G4VFE1_SCHMA Loading...

Fibrillar collagen NC1 domain-containing protein

AlphaFold DB , UniProt , Accession G4VFE1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,308 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
1M36.2Very low48.9Very low243 Ų243164.8 Ų164.8100%1.19775%0.753SS**  0139.40-75.2169.7165.600108.5
2Y37.1Very low50.5Low222 Ų222157.3 Ų157.387%0.87173%0.728SS**  trans-82.4142.9176.6-75.9-101.1000110.6
3H38.8Very low52.1Low184 Ų184155.5 Ų155.585%0.85272%0.717SS**  trans-136.882.7165.3-114.9-63.3000110.3K5H3-K5 PolarHBondContact O-N 3.34Å
4I42.4Very low53.5Low133 Ų133155.5 Ų155.568%0.68272%0.715SS**  trans-72.3117.9169.1-64.1172.3000107.4F6I4-F6 PolarHBondContact O-N 3.38Å
5K49.2Very low54.8Low172 Ų172152.1 Ų152.175%0.74870%0.703SS**  trans-79.7107.6173.1-72.9-173.9177.3-179.20109.5H3 Y7H3-K5 PolarHBondContact O-N 3.34Å; K5-Y7 PolarHBondContact O-N 3.28Å
6F45.7Very low56Low193 Ų193147.4 Ų147.485%0.84668%0.684SS**PPolyproline II helixtrans-62.6119.4164.1-83.6-97.9000109.5I4I4-F6 PolarHBondContact O-N 3.38Å
7Y49.5Very low56.8Low170 Ų170142.4 Ų142.467%0.66767%0.669SS**PPolyproline II helixtrans-79.4139.6165.1-79-92.2000109.3K5 T11K5-Y7 PolarHBondContact O-N 3.28Å; Y7-T11 HydrophobicContact CD1-CG2 4.37Å
8P57.2Low57.8Low83 Ų83139.6 Ų139.654%0.53966%0.658SS.*PPolyproline II helixtrans-67.7144.9-179.928-33.6000111R10 T11P8-R10 PolarHBondContact O-N 2.86Å; P8-T11 WeakPolarHBondContact O-CB 3.44Å; P8-T11 PolarHBondContact O-N 3Å
9I59Low58.5Low138 Ų138137.9 Ų137.971%0.70865%0.653SS**Hα-helixtrans-53.3-32.3-173-64.8167.2000112.7T11 V12 F13I9-T11 VanDerWaalsContact C-N 3.3Å; I9-T11 PolarHBondContact O-N 2.79Å; I9-V12 PolarHBondContact O-N 3.46Å; I9-F13 HydrophobicContact CG2-CD2 4.37Å; I9-F13 PolarHBondContact O-N 2.98Å
10R58.1Low59.1Low217 Ų217137.6 Ų137.682%0.81965%0.651SS**Hα-helixtrans-58.3-35.2174.4-77.1-175.2169.9-178.7-3.2113.8P8 F14P8-R10 PolarHBondContact O-N 2.86Å; R10-F14 PolarHBondContact O-N 3.33Å
11T65.2Low59.6Low58 Ų58136.1 Ų136.136%0.35665%0.647SS.*Hα-helixtrans-71-37.9178.3-52.20000111.4Y7 P8 I9 F14 L15Y7-T11 HydrophobicContact CD1-CG2 4.37Å; P8-T11 WeakPolarHBondContact O-CB 3.44Å; P8-T11 PolarHBondContact O-N 3Å; I9-T11 VanDerWaalsContact C-N 3.3Å; I9-T11 PolarHBondContact O-N 2.79Å; T11-F14 PolarHBondContact O-N 3Å; T11-L15 PolarHBondContact O-N 2.91Å
12V67.2Low61.3Low74 Ų74128.8 Ų128.845%0.44861%0.611SS.*Hα-helixtrans-66.2-44.4175-176.60000110.4I9 F14 L15 I16I9-V12 PolarHBondContact O-N 3.46Å; V12-F14 PolarHBondContact O-N 2.98Å; V12-L15 PolarHBondContact O-N 3.26Å; V12-I16 HydrophobicContact CG1-CD1 3.99Å; V12-I16 WeakPolarHBondContact O-CG1 3.36Å; V12-I16 PolarHBondContact O-N 3.22Å
13F71.2Confident62.7Low135 Ų135124 Ų12459%0.59260%0.597SS**Hα-helixtrans-59.8-43.5174.1-114.3-88.4000112.5I9 L15 I16 C17I9-F13 HydrophobicContact CG2-CD2 4.37Å; I9-F13 PolarHBondContact O-N 2.98Å; F13-L15 PolarHBondContact O-N 2.89Å; F13-I16 PolarHBondContact O-N 3.27Å; F13-C17 PolarHBondContact O-N 3.06Å; F13-C17 PolarHBondContact O-SG 3.44Å; F13-C17 VanDerWaalsContact O-SG 3.37Å
14F72.7Confident63.8Low155 Ų155117.2 Ų117.268%0.6857%0.573SS**Hα-helixtrans-61-41.1176.1-111.2-89.6000112.7R10 T11 V12 C17 L18R10-F14 PolarHBondContact O-N 3.33Å; T11-F14 PolarHBondContact O-N 3Å; V12-F14 PolarHBondContact O-N 2.98Å; F14-C17 PolarHBondContact O-N 3.41Å; F14-L18 WeakPolarHBondContact O-CB 3.47Å; F14-L18 PolarHBondContact O-N 3.37Å
15L72.3Confident64.8Low104 Ų104116.1 Ų116.155%0.54557%0.565SS.*Hα-helixtrans-64.8-41.4175.3-82161.7000112.3T11 V12 F13 L18 L19T11-L15 PolarHBondContact O-N 2.91Å; V12-L15 PolarHBondContact O-N 3.26Å; F13-L15 PolarHBondContact O-N 2.89Å; L15-L18 PolarHBondContact O-N 3.43Å; L15-L19 WeakPolarHBondContact O-CG 3.38Å; L15-L19 PolarHBondContact O-N 3.23Å
16I74.3Confident65.3Low77 Ų77116.1 Ų116.140%0.39556%0.56SS.*Hα-helixtrans-63.7-44.2175.7-67.4167.3000110.6V12 F13 L19 H20V12-I16 HydrophobicContact CG1-CD1 3.99Å; V12-I16 WeakPolarHBondContact O-CG1 3.36Å; V12-I16 PolarHBondContact O-N 3.22Å; F13-I16 PolarHBondContact O-N 3.27Å; I16-L19 PolarHBondContact O-N 2.95Å; I16-H20 PolarHBondContact O-N 2.97Å; I16-H20 PolarHBondContact O-ND1 3.33Å
17C70.1Confident66.1Low63 Ų63111.1 Ų111.143%0.42655%0.545SS..Hα-helixtrans-63.4-39.3175-69.70000112.4F13 F14 H20 L21F13-C17 PolarHBondContact O-N 3.06Å; F13-C17 PolarHBondContact O-SG 3.44Å; F13-C17 VanDerWaalsContact O-SG 3.37Å; F14-C17 PolarHBondContact O-N 3.41Å; C17-H20 PolarHBondContact O-N 3.32Å; C17-L21 PolarHBondContact O-N 3.46Å
18L74.4Confident66.6Low92 Ų92111.5 Ų111.548%0.48255%0.546SS..Hα-helixtrans-61.9-44174.6-128.977.8000111.5F14 L15 H20 L21 I22F14-L18 WeakPolarHBondContact O-CB 3.47Å; F14-L18 PolarHBondContact O-N 3.37Å; L15-L18 PolarHBondContact O-N 3.43Å; L18-H20 VanDerWaalsContact C-N 3.34Å; L18-H20 PolarHBondContact O-N 3.26Å; L18-L21 PolarHBondContact O-N 2.89Å; L18-I22 WeakPolarHBondContact O-CB 3.24Å; L18-I22 WeakPolarHBondContact O-CD1 3.45Å; L18-I22 VanDerWaalsContact O-CG1 3.24Å; L18-I22 WeakPolarHBondContact O-CG1 3.5Å; L18-I22 PolarHBondContact O-N 3.33Å
19L71.1Confident66.6Low108 Ų108115.9 Ų115.957%0.56555%0.551SS**Hα-helixtrans-62.3-39.8176.6-75.1164.7000112.1L15 I16 I22 Q23L15-L19 WeakPolarHBondContact O-CG 3.38Å; L15-L19 PolarHBondContact O-N 3.23Å; I16-L19 PolarHBondContact O-N 2.95Å; L19-I22 PolarHBondContact O-N 3.02Å; L19-Q23 VanDerWaalsContact O-CG 3.32Å; L19-Q23 WeakPolarHBondContact O-CG 3.32Å; L19-Q23 PolarHBondContact O-N 2.81Å
20H70.1Confident66.2Low130 Ų130115.1 Ų115.160%0.60255%0.548SS*.Hα-helixtrans-67.8-37.6175.3-75.569.3000112.4I16 C17 L18 Q23 A24I16-H20 PolarHBondContact O-N 2.97Å; I16-H20 PolarHBondContact O-ND1 3.33Å; C17-H20 PolarHBondContact O-N 3.32Å; L18-H20 VanDerWaalsContact C-N 3.34Å; L18-H20 PolarHBondContact O-N 3.26Å; H20-Q23 PolarHBondContact O-N 3.46Å; H20-A24 WeakPolarHBondContact O-CB 3.36Å; H20-A24 PolarHBondContact O-N 3.15Å
21L69.9Low65.8Low108 Ų108112.5 Ų112.557%0.56554%0.543SS*.Hα-helixtrans-63.8-44.6172.5-83.7159.8000111.9C17 L18 Q23 A24 E25C17-L21 PolarHBondContact O-N 3.46Å; L18-L21 PolarHBondContact O-N 2.89Å; L21-Q23 VanDerWaalsContact C-N 3.35Å; L21-Q23 PolarHBondContact O-N 3.49Å; L21-A24 PolarHBondContact O-N 2.97Å; L21-E25 PolarHBondContact O-N 2.98Å
22I72.9Confident64.9Low88 Ų88119.2 Ų119.245%0.45156%0.561SS.*Hα-helixtrans-64.5-38.3178.3-68.5162.3000111.4L18 L19 R26L18-I22 WeakPolarHBondContact O-CB 3.24Å; L18-I22 WeakPolarHBondContact O-CD1 3.45Å; L18-I22 VanDerWaalsContact O-CG1 3.24Å; L18-I22 WeakPolarHBondContact O-CG1 3.5Å; L18-I22 PolarHBondContact O-N 3.33Å; L19-I22 PolarHBondContact O-N 3.02Å; I22-R26 PolarHBondContact O-N 3.42Å
