13Å
519F45.4Very low47Very low154 Ų154135.4 Ų135.468%0.67575%0.746SS**  trans-61.4127.6169.6-71.9-85.6000110M517 Y521M517-F519 HydrophobicContact CB-CE2 4.37Å; M517-F519 HydrophobicContact CE-CE1 4.47Å; M517-F519 HydrophobicContact CE-CZ 4.09Å; M517-F519 PolarHBondContact O-N 2.99Å; F519-Y521 PolarHBondContact O-N 3.02Å
520P49.2Very low46.5Very low124 Ų124133.4 Ų133.481%0.80575%0.746SS**  trans-72.792.4177.629.6-33.8000109.5
521Y36.4Very low46.4Very low213 Ų213129.5 Ų129.584%0.83573%0.73SS**  trans-57128.4163-89-93.2000108.5F519 A523F519-Y521 PolarHBondContact O-N 3.02Å; Y521-A523 PolarHBondContact O-N 2.87Å
522P42.6Very low46.3Very low106 Ų106122.2 Ų122.269%0.68871%0.711SS**  trans-60.3125.2166.126.7-32.4000107.4M524P522-M524 PolarHBondContact O-N 3.19Å
523A40.4Very low46.1Very low95 Ų95123.4 Ų123.479%0.78571%0.711SS**  trans-61.9102.8179.900000109.4Y521 Y525Y521-A523 PolarHBondContact O-N 2.87Å; A523-Y525 PolarHBondContact O-N 2.9Å
524M39Very low46.9Very low172 Ų172123.9 Ų123.985%0.84771%0.712SS**  trans-57.5112.2173.1-77.8-69.8-71.300108.2P522P522-M524 PolarHBondContact O-N 3.19Å
525Y36.2Very low47.4Very low201 Ų201121 Ų12179%0.78869%0.691SS**  trans-3.2116.2-179-75.5-96.7000116.1A523 T527A523-Y525 PolarHBondContact O-N 2.9Å; Y525-T527 PolarHBondContact O-N 3.17Å
526P37.2Very low47.2Very low119 Ų119126 Ų12677%0.77369%0.686SS**  trans-59.1114.5163.326.4-32.6000108.5P528P526-P528 WeakPolarHBondContact O-CD 3.39Å
527T35.3Very low47.9Very low112 Ų112125 Ų12569%0.68770%0.696SS**  trans-57.5119.3-172.2-53.40000110.7Y525 Q529Y525-T527 PolarHBondContact O-N 3.17Å; T527-Q529 HydrophobicContact CG2-CB 4.38Å; T527-Q529 PolarHBondContact O-N 3.13Å
528P41.6Very low48.5Very low125 Ų125121.3 Ų121.381%0.81270%0.696SS**THydrogen-bonded Turntrans-78.641.8-17733.7-37.1000112.6P526P526-P528 WeakPolarHBondContact O-CD 3.39Å
529Q44.5Very low48.9Very low180 Ų180119.8 Ų119.884%0.84169%0.686SS**THydrogen-bonded Turntrans-13532.3173-67.2-160.3-5.900112.3T527T527-Q529 HydrophobicContact CG2-CB 4.38Å; T527-Q529 PolarHBondContact O-N 3.13Å
530G44.5Very low50.4Low66 Ų66114.7 Ų114.768%0.6867%0.668SS**  trans-103.283154.900000109.6A532G530-A532 PolarHBondContact O-N 3.45Å
531Q47.3Very low51.2Low111 Ų111115.5 Ų115.552%0.51966%0.656SS.*  trans-62.8133.3162.2-73.1-178-53.100107.5Q533 Y542Q531-Q533 HydrophobicContact CB-CG 4.07Å; Q531-Q533 PolarHBondContact O-N 3.43Å; Q531-Y542 HydrophobicContact CB-CD1 4.5Å; Q531-Y542 VanDerWaalsContact OE1-CE1 3.32Å
532A53.3Low52.4Low48 Ų48111.1 Ų111.140%0.39764%0.639SS.*  trans-7075.1178.300000110.8G530 V534G530-A532 PolarHBondContact O-N 3.45Å; A532-V534 PolarHBondContact O-N 2.85Å