23Q65.2Low63.7Low121 Ų121123.3 Ų123.357%0.56558%0.575SS**Hα-helixtrans-64.1-47.3171.5-72.9-72.79.800111.5L19 H20 L21 E25 R26 V27L19-Q23 VanDerWaalsContact O-CG 3.32Å; L19-Q23 WeakPolarHBondContact O-CG 3.32Å; L19-Q23 PolarHBondContact O-N 2.81Å; H20-Q23 PolarHBondContact O-N 3.46Å; L21-Q23 VanDerWaalsContact C-N 3.35Å; L21-Q23 PolarHBondContact O-N 3.49Å; Q23-E25 VanDerWaalsContact C-N 3.32Å; Q23-E25 PolarHBondContact O-N 2.94Å; Q23-R26 PolarHBondContact O-N 3.22Å; Q23-V27 WeakPolarHBondContact O-CG2 3.43Å; Q23-V27 PolarHBondContact O-N 2.99Å
24A63Low62.3Low42 Ų42121 Ų12135%0.34758%0.581SS.*Hα-helixtrans-61.8-37.317800000112.8H20 L21 R28H20-A24 WeakPolarHBondContact O-CB 3.36Å; H20-A24 PolarHBondContact O-N 3.15Å; L21-A24 PolarHBondContact O-N 2.97Å; A24-R28 WeakPolarHBondContact O-CB 3.31Å; A24-R28 VanDerWaalsContact O-CG 3.31Å; A24-R28 WeakPolarHBondContact O-CG 3.49Å; A24-R28 PolarHBondContact O-N 3.32Å
25E62.1Low60.5Low111 Ų111121.3 Ų121.352%0.51959%0.585SS.*Hα-helixtrans-70.1-36.6173.8-73.2-152.212700113L21 Q23 R28 R29L21-E25 PolarHBondContact O-N 2.98Å; Q23-E25 VanDerWaalsContact C-N 3.32Å; Q23-E25 PolarHBondContact O-N 2.94Å; E25-R28 PolarHBondContact O-N 3Å; E25-R29 WeakPolarHBondContact O-CG 3.48Å; E25-R29 PolarHBondContact O-N 2.85Å
26R59.5Low58.6Low172 Ų172123.5 Ų123.565%0.64960%0.597SS**Hα-helixtrans-60.5-45.9171.8-86.5-174.2166.4-165.9-4.5111.7I22 Q23 R28 R29 L30I22-R26 PolarHBondContact O-N 3.42Å; Q23-R26 PolarHBondContact O-N 3.22Å; R26-R28 VanDerWaalsContact C-N 3.34Å; R26-R28 PolarHBondContact O-N 3.46Å; R26-R29 PolarHBondContact O-N 3.18Å; R26-L30 PolarHBondContact O-N 3.33Å
27V62.6Low56.8Low87 Ų87126.2 Ų126.253%0.52762%0.617SS.*Hα-helixtrans-63.5-38.8176.5176.20000111.5Q23 K31Q23-V27 WeakPolarHBondContact O-CG2 3.43Å; Q23-V27 PolarHBondContact O-N 2.99Å; V27-K31 PolarHBondContact O-N 3.03Å
28R61Low55.3Low179 Ų179129.2 Ų129.268%0.67564%0.636SS**Hα-helixtrans-67.3-35.8174.3-74.6175.1-179.4-175.61.1113.3A24 E25 R26 R32A24-R28 WeakPolarHBondContact O-CB 3.31Å; A24-R28 VanDerWaalsContact O-CG 3.31Å; A24-R28 WeakPolarHBondContact O-CG 3.49Å; A24-R28 PolarHBondContact O-N 3.32Å; E25-R28 PolarHBondContact O-N 3Å; R26-R28 VanDerWaalsContact C-N 3.34Å; R26-R28 PolarHBondContact O-N 3.46Å; R28-R32 WeakPolarHBondContact O-CG 3.46Å; R28-R32 PolarHBondContact O-N 3.03Å
29R56.8Low53.3Low174 Ų174130.7 Ų130.766%0.65765%0.654SS**Hα-helixtrans-69.5-43174.6-74.5-173.6-174.2-1482.9111.7E25 R26 K31 R32 Q33E25-R29 WeakPolarHBondContact O-CG 3.48Å; E25-R29 PolarHBondContact O-N 2.85Å; R26-R29 PolarHBondContact O-N 3.18Å; R29-K31 PolarHBondContact O-N 3.18Å; R29-R32 PolarHBondContact O-N 3.38Å; R29-R32 VanDerWaalsContact O-N 3.13Å; R29-Q33 PolarHBondContact O-N 2.94Å; R29-Q33 VanDerWaalsContact O-N 3.13Å
30L50.7Low51.8Low122 Ų122131.3 Ų131.364%0.63967%0.667SS**Hα-helixtrans-60.8-44176-77.9164.8000112.1R26 R32 Q33R26-L30 PolarHBondContact O-N 3.33Å; L30-R32 VanDerWaalsContact C-N 3.3Å; L30-R32 PolarHBondContact O-N 3.36Å; L30-Q33 PolarHBondContact O-N 3.4Å
31K48.5Very low50Low163 Ų163128.5 Ų128.571%0.70967%0.673SS**Hα-helixtrans-61.5-34.6173.5-84-160.8168-166.10113.6V27 R29 Q33 A34V27-K31 PolarHBondContact O-N 3.03Å; R29-K31 PolarHBondContact O-N 3.18Å; K31-Q33 VanDerWaalsContact C-N 3.32Å; K31-Q33 PolarHBondContact O-N 3.18Å; K31-A34 PolarHBondContact O-N 2.86Å
32R48.2Very low48.4Very low198 Ų198130.3 Ų130.375%0.74769%0.689SS**Hα-helixtrans-78.6-7.7177.1-74.9-175.3175.9-165.7-1.8115R28 R29 L30R28-R32 WeakPolarHBondContact O-CG 3.46Å; R28-R32 PolarHBondContact O-N 3.03Å; R29-R32 PolarHBondContact O-N 3.38Å; R29-R32 VanDerWaalsContact O-N 3.13Å; L30-R32 VanDerWaalsContact C-N 3.3Å; L30-R32 PolarHBondContact O-N 3.36Å
33Q41.9Very low46.6Very low160 Ų160135.8 Ų135.875%0.74871%0.709SS**THydrogen-bonded Turntrans-986.6173-68.3-173-68.500112.8R29 L30 K31R29-Q33 PolarHBondContact O-N 2.94Å; R29-Q33 VanDerWaalsContact O-N 3.13Å; L30-Q33 PolarHBondContact O-N 3.4Å; K31-Q33 VanDerWaalsContact C-N 3.32Å; K31-Q33 PolarHBondContact O-N 3.18Å
34A40.4Very low44.8Very low87 Ų87133.4 Ų133.472%0.71972%0.717SS**SBendtrans-1040.1174.400000113.8K31K31-A34 PolarHBondContact O-N 2.86Å
35E35.2Very low43.6Very low162 Ų162137.4 Ų137.476%0.75774%0.739SS**SBendtrans-1123.4-172.5-65.4-179.6132.400113.7
36D33.6Very low42.4Very low149 Ų149136.7 Ų136.780%0.79775%0.753SS**  trans-122.767-170.6-122.2-30000112.9
37V35.7Very low41.2Very low135 Ų135134.1 Ų134.182%0.81876%0.758SS**  trans-136.9117.6162.5-177.70000108.9
38P37.8Very low39.7Very low125 Ų125140.3 Ų140.381%0.81278%0.778SS**  trans-77.8139.6-169.329.6-35.3000113.7
39S32.8Very low38.2Very low124 Ų124135.2 Ų135.287%0.86778%0.781SS**  trans-83.1127173.91790000112.1
40S39Very low37.1Very low120 Ų120133 Ų13384%0.83979%0.786SS**  trans-128.597164.765.30000110.1
41G33.9Very low36Very low71 Ų71132.3 Ų132.373%0.73279%0.787SS**  trans-90.5142.5-174.900000114.5
42V36.4Very low35.3Very low146 Ų146130.7 Ų130.789%0.88579%0.791SS**  trans-127.2142.9159.1-178.10000107.9
43K33.6Very low34.2Very low204 Ų204130 Ų13089%0.88779%0.79SS**  trans-72.8148.4-177.4-66.1175.9179175.70111
44G29.2Very low33.8Very low70 Ų70134.1 Ų134.172%0.72280%0.799SS**  trans-74-156.2-18000000114.5
45P36.5Very low33.3Very low127 Ų127135.6 Ų135.683%0.82580%0.799SS**  cis-110.2176.422.540.9-34.6000115
46A36.7Very low33.2Very low96 Ų96131.2 Ų131.279%0.79380%0.797SS**  trans-69.2149.2174.700000112.9
47P35.8Very low33Very low117 Ų117128.7 Ų128.776%0.7680%0.796SS**  -137.3152.811237.7-27.6000115.4
48F30.8Very low32.8Very low218 Ų218131 Ų13196%0.95680%0.801SS**  trans-6.9128.9167.7-60.2-89000121.1
49G28.3Very low32.7Very low71 Ų71128.4 Ų128.473%0.73280%0.796SS**  trans146.1131.6162.700000111.5
50V34.9Very low32.7Very low127 Ų127129.2 Ų129.277%0.7780%0.796SS**  cis-140.6134.4-1.6174.90000108.7T52V50-T52 PolarHBondContact O-N 3.42Å
51T26.7Very low32.7Very low108 Ų108132.2 Ų132.266%0.66380%0.797SS**  trans-73.2105.6164.625.90000109.5Y53T51-Y53 WeakPolarHBondContact O-CD2 3.43Å; T51-Y53 PolarHBondContact O-N 3.23Å
52T33.4Very low33Very low129 Ų129131.8 Ų131.879%0.79179%0.792SS**  trans-75.273.4176.7-44.30000110.9V50 R54V50-T52 PolarHBondContact O-N 3.42Å; T52-R54 PolarHBondContact O-N 3.02Å; T52-R54 VanDerWaalsContact O-N 3.15Å
53Y26.2Very low33Very low183 Ų183133.7 Ų133.772%0.71879%0.792SS**  trans-58.2116.1164.8-66.9-90.8000109T51 V55T51-Y53 WeakPolarHBondContact O-CD2 3.43Å; T51-Y53 PolarHBondContact O-N 3.23Å; Y53-V55 PolarHBondContact O-N 2.77Å
54R32.9Very low33.6Very low248 Ų248135.6 Ų135.694%0.93679%0.793SS**  trans-74.978.7156.4-87.4-168.1170.1-167.8-1.6108.6T52 G56T52-R54 PolarHBondContact O-N 3.02Å; T52-R54 VanDerWaalsContact O-N 3.15Å; R54-G56 PolarHBondContact O-N 2.89Å
55V30.2Very low34.3Very low118 Ų118134.8 Ų134.872%0.71579%0.785SS**  trans-71.282.6162.6-173.70000107.8Y53Y53-V55 PolarHBondContact O-N 2.77Å
56G33.1Very low34.4Very low69 Ų69134.5 Ų134.571%0.71178%0.783SS**  trans-66.8130.7157.200000108.2R54R54-G56 PolarHBondContact O-N 2.89Å
57A30.2Very low35Very low96 Ų96135.4 Ų135.479%0.79378%0.781SS**  trans-41.3141.4-168.100000115.7G59A57-G59 PolarHBondContact O-N 3.32Å
58M31.5Very low35.5Very low184 Ų184133.5 Ų133.591%0.90678%0.782SS**  trans-57.9109.5168.3-70.3174174.900110.4
59G34.4Very low35.9Very low70 Ų70124.5 Ų124.572%0.72275%0.746SS**  trans-66.9138.6146.100000108.3A57A57-G59 PolarHBondContact O-N 3.32Å
60V34.1Very low36.9Very low141 Ų141124.8 Ų124.886%0.85574%0.735SS**  trans-57142.3-179.6-74.50000111.5G62V60-G62 PolarHBondContact O-N 3.05Å
61Q39.1Very low37.6Very low184 Ų184120.9 Ų120.986%0.8672%0.72SS**  trans-61.7102.1166.6176.4-179.8-16.700108.1E63Q61-E63 PolarHBondContact O-N 3.07Å
62G39.2Very low38.3Very low62 Ų62121.8 Ų121.864%0.63973%0.728SS**  trans-59.3130.2164.700000108.7V60V60-G62 PolarHBondContact O-N 3.05Å
63E35.8Very low39.1Very low186 Ų186122.8 Ų122.887%0.86973%0.728SS**  trans-58.5144.9178.2-63.9-172.312500110.3Q61 G65Q61-E63 PolarHBondContact O-N 3.07Å; E63-G65 PolarHBondContact O-N 3.25Å
64R46.1Very low40.3Very low243 Ų243116.1 Ų116.192%0.91772%0.715SS**  trans-63.7102.8171.4173.1-174-92.2-173-7.1107.4
65G45.2Very low40.7Very low53 Ų53108.8 Ų108.855%0.54670%0.7SS.*PPolyproline II helixtrans-52.1145.117200000111E63E63-G65 PolarHBondContact O-N 3.25Å
66P38.7Very low41.6Very low122 Ų122108.4 Ų108.479%0.79270%0.7SS**PPolyproline II helixtrans-59.1148-176.525-34.3000110.8G68P66-G68 PolarHBondContact O-N 2.95Å
67P49.2Very low42.4Very low114 Ų114107 Ų10774%0.7469%0.685SS**PPolyproline II helixtrans-53127.8-177.1-27.134.8000112.1P69P67-P69 WeakPolarHBondContact O-CD 3.3Å; P67-P69 VanDerWaalsContact O-CG 3.23Å; P67-P69 WeakPolarHBondContact O-CG 3.34Å; P67-P69 VanDerWaalsContact O-N 3.11Å
68G46.3Very low43Very low77 Ų77106.7 Ų106.779%0.79468%0.682SS**  trans-55.5111.2173.500000110.3P66P66-G68 PolarHBondContact O-N 2.95Å
69P38.7Very low43.5Very low29 Ų29103.8 Ų103.819%0.18868%0.68CS.*PPolyproline II helixtrans-74.7163.5-163.2-26.540.2000114.6P67 G71 G647 P648 P649P67-P69 WeakPolarHBondContact O-CD 3.3Å; P67-P69 VanDerWaalsContact O-CG 3.23Å; P67-P69 WeakPolarHBondContact O-CG 3.34Å; P67-P69 VanDerWaalsContact O-N 3.11Å; P69-G71 PolarHBondContact O-N 3.49Å; P69-G647 VanDerWaalsContact CB-C 3.49Å; P69-G647 WeakPolarHBondContact CB-O 3.45Å; P69-G647 VanDerWaalsContact CG-C 3.42Å; P69-P648 VanDerWaalsContact CG-C 3.43Å; P69-P648 WeakPolarHBondContact CG-O 2.91Å; P69-P649 HydrophobicContact CB-CB 4.36Å; P69-P649 HydrophobicContact CB-CG 4.45Å
70P49.9Very low44.1Very low78 Ų78103.9 Ų103.951%0.50668%0.682SS.*PPolyproline II helixtrans-61.2132.5-172-17.628.2000111R646P70-R646 PolarHBondContact O-NH2 3.03Å
71G48.4Very low44.4Very low44 Ų44102.5 Ų102.545%0.45468%0.678SS.*PPolyproline II helixtrans-63.2173.3177.200000113.2P69P69-G71 PolarHBondContact O-N 3.49Å
72P42.2Very low44.7Very low128 Ų12899.8 Ų99.883%0.83168%0.676SS**PPolyproline II helixtrans-65144.6173.729.2-34.8000110.9
73D49.1Very low45.1Very low150 Ų15099.9 Ų99.980%0.80268%0.677SS**PPolyproline II helixtrans-64.8139.5178.2-59.1-71.7000111.6
74G52.2Low45.3Very low43 Ų4396.8 Ų96.844%0.44367%0.673SS.*PPolyproline II helixtrans-70.9138.8178.400000112
75P42Very low45.2Very low94 Ų9491.2 Ų91.261%0.6167%0.669SS**PPolyproline II helixtrans-63.1127.4-173.626-34.8000111.2P595 G596P75-P595 CarbonylContact O-C 3.48Å; P75-P595 VanDerWaalsContact O-C 3.25Å; P75-P595 WeakPolarHBondContact O-CA 3.04Å; P75-P595 WeakPolarHBondContact O-CB 3.41Å; P75-G596 PolarHBondContact O-N 3.46Å
76P48.9Very low45.3Very low110 Ų11092.4 Ų92.471%0.71468%0.681SS**BIsolated β-bridgetrans-53.2140-159.5-32.236.1000118.5P595 G596P76-P595 WeakPolarHBondContact O-CB 3.31Å; P76-G596 CarbonylContact C-O 2.81Å
77G48.8Very low45.5Very low39 Ų3996.6 Ų96.640%0.40269%0.687SS.*PPolyproline II helixtrans-49.2129.8177.300000114.3S79 P595 G596G77-S79 PolarHBondContact O-N 3.13Å; G77-P595 WeakPolarHBondContact CA-O 3.47Å; G77-G596 PolarHBondContact N-O 3.22Å
78A42.8Very low45.4Very low89 Ų8998 Ų9874%0.73669%0.693SS**PPolyproline II helixtrans-61.6133.5174.700000111.2G80A78-G80 PolarHBondContact O-N 3.19Å
79S42.6Very low45.5Very low123 Ų12397.6 Ų97.686%0.8669%0.689SS**PPolyproline II helixtrans-61128.1179.6-60.50000112G77G77-S79 PolarHBondContact O-N 3.13Å
80G47.5Very low46Very low73 Ų7399.3 Ų99.375%0.75371%0.712SS**PPolyproline II helixtrans-65.2147.3165.500000111.2A78A78-G80 PolarHBondContact O-N 3.19Å
81S39.5Very low45.9Very low112 Ų112101.9 Ų101.978%0.78373%0.729SS**PPolyproline II helixtrans-64.5147.7178.550.60000112.4
82P46.1Very low45.8Very low127 Ų127103.2 Ų103.283%0.82574%0.743SS**PPolyproline II helixtrans-56.6137.9174.4-2534.7000113
83G47.5Very low46Very low63 Ų63104.8 Ų104.865%0.64974%0.743SS**PPolyproline II helixtrans-68.7156.1165.900000111.6
84P39.4Very low46.1Very low122 Ų122103.2 Ų103.279%0.79274%0.74SS**PPolyproline II helixtrans-68.9160.5-172.628.4-35.8000113.4
85P45.1Very low46Very low126 Ų126104.3 Ų104.382%0.81875%0.752SS**PPolyproline II helixtrans-54.1148.2179.3-27.435.8000114.4
86G46.7Very low46.1Very low78 Ų78105.9 Ų105.980%0.80476%0.762SS**PPolyproline II helixtrans-61.9143.3-178.700000113.3
87K42.1Very low46.3Very low210 Ų210108.5 Ų108.591%0.91377%0.768SS**PPolyproline II helixtrans-69.6139.6173.1-64.6-175.1179.4-177.60110.2
88T47.1Very low46.3Very low142 Ų142109.6 Ų109.687%0.87178%0.78SS**PPolyproline II helixtrans-56.4140177.2-36.80000111.1
89G48.1Very low46.3Very low70 Ų70113.1 Ų113.172%0.72279%0.785SS**PPolyproline II helixtrans-61.7141.9-176.700000113.3
90G49.9Very low46.8Very low65 Ų65113 Ų11367%0.6778%0.781SS**PPolyproline II helixtrans-70161.5169.100000112
91P48.9Very low46.9Very low132 Ų132112.4 Ų112.486%0.85778%0.775SS**PPolyproline II helixtrans-60.2145.6177.426.4-34.6000111.5
92G46.3Very low47.2Very low72 Ų72112.9 Ų112.974%0.74278%0.776SS**PPolyproline II helixtrans-58.2138.7-173.500000113.5
93I46.2Very low47.5Very low161 Ų161113 Ų11383%0.82678%0.777SS**PPolyproline II helixtrans-61.2130.6174.6-48.2173.4000108.2G95I93-G95 PolarHBondContact O-N 3.48Å
94P50.5Low47.8Very low116 Ų116113.3 Ų113.375%0.75378%0.78SS**PPolyproline II helixtrans-53.1131.2170.4-26.135.2000110.4
95G50.4Low48.1Very low66 Ų66112.3 Ų112.368%0.6878%0.782SS**PPolyproline II helixtrans-54.4141.5-175.400000111.8I93 I97I93-G95 PolarHBondContact O-N 3.48Å; G95-I97 PolarHBondContact O-N 3.36Å
96P44.7Very low48.2Very low127 Ų127114 Ų11483%0.82578%0.784SS**PPolyproline II helixtrans-58.2136.4-17624.6-34.1000110.4G98P96-G98 PolarHBondContact O-N 3.13Å; P96-G98 VanDerWaalsContact O-N 3.09Å
97I52Low48.4Very low166 Ų166113.5 Ų113.585%0.85178%0.779SS**PPolyproline II helixtrans-55120.7167.8-64.7174.6000106.6G95 L99G95-I97 PolarHBondContact O-N 3.36Å; I97-L99 PolarHBondContact O-N 3.09Å
98G48.1Very low48.5Very low62 Ų62113 Ų11364%0.63978%0.776SS**PPolyproline II helixtrans-53.9127.3-17600000110.4P96P96-G98 PolarHBondContact O-N 3.13Å; P96-G98 VanDerWaalsContact O-N 3.09Å