533Q55.5Low53.6Low97 Ų97109 Ų10945%0.45362%0.622SS.*EExtended strand (participates in β ladder)trans-8179.3-174.3-77.7-177.112.600110.7Q531 T535 T540 Y542Q531-Q533 HydrophobicContact CB-CG 4.07Å; Q531-Q533 PolarHBondContact O-N 3.43Å; Q533-T535 PolarHBondContact O-N 2.92Å; Q533-T540 HydrophobicContact CB-CG2 3.57Å; Q533-T540 HydrophobicContact CG-CG2 3.67Å; Q533-Y542 HydrophobicContact CG-CD1 4.2Å; Q533-Y542 HydrophobicContact CG-CE1 3.92Å
534V63.3Low54.7Low101 Ų101109.5 Ų109.561%0.61262%0.615SS**EExtended strand (participates in β ladder)trans-69.7105.2172.3-176.20000108.1A532 Y541A532-V534 PolarHBondContact O-N 2.85Å; V534-Y541 PolarHBondContact N-O 3.36Å; V534-Y541 PolarHBondContact O-N 3.4Å
535T65.1Low55.6Low77 Ų77108.7 Ų108.747%0.47261%0.611SS.*EExtended strand (participates in β ladder)trans-100.6115.2179.1-59.90000109.7Q533 V539 T540Q533-T535 PolarHBondContact O-N 2.92Å; T535-V539 WeakPolarHBondContact CA-O 3.48Å; T535-T540 WeakPolarHBondContact OG1-CB 3.47Å; T535-T540 WeakPolarHBondContact OG1-CG2 3.41Å; T535-T540 PolarHBondContact OG1-OG1 3.35Å
536Y50.8Low56.8Low189 Ų189105.8 Ų105.874%0.74161%0.605SS**EExtended strand (participates in β ladder)trans-129.9135.1178.5-166.9-91.6000110G538 V539Y536-G538 PolarHBondContact O-N 3.11Å; Y536-G538 VanDerWaalsContact O-N 3.14Å; Y536-V539 PolarHBondContact N-O 2.89Å; Y536-V539 PolarHBondContact O-N 3.1Å
537G69.1Low57.7Low77 Ų77105.6 Ų105.679%0.79459%0.594SS**THydrogen-bonded Turntrans59.222.7-17700000114.8V539G537-V539 VanDerWaalsContact C-N 3.31Å
538G69.6Low58.6Low73 Ų73109 Ų10975%0.75360%0.602SS**THydrogen-bonded Turntrans812.3-174.300000115.1Y536Y536-G538 PolarHBondContact O-N 3.11Å; Y536-G538 VanDerWaalsContact O-N 3.14Å
539V61Low59.3Low75 Ų75107.1 Ų107.146%0.45560%0.597SS.*EExtended strand (participates in β ladder)trans-103.5123.7174.3-178.30000109.4T535 Y536 G537 Y541T535-V539 WeakPolarHBondContact CA-O 3.48Å; Y536-V539 PolarHBondContact N-O 2.89Å; Y536-V539 PolarHBondContact O-N 3.1Å; G537-V539 VanDerWaalsContact C-N 3.31Å; V539-Y541 HydrophobicContact CB-CE2 3.91Å; V539-Y541 HydrophobicContact CG1-CD2 4.39Å; V539-Y541 HydrophobicContact CG1-CE1 4.19Å; V539-Y541 HydrophobicContact CG1-CE2 3.8Å; V539-Y541 WeakPolarHBondContact O-CD2 3.28Å; V539-Y541 WeakPolarHBondContact O-CE2 3.1Å
540T76.3Confident60.2Low48 Ų48106.5 Ų106.529%0.29459%0.594SS.*EExtended strand (participates in β ladder)trans-89.7116.1176.5-55.70000110.6Q533 T535 Y542Q533-T540 HydrophobicContact CB-CG2 3.57Å; Q533-T540 HydrophobicContact CG-CG2 3.67Å; T535-T540 WeakPolarHBondContact OG1-CB 3.47Å; T535-T540 WeakPolarHBondContact OG1-CG2 3.41Å; T535-T540 PolarHBondContact OG1-OG1 3.35Å; T540-Y542 HydrophobicContact CG2-CE2 4.21Å