99L44.3Very low48.9Very low162 Ų162112.2 Ų112.285%0.84877%0.774SS**PPolyproline II helixtrans-50.8132.4177-68.6171.8000109.2I97 G101I97-L99 PolarHBondContact O-N 3.09Å; L99-G101 PolarHBondContact O-N 3.43Å; L99-G101 VanDerWaalsContact O-N 3.16Å
100P52.1Low49Very low121 Ų121112 Ų11279%0.78677%0.771SS**PPolyproline II helixtrans-50126.2165.6-25.434.8000108.5
101G50.7Low48.7Very low60 Ų60120.3 Ų120.362%0.61978%0.782SS**PPolyproline II helixtrans-54.6143.1-176.300000110.6L99L99-G101 PolarHBondContact O-N 3.43Å; L99-G101 VanDerWaalsContact O-N 3.16Å
102P44.9Very low48.7Very low123 Ų123121.7 Ų121.780%0.79978%0.782SS**PPolyproline II helixtrans-54.5136.3-179.623.8-33.9000109.4G104P102-G104 PolarHBondContact O-N 3.44Å
103P53.6Low48.9Very low130 Ų130121.8 Ų121.884%0.84478%0.783SS**PPolyproline II helixtrans-48.2127.2175.2-29.335.8000110.3A105P103-A105 PolarHBondContact O-N 3.34Å
104G53.4Low48.4Very low69 Ų69123 Ų12371%0.71179%0.786SS**PPolyproline II helixtrans-56.8130.9-176.700000110.1P102 D106P102-G104 PolarHBondContact O-N 3.44Å; G104-D106 PolarHBondContact O-N 3.17Å
105A44.2Very low48.3Very low101 Ų101122.1 Ų122.184%0.83579%0.788SS**PPolyproline II helixtrans-53.4126.7-174.900000111.2P103 G107P103-A105 PolarHBondContact O-N 3.34Å; A105-G107 PolarHBondContact O-N 3.34Å
106D48.2Very low48.2Very low161 Ų161122.2 Ų122.286%0.86179%0.789SS**PPolyproline II helixtrans-51128.7-176.8-78.1-53000111.3G104 K108G104-D106 PolarHBondContact O-N 3.17Å; D106-K108 PolarHBondContact O-N 3.36Å
107G51.2Low47.8Very low68 Ų68123.9 Ų123.970%0.70179%0.791SS**PPolyproline II helixtrans-58.3127.6179.400000110.1A105A105-G107 PolarHBondContact O-N 3.34Å
108K44.5Very low48.1Very low198 Ų198121.8 Ų121.886%0.86179%0.788SS**PPolyproline II helixtrans-49.3128.6174.6-68.3-179.7179.6178.10109.1D106 G110D106-K108 PolarHBondContact O-N 3.36Å; K108-G110 PolarHBondContact O-N 3.44Å
109P54.7Low48.1Very low127 Ų127122.3 Ų122.383%0.82579%0.793SS**PPolyproline II helixtrans-48.7141.2171.4-29.436.2000110.8
110G51.4Low48Very low64 Ų64120 Ų12066%0.6680%0.798SS**PPolyproline II helixtrans-56.9154-177.700000111.8K108 D112K108-G110 PolarHBondContact O-N 3.44Å; G110-D112 PolarHBondContact O-N 3.03Å; G110-D112 VanDerWaalsContact O-N 3.14Å
111R43.7Very low47.9Very low241 Ų241120.1 Ų120.191%0.90980%0.802SS**  trans-66113.3165.2-76.3-177.6171.2-169.8-3.5108.1
112D47.2Very low47.8Very low160 Ų160120.2 Ų120.286%0.85680%0.803SS**  trans-56.6146.2161.2-69.6-44.2000109.6G110G110-D112 PolarHBondContact O-N 3.03Å; G110-D112 VanDerWaalsContact O-N 3.14Å
113G51Low47.4Very low74 Ų74124.2 Ų124.276%0.76381%0.811SS**  trans-62.7151.4-164.400000114.6A115G113-A115 PolarHBondContact O-N 3.15Å; G113-A115 VanDerWaalsContact O-N 3.11Å
114E35.3Very low47.3Very low187 Ų187124.9 Ų124.987%0.87481%0.812SS**  trans-60.2114175.9-64.4-177.3149.400110.7G116E114-G116 PolarHBondContact O-N 2.9Å
115A49.3Very low47.3Very low97 Ų97124.3 Ų124.380%0.80281%0.806SS**PPolyproline II helixtrans-65119168.900000108.9G113G113-A115 PolarHBondContact O-N 3.15Å; G113-A115 VanDerWaalsContact O-N 3.11Å
116G47.9Very low47.5Very low68 Ų68125.4 Ų125.470%0.70181%0.805SS**PPolyproline II helixtrans-58.4141.8-169.400000114.1E114 P118E114-G116 PolarHBondContact O-N 2.9Å; G116-P118 WeakPolarHBondContact O-CD 3.4Å
117N37.1Very low48.1Very low162 Ų162124 Ų12487%0.86680%0.804SS**PPolyproline II helixtrans-50.4118.7-175.6-65.7-52.8000113
118P58.3Low48.1Very low123 Ų123123.9 Ų123.980%0.79980%0.803SS**PPolyproline II helixtrans-59.4143162.4-21.534.5000110.4G116G116-P118 WeakPolarHBondContact O-CD 3.4Å
119G47.9Very low48.1Very low72 Ų72120.9 Ų120.974%0.74280%0.804SS**PPolyproline II helixtrans-61.1150.5-172.500000114.3S121G119-S121 PolarHBondContact O-N 2.65Å; G119-S121 VanDerWaalsContact O-N 3.16Å
120A41.6Very low48.2Very low115 Ų115120.8 Ų120.895%0.9581%0.806SS**PPolyproline II helixtrans-59.6116.7-179.600000111.8
121S49.9Very low48.1Very low123 Ų123121 Ų12186%0.8681%0.808SS**PPolyproline II helixtrans-97.2148.9166.8-158.30000109.9G119G119-S121 PolarHBondContact O-N 2.65Å; G119-S121 VanDerWaalsContact O-N 3.16Å
122G49.1Very low48.1Very low62 Ų62115.9 Ų115.964%0.63981%0.806SS**PPolyproline II helixtrans-69.1167.9-159.500000116.6V124G122-V124 PolarHBondContact O-N 2.64Å
123E37Very low48.2Very low206 Ų206115.2 Ų115.296%0.96381%0.808SS**PPolyproline II helixtrans-57.2118-179.8-61.1-176.8136.700112.3
124V51Low48Very low144 Ų144114.4 Ų114.487%0.87380%0.8SS**PPolyproline II helixtrans-91.8119.9166.8-179.10000108.2G122G122-V124 PolarHBondContact O-N 2.64Å
125G52.9Low48.3Very low57 Ų57111.5 Ų111.559%0.58880%0.797SS**PPolyproline II helixtrans-64163-17300000115.1
126P48.5Very low48.6Very low124 Ų124113.3 Ų113.381%0.80580%0.801SS**PPolyproline II helixtrans-66.3143.4-172.526.9-35.4000113.1G128P126-G128 PolarHBondContact O-N 2.95Å
127P60.1Low48.4Very low132 Ų132113.7 Ų113.786%0.85781%0.805SS**PPolyproline II helixtrans-58.6131.4172.9-2534.8000112.8
128G51.6Low48.6Very low65 Ų65114.7 Ų114.767%0.6781%0.809SS**PPolyproline II helixtrans-72.8149.8175.500000113.1P126P126-G128 PolarHBondContact O-N 2.95Å
129P45.1Very low47.9Very low135 Ų135118.5 Ų118.588%0.87781%0.813SS**PPolyproline II helixtrans-72.3149.4-172.829.5-36.1000113.7
130S55.9Low48.2Very low126 Ų126117.7 Ų117.788%0.88181%0.805SS**PPolyproline II helixtrans-73.6135.3176.6-49.50000112.6
131G50.5Low48.3Very low67 Ų67118.7 Ų118.769%0.69180%0.802SS**PPolyproline II helixtrans-80.1159.717400000113.8
132P43.4Very low48.3Very low135 Ų135119 Ų11988%0.87780%0.798SS**PPolyproline II helixtrans-80.7149.1-169.832.2-36.5000114.7
133T48.1Very low48.1Very low145 Ų145119.3 Ų119.389%0.8980%0.802SS**PPolyproline II helixtrans-72.1129.3-178-44.50000113.5
134G47.8Very low48.4Very low58 Ų58117.7 Ų117.760%0.59880%0.799SS**PPolyproline II helixtrans-86.6159.9168.600000113.4
135P41.2Very low47.9Very low125 Ų125121 Ų12181%0.81280%0.801SS**PPolyproline II helixtrans-78.4154.8-165.730.8-36.4000114.9
136P54.7Low47.7Very low135 Ų135121.3 Ų121.388%0.87781%0.805SS**PPolyproline II helixtrans-69.1134.6-176.7-19.833.3000114.8
137G45.2Very low47.2Very low76 Ų76125.1 Ų125.178%0.78481%0.809SS**PPolyproline II helixtrans-87.4145.7171.800000113.4
138L41.8Very low46.5Very low184 Ų184128.8 Ų128.896%0.96381%0.811SS**PPolyproline II helixtrans-63.8145.6-169-68.5165.5000115.2
139K43.3Very low46.5Very low203 Ų203129 Ų12988%0.88381%0.813SS**PPolyproline II helixtrans-68.6129.6-178.6-176.4178.4-178.3177.50112.8
140G53.9Low46.4Very low55 Ų55131.2 Ų131.257%0.56781%0.812SS**PPolyproline II helixtrans-75.8159.8174.400000114.5
141P44.1Very low46.2Very low136 Ų136136.7 Ų136.788%0.88381%0.813SS**PPolyproline II helixtrans-74.5154-179.331.4-35.7000113.1
142V49.3Very low46.2Very low128 Ų128136.4 Ų136.478%0.77681%0.81SS**PPolyproline II helixtrans-81.7127.8-175176.60000112
143G45.4Very low46.3Very low70 Ų70137.2 Ų137.272%0.72281%0.807SS**PPolyproline II helixtrans-101.2135.8165.600000111.6K145G143-K145 PolarHBondContact O-N 2.94Å
144L43Very low46.9Very low172 Ų172136.2 Ų136.290%0.90180%0.803SS**  trans-86.3104.9-168.1-67.8167.7000114
145K39.2Very low46.8Very low212 Ų212136.9 Ų136.992%0.92281%0.81SS**  trans-163.3128.6154.9-155.4172.5-175178.40110.2G143G143-K145 PolarHBondContact O-N 2.94Å
146G49.3Very low47Very low65 Ų65142.7 Ų142.767%0.6782%0.816SS**  cis-159176.4-10.800000109.1K148G146-K148 PolarHBondContact O-N 2.9Å
147K37.3Very low46.7Very low204 Ų204143.7 Ų143.789%0.88781%0.814SS**  trans-62.2105.8178.6-72.1-167174.4-163.70110.7
148K46Very low46.6Very low209 Ų209143.8 Ų143.891%0.90982%0.815SS**PPolyproline II helixtrans-76.9128.6160.3-168.4173.2-177.9179.20106.7G146G146-K148 PolarHBondContact O-N 2.9Å
149G51.1Low46.7Very low69 Ų69141.8 Ų141.871%0.71181%0.81SS**PPolyproline II helixtrans-57.6144.1-162.200000114.5
150E44.6Very low46.9Very low181 Ų181140.7 Ų140.785%0.84681%0.808SS**PPolyproline II helixtrans-56.6140.4161.7-73.5148.8172.100108.8G152E150-G152 PolarHBondContact O-N 2.97Å
151R50.8Low46.6Very low242 Ų242141.6 Ų141.691%0.91382%0.817SS**  trans-66.5108.3168.4175.1-175.9-69.2170.8-2.9106
152G50.7Low46.6Very low61 Ų61143.1 Ų143.163%0.62982%0.816SS**PPolyproline II helixtrans-55.6142.1179.600000111.3E150E150-G152 PolarHBondContact O-N 2.97Å
153D45.5Very low46.5Very low152 Ų152148.1 Ų148.181%0.81382%0.821SS**PPolyproline II helixtrans-54.6145.3172.7-61.6-56.3000110.1G155D153-G155 PolarHBondContact O-N 3.39Å
154P60Low46.7Very low123 Ų123148 Ų14880%0.79982%0.82SS**PPolyproline II helixtrans-50.2130.6165.3-24.834.9000109.7R156P154-R156 PolarHBondContact O-N 3.27Å
155G46.7Very low46.7Very low73 Ų73147.4 Ų147.475%0.75382%0.818SS**PPolyproline II helixtrans-56127.7-174.500000110.9D153 D157D153-G155 PolarHBondContact O-N 3.39Å; G155-D157 PolarHBondContact O-N 2.94Å
156R46.1Very low46.7Very low246 Ų246145.4 Ų145.493%0.92882%0.816SS**PPolyproline II helixtrans-61133.4170.1-66.1-177.2179-166.3-1.6108.6P154 G158P154-R156 PolarHBondContact O-N 3.27Å; R156-G158 PolarHBondContact O-N 2.85Å
157D46.9Very low46.6Very low157 Ų157145.7 Ų145.784%0.8482%0.818SS**PPolyproline II helixtrans-54.2136.3172.3-64.9-59.9000110.4G155 V159G155-D157 PolarHBondContact O-N 2.94Å; D157-V159 PolarHBondContact O-N 2.91Å
158G44.2Very low46.9Very low77 Ų77140.4 Ų140.479%0.79481%0.813SS**  trans-67.4114.7-176.200000110.8R156 E160R156-G158 PolarHBondContact O-N 2.85Å; G158-E160 PolarHBondContact O-N 2.02Å
159V43.8Very low46.9Very low142 Ų142136.9 Ų136.986%0.86181%0.811SS**  trans-59.5129.8171-177.10000108.8D157 G161D157-V159 PolarHBondContact O-N 2.91Å; V159-G161 PolarHBondContact O-N 2.9Å
160E47.3Very low46.5Very low180 Ų180137 Ų13784%0.84181%0.813SS**  trans-55.9129-180-170.4174.8-172.400110.9G158 I162G158-E160 PolarHBondContact O-N 2.02Å; E160-I162 PolarHBondContact O-N 3.11Å
161G46.6Very low46.3Very low74 Ų74137.3 Ų137.376%0.76382%0.819SS**  trans-71.497.4-172.300000112V159 R163V159-G161 PolarHBondContact O-N 2.9Å; G161-R163 PolarHBondContact O-N 3.48Å
162I44.3Very low46.2Very low169 Ų169135 Ų13587%0.86782%0.821SS**PPolyproline II helixtrans-52.8130.7173.349.4172.9000111.5E160 G164E160-I162 PolarHBondContact O-N 3.11Å; I162-G164 PolarHBondContact O-N 3.21Å
163R48.3Very low45.8Very low232 Ų232135.5 Ų135.588%0.87583%0.826SS**PPolyproline II helixtrans-54.7118.4178.5179.1-176.9-171.9156.71.3110.5G161G161-R163 PolarHBondContact O-N 3.48Å
164G49.9Very low45.8Very low68 Ų68140.5 Ų140.570%0.70183%0.833SS**PPolyproline II helixtrans-69.5137.2175.400000112.6I162I162-G164 PolarHBondContact O-N 3.21Å
165D42.2Very low45Very low160 Ų160141.8 Ų141.886%0.85684%0.84SS**PPolyproline II helixtrans-72.6155.3-177.8-65.6-62.4000114.2G167D165-G167 PolarHBondContact O-N 3.12Å
166I40Very low44.7Very low170 Ų170142.1 Ų142.187%0.87284%0.843SS**  trans-8396.5-177.5-59.6175.3000109.9
167G47.1Very low44.7Very low70 Ų70135.7 Ų135.772%0.72284%0.842SS**PPolyproline II helixtrans-73.7139.3166.400000112.3D165D165-G167 PolarHBondContact O-N 3.12Å
168A42.1Very low44.5Very low94 Ų94140.3 Ų140.378%0.77785%0.848SS**PPolyproline II helixtrans-72.7156.1-167.800000115.2
169P45.9Very low44.6Very low134 Ų134140.4 Ų140.487%0.8785%0.848SS**PPolyproline II helixtrans-80.5127.1-172.2-12.529.9000114.9
170G43.4Very low44.8Very low73 Ų73137.3 Ų137.375%0.75385%0.846SS**  trans58.8118.7133.900000121.3
171L41.5Very low44.8Very low187 Ų187136 Ų13698%0.97985%0.85SS**  trans-109.3151.5147.1-81.2172.7000110.3
172M47.4Very low45.4Very low194 Ų194135.3 Ų135.396%0.95684%0.842SS**  trans-126.3139.2-155.6-171-158.2-53.500113.4
173G43.4Very low45.8Very low71 Ų71133.4 Ų133.473%0.73284%0.841SS**  trans160138.716500000111.8
174R45.1Very low45.8Very low256 Ų256127.3 Ų127.397%0.96684%0.84SS**  cis-143.6157.6-0.9-104.1175.6156.9-171.3-6.3109.1
175T42.4Very low46.3Very low151 Ų151127 Ų12793%0.92684%0.837SS**  trans-97146.7-173.643.60000115.1
176G41.5Very low46.7Very low80 Ų80125.9 Ų125.983%0.82584%0.838SS**  trans155.8132.6164.500000112.4
177A44.6Very low47.4Very low110 Ų110123.3 Ų123.391%0.90984%0.836SS**  cis-149.9156.8-5.500000113.6
178R42.6Very low47.8Very low255 Ų255123.4 Ų123.496%0.96284%0.836SS**  trans-37.4141.1-178.4-177.5-173.8-166.4170.94.5120.1
179G47.5Very low48.2Very low78 Ų78125.1 Ų125.180%0.80484%0.837SS**  trans155.3134.4150.400000112.3
180G48.4Very low48.9Very low78 Ų78124.5 Ų124.580%0.80483%0.833SS**  cis-158.2163.5-8.600000109.4
181V47.7Very low49.4Very low153 Ų153124.5 Ų124.593%0.92783%0.834SS**PPolyproline II helixtrans-76.9130.5-168.3177.90000112.9
182G57.8Low49.6Very low58 Ų58124.6 Ų124.660%0.59883%0.829SS**PPolyproline II helixtrans-100.9149.1158.500000111.1
183P53.3Low49.8Very low130 Ų130122.1 Ų122.184%0.84483%0.825SS**PPolyproline II helixtrans-71.5156-173.829.8-35.7000113.3
184A48.9Very low50.3Low103 Ų103121.3 Ų121.385%0.85182%0.816SS**PPolyproline II helixtrans-69.4135.3-179.200000112.6
185G59.7Low50.5Low63 Ų63115.2 Ų115.265%0.64981%0.81SS**PPolyproline II helixtrans-71.5162162.300000111.7
186P50.7Low51.1Low135 Ų135112.6 Ų112.688%0.87780%0.803SS**PPolyproline II helixtrans-63.5151.2-174.626.6-35.1000112.7G188P186-G188 PolarHBondContact O-N 3.31Å
187S55.3Low51.5Low117 Ų117112 Ų11282%0.81880%0.797SS**PPolyproline II helixtrans-54.7133.5176.9-61.70000111.6
188G54.5Low51.6Low71 Ų71111.6 Ų111.673%0.73279%0.794SS**PPolyproline II helixtrans-58.4140.3163.700000109.8P186P186-G188 PolarHBondContact O-N 3.31Å
189T51.5Low52Low130 Ų130106.9 Ų106.980%0.79879%0.788SS**PPolyproline II helixtrans-51.5138.5171.546.40000110.1G191T189-G191 PolarHBondContact O-N 2.87Å
190P59.4Low52.1Low121 Ų121106.4 Ų106.479%0.78678%0.783SS**PPolyproline II helixtrans-50.1130.4177.6-26.734.8000111.2Q192P190-Q192 PolarHBondContact O-N 3.36Å