541Y65.6Low61Low141 Ų141108.7 Ų108.755%0.55360%0.596SS**EExtended strand (participates in β ladder)trans-92.3141174.4-61.3-89.4000110.1V534 V539V534-Y541 PolarHBondContact N-O 3.36Å; V534-Y541 PolarHBondContact O-N 3.4Å; V539-Y541 HydrophobicContact CB-CE2 3.91Å; V539-Y541 HydrophobicContact CG1-CD2 4.39Å; V539-Y541 HydrophobicContact CG1-CE1 4.19Å; V539-Y541 HydrophobicContact CG1-CE2 3.8Å; V539-Y541 WeakPolarHBondContact O-CD2 3.28Å; V539-Y541 WeakPolarHBondContact O-CE2 3.1Å
542Y62.8Low61.8Low120 Ų120112.7 Ų112.747%0.47161%0.612SS.*EExtended strand (participates in β ladder)trans-112.2121.2178-62.2-96.6000108.8Q531 Q533 T540 T544Q531-Y542 HydrophobicContact CB-CD1 4.5Å; Q531-Y542 VanDerWaalsContact OE1-CE1 3.32Å; Q533-Y542 HydrophobicContact CG-CD1 4.2Å; Q533-Y542 HydrophobicContact CG-CE1 3.92Å; T540-Y542 HydrophobicContact CG2-CE2 4.21Å; Y542-T544 PolarHBondContact O-N 3.18Å
543D68.1Low62.1Low61 Ų61116.2 Ų116.233%0.32663%0.631SS.*  trans-60.7130.9171.6-179.216.6000110.5M545 Q546 Q547D543-M545 WeakPolarHBondContact OD1-CB 3.38Å; D543-M545 PolarHBondContact OD1-N 3.13Å; D543-Q546 VanDerWaalsContact OD2-CG 3.29Å; D543-Q546 WeakPolarHBondContact OD2-CG 3.35Å; D543-Q546 PolarHBondContact OD2-N 2.74Å; D543-Q546 PolarHBondContact OD2-NE2 3.14Å; D543-Q547 PolarHBondContact O-NE2 3.33Å
544T63.1Low62.3Low106 Ų106116.8 Ų116.865%0.6565%0.645SS**SBendtrans-94.5-20.2177.251.10000112.6Y542 Q547Y542-T544 PolarHBondContact O-N 3.18Å; T544-Q547 WeakPolarHBondContact O-CB 3.18Å; T544-Q547 PolarHBondContact O-N 2.83Å; T544-Q547 VanDerWaalsContact O-N 3.17Å
545M58.4Low62.6Low156 Ų156117.4 Ų117.477%0.76865%0.652SS**G310 helixtrans-64.6-46.5176.3-65.8-67.8-70.500110.6D543 Q547 Q548D543-M545 WeakPolarHBondContact OD1-CB 3.38Å; D543-M545 PolarHBondContact OD1-N 3.13Å; M545-Q547 PolarHBondContact O-N 2.71Å; M545-Q547 VanDerWaalsContact O-N 3.14Å; M545-Q548 PolarHBondContact O-N 3.25Å
546Q59.5Low62.7Low139 Ų139120 Ų12065%0.6567%0.67SS**G310 helixtrans-68.3-5.2174.9-74174.37800114.6D543 Q548D543-Q546 VanDerWaalsContact OD2-CG 3.29Å; D543-Q546 WeakPolarHBondContact OD2-CG 3.35Å; D543-Q546 PolarHBondContact OD2-N 2.74Å; D543-Q546 PolarHBondContact OD2-NE2 3.14Å; Q546-Q548 VanDerWaalsContact C-N 3.33Å
547Q56.5Low63.5Low116 Ų116122.6 Ų122.654%0.54268%0.678SS.*G310 helixtrans-85.4-1175.7-69.8179.559.300113.9D543 T544 M545 A549D543-Q547 PolarHBondContact O-NE2 3.33Å; T544-Q547 WeakPolarHBondContact O-CB 3.18Å; T544-Q547 PolarHBondContact O-N 2.83Å; T544-Q547 VanDerWaalsContact O-N 3.17Å; M545-Q547 PolarHBondContact O-N 2.71Å; M545-Q547 VanDerWaalsContact O-N 3.14Å; Q547-A549 PolarHBondContact O-N 3.35Å