191G54.5Low51.7Low74 Ų74110.7 Ų110.776%0.76379%0.787SS**PPolyproline II helixtrans-55.8125.1173.300000108.9T189 V193T189-G191 PolarHBondContact O-N 2.87Å; G191-V193 PolarHBondContact O-N 3.41Å
192Q45.6Very low51.9Low188 Ų188109.1 Ų109.188%0.87978%0.78SS**PPolyproline II helixtrans-54.9140.3174.4-72.9-178.5-19.100108.8P190 G194P190-Q192 PolarHBondContact O-N 3.36Å; Q192-G194 PolarHBondContact O-N 3.3Å; Q192-G194 VanDerWaalsContact O-N 3.09Å
193V51Low51.6Low143 Ų143109.9 Ų109.987%0.86779%0.787SS**PPolyproline II helixtrans-48.9121.7176.6179.20000107.8G191G191-V193 PolarHBondContact O-N 3.41Å
194G54.9Low51.2Low54 Ų54108.4 Ų108.456%0.55779%0.787SS**PPolyproline II helixtrans-53.4138.3179.800000109.4Q192 A196Q192-G194 PolarHBondContact O-N 3.3Å; Q192-G194 VanDerWaalsContact O-N 3.09Å; G194-A196 PolarHBondContact O-N 3.3Å
195P49Very low51.3Low127 Ų127112.2 Ų112.283%0.82579%0.787SS**PPolyproline II helixtrans-53142.5-178.622.9-33.5000109.7
196A54.4Low51.2Low96 Ų96111.5 Ų111.579%0.79378%0.779SS**PPolyproline II helixtrans-50.7145.6178.600000110.2G194 A198G194-A196 PolarHBondContact O-N 3.3Å; A196-A198 PolarHBondContact O-N 3.11Å
197G50.7Low51.3Low68 Ų68110.9 Ų110.970%0.70178%0.775SS**PPolyproline II helixtrans-51132.9-17600000110.7D199G197-D199 PolarHBondContact O-N 3.22Å; G197-D199 VanDerWaalsContact O-N 3.09Å
198A45.2Very low51.6Low102 Ų102110.8 Ų110.884%0.84377%0.772SS**PPolyproline II helixtrans-52.6119.7-175.500000110.1A196 G200A196-A198 PolarHBondContact O-N 3.11Å; A198-G200 PolarHBondContact O-N 3.18Å
199D52.1Low51.5Low155 Ų155110.3 Ų110.383%0.82977%0.767SS**PPolyproline II helixtrans-52131178.1-73-60000109.3G197 L201G197-D199 PolarHBondContact O-N 3.22Å; G197-D199 VanDerWaalsContact O-N 3.09Å; D199-L201 PolarHBondContact O-N 3.02Å
200G49.1Very low51.6Low69 Ų69110.2 Ų110.271%0.71177%0.769SS**PPolyproline II helixtrans-55.3126-177.800000109.8A198 P202A198-G200 PolarHBondContact O-N 3.18Å; G200-P202 WeakPolarHBondContact O-CD 3.29Å
201L40.1Very low51.8Low168 Ų168113 Ų11388%0.8877%0.771SS**  trans-39.7114.2-175.5-73172.8000110.3D199 G203D199-L201 PolarHBondContact O-N 3.02Å; L201-G203 PolarHBondContact O-N 3.09Å
202P53.2Low51.6Low119 Ų119112.3 Ų112.377%0.77376%0.764SS**  trans-53.1119.9179.1-28.936000109G200 A204G200-P202 WeakPolarHBondContact O-CD 3.29Å; P202-A204 PolarHBondContact O-N 3.06Å; P202-A204 VanDerWaalsContact O-N 3.16Å
203G51.6Low51.8Low74 Ų74111 Ų11176%0.76376%0.763SS**  trans-51.5125.2-173.300000109.6L201 Q205L201-G203 PolarHBondContact O-N 3.09Å; G203-Q205 PolarHBondContact O-N 3.01Å
204A43.5Very low52.4Low100 Ų100109.7 Ų109.783%0.82676%0.757SS**  trans-44.1113.5-165.700000110.8P202 G206P202-A204 PolarHBondContact O-N 3.06Å; P202-A204 VanDerWaalsContact O-N 3.16Å; A204-G206 PolarHBondContact O-N 3.45Å
205Q51.8Low52.3Low183 Ų183110.5 Ų110.586%0.85577%0.765SS**PPolyproline II helixtrans-55.1118.1-172.8-175.1176.15.100108.1G203G203-Q205 PolarHBondContact O-N 3.01Å
206G56.3Low52.4Low48 Ų48113.2 Ų113.250%0.49577%0.766SS.*PPolyproline II helixtrans-53146.1179.100000109.8A204A204-G206 PolarHBondContact O-N 3.45Å
207P52.9Low52.9Low121 Ų121114.8 Ų114.879%0.78677%0.769SS**PPolyproline II helixtrans-49.7131.7-179.922.6-33.8000108.5G209P207-G209 PolarHBondContact O-N 2.99Å
208P61.7Low53.1Low116 Ų116114.8 Ų114.875%0.75377%0.769SS**PPolyproline II helixtrans-46.6122.2-174.8-31.135.5000110
209G54.1Low53.2Low61 Ų61114.8 Ų114.863%0.62977%0.769SS**PPolyproline II helixtrans-50.7133.1-177.300000108.7P207 Q211P207-G209 PolarHBondContact O-N 2.99Å; G209-Q211 PolarHBondContact O-N 3.16Å; G209-Q211 VanDerWaalsContact O-N 3.09Å
210P53.2Low53.7Low128 Ų128115.3 Ų115.383%0.83177%0.77SS**PPolyproline II helixtrans-51.7125.6-173.121.9-33.5000108.3G212P210-G212 PolarHBondContact O-N 3.03Å
211Q63.3Low54.1Low178 Ų178114.3 Ų114.383%0.83276%0.76SS**PPolyproline II helixtrans-46.2119.9-174.4176.5179-14.100108.3G209 L213G209-Q211 PolarHBondContact O-N 3.16Å; G209-Q211 VanDerWaalsContact O-N 3.09Å; Q211-L213 PolarHBondContact O-N 3.18Å
212G50.3Low54.7Low60 Ų60112.7 Ų112.762%0.61976%0.759SS**PPolyproline II helixtrans-50.2128.4-176.300000109P210P210-G212 PolarHBondContact O-N 3.03Å
213L49Very low55.1Low162 Ų162113.5 Ų113.585%0.84876%0.762SS**PPolyproline II helixtrans-48.3132.7177.7-69.2172.6000107.9Q211 G215Q211-L213 PolarHBondContact O-N 3.18Å; L213-G215 PolarHBondContact O-N 3.29Å
214P64.5Low55.3Low115 Ų115113.1 Ų113.175%0.74776%0.758SS**PPolyproline II helixtrans-48.7122.1174.4-26.934.8000108.5E216P214-E216 PolarHBondContact O-N 3.31Å
215G53.2Low55Low70 Ų70116 Ų11672%0.72276%0.76SS**PPolyproline II helixtrans-53.7134-174.500000109.7L213L213-G215 PolarHBondContact O-N 3.29Å
216E50.1Low54.7Low184 Ų184114.6 Ų114.686%0.8675%0.753SS**PPolyproline II helixtrans-51.4131.2179.9-65.4-172.5135.200109P214 G218P214-E216 PolarHBondContact O-N 3.31Å; E216-G218 PolarHBondContact O-N 3.2Å
217P64.4Low54.2Low129 Ų129116.1 Ų116.184%0.83877%0.769SS**PPolyproline II helixtrans-51.8117-179.9-28.835.8000110A219P217-A219 PolarHBondContact O-N 3.09Å
218G54.9Low53.5Low69 Ų69117.5 Ų117.571%0.71177%0.765SS**PPolyproline II helixtrans-53.1132.8-172.400000110.8E216 I220E216-G218 PolarHBondContact O-N 3.2Å; G218-I220 PolarHBondContact O-N 3.19Å
219A48.2Very low52.6Low102 Ų102118.5 Ų118.584%0.84377%0.769SS**PPolyproline II helixtrans-49.4125-175.400000110.5P217 G221P217-A219 PolarHBondContact O-N 3.09Å; A219-G221 PolarHBondContact O-N 3.27Å
220I62.9Low52Low165 Ų165119.2 Ų119.285%0.84678%0.776SS**  trans-59.9111-179.9-63.8175.3000107.4G218G218-I220 PolarHBondContact O-N 3.19Å
221G56.8Low51.2Low48 Ų48121.4 Ų121.450%0.49578%0.776SS.*PPolyproline II helixtrans-61144.2176.400000110.2A219 T223A219-G221 PolarHBondContact O-N 3.27Å; G221-T223 PolarHBondContact O-N 3.41Å; G221-T223 VanDerWaalsContact O-N 3.15Å
222P52.2Low50.3Low134 Ų134119.5 Ų119.587%0.8778%0.776SS**PPolyproline II helixtrans-59.9121.5177.625.4-33.5000109.6G224P222-G224 PolarHBondContact O-N 2.75Å
223T61.6Low49.9Very low137 Ų137119.7 Ų119.784%0.8478%0.777SS**PPolyproline II helixtrans-63118.9172.5-57.40000108.4G221G221-T223 PolarHBondContact O-N 3.41Å; G221-T223 VanDerWaalsContact O-N 3.15Å
224G56Low49.4Very low66 Ų66120.1 Ų120.168%0.6878%0.779SS**PPolyproline II helixtrans-67.4155.6-17400000114.1P222P222-G224 PolarHBondContact O-N 2.75Å
225D38.6Very low48.2Very low159 Ų159126.8 Ų126.885%0.8579%0.789SS**PPolyproline II helixtrans-71.1136.5-171.2-58.1-71.4000114.5
226Q44.7Very low47.7Very low154 Ų154127 Ų12772%0.7279%0.791SS**  trans40120.1144-166.7165.5-8.500120.6E228Q226-E228 HydrophobicContact CG-CG 3.92Å; Q226-E228 PolarHBondContact NE2-OE1 3.09Å
227G46.3Very low47.3Very low81 Ų81122 Ų12284%0.83579%0.789SS**  trans-125.8137.6153.300000109.9