548Q54.1Low63.4Low183 Ų183130.2 Ų130.286%0.85568%0.683SS**  trans-74.566.7169.9-164171.178.400110.9M545 Q546 Q550M545-Q548 PolarHBondContact O-N 3.25Å; Q546-Q548 VanDerWaalsContact C-N 3.33Å; Q548-Q550 PolarHBondContact O-N 3Å
549A57.4Low63.1Low86 Ų86132 Ų13271%0.71168%0.679SS**PPolyproline II helixtrans-59.7125.3179.700000110.8Q547Q547-A549 PolarHBondContact O-N 3.35Å
550Q62.2Low62.9Low166 Ų166134.1 Ų134.178%0.77670%0.698SS**PPolyproline II helixtrans-47.2136172.2-73.1-72.2-5.400110.4Q548 K552Q548-Q550 PolarHBondContact O-N 3Å; Q550-K552 PolarHBondContact O-N 3.26Å; Q550-K552 VanDerWaalsContact O-N 3.12Å
551P61.4Low62.6Low113 Ų113139 Ų13973%0.73472%0.717SS**PPolyproline II helixtrans-59122.318025.2-33.2000109
552K64Low62.6Low194 Ų194137.4 Ų137.484%0.84372%0.724SS**PPolyproline II helixtrans-56.7134.3-178.1-67.6-173.2175.8-169.70109.6Q550 S554Q550-K552 PolarHBondContact O-N 3.26Å; Q550-K552 VanDerWaalsContact O-N 3.12Å; K552-S554 PolarHBondContact O-N 2.75Å
553P61.5Low62.5Low122 Ų122138 Ų13879%0.79274%0.74SS**PPolyproline II helixtrans-56.8138.4177.624.2-33.8000109.8
554S58.2Low62.4Low109 Ų109141.3 Ų141.376%0.76276%0.762SS**PPolyproline II helixtrans-61.8141.4-176.9-52.10000110.9K552K552-S554 PolarHBondContact O-N 2.75Å
555P71.1Confident62.5Low115 Ų115142.1 Ų142.175%0.74777%0.767SS**PPolyproline II helixtrans-55.8141.7174.5-25.234.6000111.4R557P555-R557 PolarHBondContact O-N 2.86Å
556P66.8Low63.2Low130 Ų130143.4 Ų143.484%0.84477%0.769SS**PPolyproline II helixtrans-55.2123.3177.5-26.635000111.6R558P556-R558 PolarHBondContact O-N 3.48Å
557R66.3Low63.9Low245 Ų245141.5 Ų141.593%0.92577%0.768SS**PPolyproline II helixtrans-63.9117.7174.2-86.6-177152.5-146.6-5.4109.4P555P555-R557 PolarHBondContact O-N 2.86Å
558R67.1Low64.4Low236 Ų236141.4 Ų141.489%0.89178%0.778SS**PPolyproline II helixtrans-60.5135.4164.5-115174.9155-95.60.4109P556P556-R558 PolarHBondContact O-N 3.48Å
559T64.1Low65.2Low110 Ų110138 Ų13868%0.67577%0.771SS**PPolyproline II helixtrans-69.2134.1173.945.80000110.3Q561T559-Q561 PolarHBondContact O-N 3.47Å; T559-Q561 VanDerWaalsContact O-N 3.1Å
560S56.5Low66Low121 Ų121139.6 Ų139.685%0.84678%0.775SS**  trans-80.683.2175.652.50000109.9
561Q69.8Low66.5Low150 Ų150140.8 Ų140.870%0.70178%0.78SS**  trans-69.7135.4167.7-64.1-66.16.200109.4T559 V563T559-Q561 PolarHBondContact O-N 3.47Å; T559-Q561 VanDerWaalsContact O-N 3.1Å; Q561-V563 PolarHBondContact O-N 2.6Å