228E38.7Very low46.5Very low150 Ų150123.2 Ų123.270%0.70179%0.794SS**  trans-105.8145.1-164.2-65.7-163.3129.800115.9Q226Q226-E228 HydrophobicContact CG-CG 3.92Å; Q226-E228 PolarHBondContact NE2-OE1 3.09Å
229V40.8Very low45.9Very low136 Ų136123 Ų12382%0.82479%0.792SS**  trans64133.41451730000120.6
230G43Very low46Very low77 Ų77127.8 Ų127.879%0.79480%0.797SS**  trans178.2111.3163.300000111
231E35.8Very low45.7Very low174 Ų174126.1 Ų126.181%0.81380%0.797SS**  trans-108.5171.6-163.9-65.7-170.297.900116.4
232V44.4Very low45Very low138 Ų138127.6 Ų127.684%0.83681%0.812SS**  trans78.5130.4159.9-163.70000117.7
233G41.2Very low45Very low63 Ų63131.3 Ų131.365%0.64981%0.814SS**  cis164161.8-12.800000117.6
234I38.5Very low44.2Very low172 Ų172130.9 Ų130.988%0.88281%0.814SS**  trans59.3148.715248.9170000124.5
235R40.3Very low43.8Very low254 Ų254131 Ų13196%0.95881%0.814SS**  trans79.9133.5169.8-171.7-175.3-95.7-172.2-5.9115.8
236G42.1Very low44.3Very low74 Ų74131.5 Ų131.576%0.76382%0.817SS**  cis-180150-600000110.2
237G42.4Very low44.2Very low80 Ų80130.3 Ų130.383%0.82582%0.815SS**  trans-120.5170.4-158.800000119
238V46.2Very low44.1Very low155 Ų155128.8 Ų128.894%0.93980%0.799SS**  trans-156.2150.2172.1-178.90000105.8
239G42.4Very low44.6Very low64 Ų64130 Ų13066%0.6680%0.802SS**  cis153.5144-2.800000110.2
240E51.7Low44.9Very low203 Ų203129.9 Ų129.995%0.94980%0.804SS**  trans-84.3143.2-175.4-71.3-162.214200114.8
241P56.7Low45.2Very low130 Ų130129.6 Ų129.684%0.84480%0.802SS**  trans-119.1146.9149.3220.5000113.3
242G41.1Very low45.9Very low79 Ų79132.8 Ų132.881%0.81481%0.806SS**  trans-100.5-177.5-173.600000117.6
243K51.6Low45.7Very low211 Ų211132.2 Ų132.292%0.91781%0.805SS**  trans-74.7155-175.6-53.1170.6-174.9173.10113.5
244P46.1Very low45.9Very low129 Ų129132.4 Ų132.484%0.83881%0.807SS**  -150.6173.5111.537.4-20.1000117
245G48Very low45.8Very low67 Ų67132.9 Ų132.969%0.69181%0.806SS**  trans-109.2-160.7162.700000111.4
246L47.5Very low45.8Very low171 Ų171129 Ų12990%0.89580%0.798SS**  cis-156.6-169.11.5-58.1169.9000107.2
247D42.4Very low45.6Very low128 Ų128128.8 Ų128.868%0.68480%0.796SS**  cis-137.8-134.9-11.8-165.326000105.6K249D247-K249 IonicContact OD1-NZ 2.75Å; D247-K249 IonicContact OD2-NZ 2.75Å; D247-K249 PolarHBondContact OD2-NZ 3.35Å
248G45.3Very low45.4Very low49 Ų49132.5 Ų132.551%0.50580%0.796SS.*  cis176.270.1-4.300000118.9
249K49.3Very low45.2Very low176 Ų176133.8 Ų133.877%0.76579%0.791SS**  trans74.4164.3155-51.4137.7-170.5142.70116.5D247D247-K249 IonicContact OD1-NZ 2.75Å; D247-K249 IonicContact OD2-NZ 2.75Å; D247-K249 PolarHBondContact OD2-NZ 3.35Å
250P46.9Very low45.6Very low134 Ų134133.8 Ų133.887%0.8779%0.791SS**  -139.4171.491.533.8-16.8000115.8
251G50.3Low45Very low71 Ų71130 Ų13073%0.73278%0.784SS**  trans-118.2-164.2167.200000110.8
252R49.1Very low44.8Very low240 Ų240130 Ų13091%0.90678%0.784SS**  cis-143.4-166.62.4-65.5179.5169.8-174.1-3108.8
253P41.3Very low45.1Very low127 Ų127129.6 Ų129.683%0.82578%0.78SS**  -139.3176.986.923.3-1.1000115.7
254G45.1Very low44.5Very low66 Ų66128.9 Ų128.968%0.6878%0.777SS**  trans-83-170.7166.400000112.2
255E35.8Very low44.4Very low183 Ų183130.8 Ų130.886%0.85578%0.78SS**  cis-151.4174.221.9-79.2-178.4150.100109.4
256Q40Very low44.1Very low172 Ų172131.2 Ų131.280%0.80479%0.785SS**  cis-170.3128.5-25166.1178.6-64.400109.5
257G38.7Very low43.8Very low70 Ų70131.9 Ų131.972%0.72279%0.787SS**  trans66164.9160.200000117.6
258I38.2Very low44Very low158 Ų158135 Ų13581%0.8180%0.798SS**  cis-149.8178.7-10.259.2173.3000106.4
259Q42.6Very low44.1Very low182 Ų182136.1 Ų136.185%0.8581%0.81SS**  cis-159160.26.8-164177-900109
260G49.5Very low43.7Very low64 Ų64137.2 Ų137.266%0.6682%0.817SS**  trans113.8132.415700000116.3
261P38.8Very low43.9Very low122 Ų122140.8 Ų140.879%0.79282%0.819SS**  trans-98143.1-173.736-33.3000114.6
262P52.8Low43.8Very low130 Ų130140.4 Ų140.484%0.84482%0.815SS**  trans-65.1127.9152.2-1731.9000110
263G48.3Very low43.4Very low72 Ų72137 Ų13774%0.74282%0.815SS**  trans-94.1111.3-175.400000114.1
264K38.4Very low44.1Very low195 Ų195139 Ų13985%0.84882%0.817SS**  trans47100.2143.7-55.6-179.2-176.8-178.90118.4
265D44.6Very low44.1Very low169 Ų169139 Ų13990%0.90482%0.816SS**  trans44.3113133-47.5-27.6000120.3
266G40.4Very low44.4Very low77 Ų77140.3 Ų140.379%0.79482%0.82SS**  trans-148.2109.9160.900000110.7
267I42.7Very low45Very low184 Ų184143.2 Ų143.294%0.94482%0.824SS**  trans-69.8132.5175.545.6168.2000111
268Q46Very low45.5Very low194 Ų194142.8 Ų142.891%0.90782%0.819SS**  trans-147.1127.4178.7-172.4175.44.100113.5
269G48.5Very low45.7Very low73 Ų73139.8 Ų139.875%0.75382%0.818SS**  trans82124152.700000117.1
270Q38.9Very low46.7Very low198 Ų198136.8 Ų136.893%0.92581%0.814SS**  trans-70.2145.8158.7-72176.3-21.300109.6G272Q270-G272 PolarHBondContact O-N 3.26Å
271K51.1Low47Very low210 Ų210136.7 Ų136.791%0.91381%0.813SS**  trans-69.7115.3173.1177.9-178.9173.6-176.30109.2
272G48.4Very low47.6Very low62 Ų62137.1 Ų137.164%0.63982%0.816SS**  trans-68.5168.2179.800000114.5Q270Q270-G272 PolarHBondContact O-N 3.26Å
273D40.6Very low47.9Very low168 Ų168139.7 Ų139.790%0.89882%0.816SS**  trans-65165.3-176-67.5-69000114.6G275D273-G275 PolarHBondContact O-N 2.68Å
274I55.8Low48Very low170 Ų170139.2 Ų139.287%0.87281%0.812SS**  trans-68.2104.1-179.4-59.3172.5000109.3F276I274-F276 PolarHBondContact O-N 3.4Å
275G47.1Very low48.3Very low65 Ų65138.5 Ų138.567%0.6781%0.814SS**  trans-56.1135.4176.300000112.4D273 R277D273-G275 PolarHBondContact O-N 2.68Å; G275-R277 PolarHBondContact O-N 3.18Å
276F41.5Very low49.3Very low211 Ų211136 Ų13693%0.92581%0.807SS**  trans-57.5127.6177.9-76.1-90.3000110.7I274 G278I274-F276 PolarHBondContact O-N 3.4Å; F276-G278 PolarHBondContact O-N 2.96Å
277R52.3Low50Low234 Ų234135.3 Ų135.388%0.88380%0.8SS**  trans-58.7110.4172.8-175-177.2-169.4176.34.4108.6G275 A279G275-R277 PolarHBondContact O-N 3.18Å; R277-A279 PolarHBondContact O-N 2.75Å
278G48.4Very low50.4Low61 Ų61132.9 Ų132.963%0.62980%0.796SS**PPolyproline II helixtrans-52.2139.1176.100000110.9F276F276-G278 PolarHBondContact O-N 2.96Å
279A42.9Very low50.5Low95 Ų95134.8 Ų134.879%0.78580%0.795SS**PPolyproline II helixtrans-55.8132.4175.600000109.2R277 G281R277-A279 PolarHBondContact O-N 2.75Å; A279-G281 PolarHBondContact O-N 3.04Å
280P63.3Low50.7Low119 Ų119134.2 Ų134.277%0.77379%0.789SS**PPolyproline II helixtrans-52.5132.2169.3-24.534.3000109.2
281G56.6Low51.1Low61 Ų61129.2 Ų129.263%0.62978%0.781SS**PPolyproline II helixtrans-55.9145.6173.500000109.9A279 E283A279-G281 PolarHBondContact O-N 3.04Å; G281-E283 PolarHBondContact O-N 2.89Å
282P51.6Low51.5Low132 Ų132124.9 Ų124.986%0.85777%0.774SS**PPolyproline II helixtrans-54.7126.5179.523.8-33.6000109.3G284P282-G284 PolarHBondContact O-N 2.85Å; P282-G284 VanDerWaalsContact O-N 3.14Å
283E57.8Low51.7Low183 Ų183125.3 Ų125.386%0.85578%0.779SS**PPolyproline II helixtrans-55.5121.6-177.6-171.9173.7-172.800109.1G281 M285G281-E283 PolarHBondContact O-N 2.89Å; E283-M285 PolarHBondContact O-N 2.96Å