562P66.8Low66.9Low108 Ų108141 Ų14170%0.70178%0.779SS**  trans-65.9129.4178.127.3-33.6000110.3T564P562-T564 PolarHBondContact O-N 2.95Å
563V60.2Low66.6Low131 Ų131137.6 Ų137.679%0.79478%0.776SS**  trans-82.7105.6172.1178.60000107.8Q561 V565Q561-V563 PolarHBondContact O-N 2.6Å; V563-V565 VanDerWaalsContact C-N 3.35Å; V563-V565 PolarHBondContact O-N 2.89Å
564T65.4Low66.2Low131 Ų131142.1 Ų142.180%0.80478%0.779SS**  trans-68.191.3175.5-51.40000110.1P562 K566P562-T564 PolarHBondContact O-N 2.95Å; T564-K566 PolarHBondContact O-N 3.45Å; T564-K566 VanDerWaalsContact O-N 3.13Å
565V65.5Low66Low124 Ų124141.7 Ų141.775%0.75278%0.783SS**  trans-68.3107.5169.8-177.80000107.8V563V563-V565 VanDerWaalsContact C-N 3.35Å; V563-V565 PolarHBondContact O-N 2.89Å
566K71.9Confident64.9Low183 Ų183142 Ų14280%0.79679%0.788SS**PPolyproline II helixtrans-66.2128.5173.5-173179.9178.1-179.40108.5T564T564-K566 PolarHBondContact O-N 3.45Å; T564-K566 VanDerWaalsContact O-N 3.13Å
567P74.4Confident63.9Low98 Ų98148.7 Ų148.764%0.63681%0.807SS**PPolyproline II helixtrans-62.615317626.7-34.5000110.9
568P68.9Low63.7Low115 Ų115143.9 Ų143.975%0.74780%0.802SS**PPolyproline II helixtrans-60150.5172.927.5-34.6000110.6
569P70Confident63.6Low111 Ų111139 Ų13972%0.72180%0.797SS**PPolyproline II helixtrans-63.6148.2173.629.5-34.7000110.3
570P74.3Confident63.5Low120 Ų120140.6 Ų140.678%0.77980%0.804SS**PPolyproline II helixtrans-63.7140.1174.428.1-34.5000110.3V572P570-V572 PolarHBondContact O-N 2.97Å
571E72.8Confident64Low191 Ų191141.8 Ų141.889%0.89380%0.801SS**PPolyproline II helixtrans-67.8121.4173.8-64.4-177.3171.800109.2
572V69.1Low63.6Low116 Ų116141.3 Ų141.370%0.70381%0.807SS**PPolyproline II helixtrans-76.2125.8171.3-73.30000108.6P570 Y574P570-V572 PolarHBondContact O-N 2.97Å; V572-Y574 PolarHBondContact O-N 3.31Å
573P58.9Low63.4Low123 Ų123143.5 Ų143.580%0.79982%0.815SS**PPolyproline II helixtrans-65.2125.3173.727-32.7000108.6A575P573-A575 PolarHBondContact O-N 3.21Å
574Y52.8Low63.6Low217 Ų217144.4 Ų144.485%0.85182%0.816SS**  trans-65104.6170.5-83-93.2000108.8V572 S576V572-Y574 PolarHBondContact O-N 3.31Å; Y574-S576 PolarHBondContact O-N 3.27Å
575A54Low63.5Low101 Ų101145.4 Ų145.484%0.83582%0.817SS**  trans-57.9128.8163.600000108.2P573P573-A575 PolarHBondContact O-N 3.21Å
576S47.8Very low63.3Low122 Ų122147.2 Ų147.285%0.85382%0.822SS**  trans-95.7118.3175-57.70000108.7Y574Y574-S576 PolarHBondContact O-N 3.27Å
577E44.7Very low62.5Low269 Ų269143.9 Ų143.9100%1.25783%0.825SS**  trans-142.40165.1-165.4173.4177.900108

Retrieved 577 of 577 residues in 55.6 ms (Link to these results)