284G51Low52.1Low63 Ų63124 Ų12465%0.64978%0.777SS**PPolyproline II helixtrans-58.6123.3-171.800000110.2P282 P286P282-G284 PolarHBondContact O-N 2.85Å; P282-G284 VanDerWaalsContact O-N 3.14Å; G284-P286 WeakPolarHBondContact O-CD 3.48Å; G284-P286 VanDerWaalsContact O-N 3.09Å
285M44.7Very low51.6Low179 Ų179121.8 Ų121.888%0.88278%0.777SS**  trans-45.6119.3-176.3-70.2-17571.800110.3E283 G287E283-M285 PolarHBondContact O-N 2.96Å; M285-G287 PolarHBondContact O-N 2.83Å; M285-G287 VanDerWaalsContact O-N 3.11Å
286P65.6Low51.5Low118 Ų118122.1 Ų122.177%0.76678%0.781SS**PPolyproline II helixtrans-53122.8-177.7-30.436.2000110.7G284G284-P286 WeakPolarHBondContact O-CD 3.48Å; G284-P286 VanDerWaalsContact O-N 3.09Å
287G55.3Low51.6Low62 Ų62117.6 Ų117.664%0.63978%0.775SS**PPolyproline II helixtrans-53.1139.5-176.900000110.7M285 R289M285-G287 PolarHBondContact O-N 2.83Å; M285-G287 VanDerWaalsContact O-N 3.11Å; G287-R289 PolarHBondContact O-N 3.48Å
288P50.4Low51.6Low132 Ų132112.8 Ų112.886%0.85777%0.774SS**PPolyproline II helixtrans-54.7117-170.921.4-33.2000110.2G290P288-G290 PolarHBondContact O-N 2.86Å
289R49.7Very low51.4Low235 Ų235113.5 Ų113.589%0.88778%0.781SS**  trans-50115.4-173.4-178.6178.6-178.4172.71.7109.6G287 A291G287-R289 PolarHBondContact O-N 3.48Å; R289-A291 PolarHBondContact O-N 2.92Å
290G52.6Low51.4Low61 Ų61118 Ų11863%0.62979%0.786SS**PPolyproline II helixtrans-51.5138.5179.300000111P288P288-G290 PolarHBondContact O-N 2.86Å
291A46.7Very low50.6Low93 Ų93121.4 Ų121.477%0.76979%0.792SS**PPolyproline II helixtrans-53.1134.6-178.800000110.1R289 G293R289-A291 PolarHBondContact O-N 2.92Å; A291-G293 PolarHBondContact O-N 3.47Å
292P60Low49.9Very low118 Ų118121.2 Ų121.277%0.76679%0.79SS**PPolyproline II helixtrans-52.5126.2179.7-27.835.4000111.2T294P292-T294 PolarHBondContact O-N 3.01Å
293G50.9Low49.2Very low72 Ų72121.7 Ų121.774%0.74279%0.79SS**PPolyproline II helixtrans-59.9128.4-175.800000111.5A291 S295A291-G293 PolarHBondContact O-N 3.47Å; G293-S295 PolarHBondContact O-N 2.82Å
294T49.9Very low48.3Very low139 Ų139123.1 Ų123.185%0.85379%0.794SS**PPolyproline II helixtrans-63.2117173.848.80000109.6P292 G296P292-T294 PolarHBondContact O-N 3.01Å; T294-G296 PolarHBondContact O-N 3.48Å
295S45.3Very low48Very low124 Ų124123.7 Ų123.787%0.86780%0.8SS**PPolyproline II helixtrans-54.6131.3176.1-53.30000110.8G293G293-S295 PolarHBondContact O-N 2.82Å
296G45.5Very low47.7Very low73 Ų73120.3 Ų120.375%0.75379%0.794SS**PPolyproline II helixtrans-70.8142.3-171.800000113.7T294T294-G296 PolarHBondContact O-N 3.48Å
297S43.5Very low46.7Very low115 Ų115122.9 Ų122.980%0.80480%0.799SS**PPolyproline II helixtrans-73.4127.4161.151.80000109.9
298P53Low46Very low134 Ų134123.2 Ų123.287%0.8780%0.803SS**PPolyproline II helixtrans-57.6154.7170.8-24.535.2000112.5
299G43.9Very low45.4Very low75 Ų75123.3 Ų123.377%0.77380%0.801SS**  trans-117.6134.9-173.700000114.5
300E42.3Very low45.2Very low191 Ų191117.9 Ų117.989%0.89380%0.799SS**  trans-148158.1170.3-68.7-173.1158.600107.6
301Q45.8Very low44.7Very low189 Ų189118.3 Ų118.388%0.88380%0.804SS**  cis-152162-31.6-179.3165.9-64.200106.5
302G43Very low44.5Very low58 Ų58120.2 Ų120.260%0.59881%0.808SS**  trans-84.8143.1-15900000119.9
303T37.2Very low43.7Very low141 Ų141120.6 Ų120.687%0.86581%0.813SS**  trans81.2148.7133.770.40000123.1
304K39Very low43.2Very low213 Ų213120.4 Ų120.493%0.92681%0.812SS**  trans78.7139.9156.4-142.8172.7-174.7178.80115.8
305G44.1Very low42.4Very low75 Ų75121.8 Ų121.877%0.77381%0.814SS**  cis-153.8-1651.600000113.1
306S38.5Very low42.5Very low109 Ų109127.9 Ų127.976%0.76282%0.818SS**  trans-111.7179.1-16254.30000116.5
307I43.3Very low42.3Very low171 Ų171127.7 Ų127.788%0.87782%0.816SS**  trans86.4133.9179.5-51.1157.5000112.2
308G40.9Very low42.3Very low70 Ų70128.4 Ų128.472%0.72282%0.818SS**  cis-179.7-171.2-000000109.1
309V39.2Very low42.1Very low134 Ų134131 Ų13181%0.81282%0.818SS**  cis-154.7-171.6-4.6-165.50000108.3
310S43.5Very low42.3Very low120 Ų120131 Ų13184%0.83982%0.818SS**  trans-55.1168.1175.3-430000116.5
311G42.3Very low42.3Very low71 Ų71129.3 Ų129.373%0.73282%0.815SS**  cis172.5-1576.500000108.3
312P43.4Very low42.2Very low133 Ų133125.6 Ų125.686%0.86482%0.817SS**  cis-130.8-148.2-19.943.2-23000113.5
313S42.7Very low42.3Very low125 Ų125125.7 Ų125.787%0.87482%0.818SS**  trans-59.2164.7-175.9-500000118.2
314G39.8Very low43Very low69 Ų69125.1 Ų125.171%0.71182%0.817SS**  cis164.5-170.4-3.300000115.2
315N34Very low43.4Very low168 Ų168121.4 Ų121.490%0.89881%0.814SS**  trans69.992.9164.5-66.9-11.8000123.3
316R46.8Very low43.3Very low252 Ų252120.9 Ų120.995%0.95181%0.809SS**  trans50112.6133.2-162.5-178.2-165.4-1754.5121.7
317G41.3Very low43.7Very low69 Ų69123.3 Ų123.371%0.71182%0.819SS**  trans-139.3157.3152.400000111.2
318P43.4Very low43.9Very low129 Ų129122.8 Ų122.884%0.83882%0.816SS**  trans-101.6148.4-166.337.2-34.3000116.8
319Q50.2Low44.5Very low189 Ų189122.3 Ų122.388%0.88381%0.811SS**  trans51.4114.1152.4-169.7170.8-14.500120.6
320G46.8Very low44.8Very low74 Ų74122.3 Ų122.376%0.76381%0.814SS**  trans-153.3146.4155.800000109.2
321N44Very low45.2Very low157 Ų157128.3 Ų128.384%0.8482%0.818SS**  trans-105.5159.9-178.1-88.3-14000112.2
322A41.9Very low45.7Very low110 Ų110127.9 Ų127.991%0.90981%0.814SS**  trans74.8146.3-175.600000115.2
323G45.3Very low45.7Very low61 Ų61129.5 Ų129.563%0.62982%0.815SS**  cis-141.6175.10.500000113.4
324P52.3Low46.5Very low129 Ų129129.5 Ų129.584%0.83881%0.811SS**  trans-65.1157160.932.6-34.8000109.5
325P47.9Very low47.1Very low134 Ų134129.1 Ų129.187%0.8781%0.808SS**  cis-137-173.431.441.7-24000115.1
326G42Very low47.7Very low65 Ų65126.4 Ų126.467%0.6780%0.799SS**  trans159.494.6167.200000112.9I328G326-I328 PolarHBondContact O-N 3.11Å
327V47Very low48.4Very low159 Ų159120.8 Ų120.896%0.96480%0.795SS**  trans-77.1110.9172.8-128.30000108.8
328I47.9Very low48.8Very low160 Ų160120.8 Ų120.882%0.82180%0.796SS**  trans-113.8130.8173.1-63.7179000107.7G326G326-I328 PolarHBondContact O-N 3.11Å
329G52.3Low48.6Very low60 Ų60124.3 Ų124.362%0.61980%0.801SS**PPolyproline II helixtrans-65.5166.3-16600000115.3R331G329-R331 PolarHBondContact O-N 3.25Å
330P46.7Very low48.7Very low134 Ų134120.8 Ų120.887%0.8779%0.792SS**PPolyproline II helixtrans-59.8123.5177.426.1-34000110.6G332P330-G332 PolarHBondContact O-N 3.4Å
331R51Low48.8Very low246 Ų246120.4 Ų120.493%0.92879%0.788SS**PPolyproline II helixtrans-56.9120.9172.7178.8178.5-179.5165.51.2109.4G329G329-R331 PolarHBondContact O-N 3.25Å
332G52.5Low48.5Very low63 Ų63123.1 Ų123.165%0.64979%0.792SS**PPolyproline II helixtrans-55.3148.217900000112.8P330P330-G332 PolarHBondContact O-N 3.4Å
333L43.7Very low48.9Very low167 Ų167123.8 Ų123.887%0.87479%0.787SS**PPolyproline II helixtrans-65.4143.5174.6-66.6172.7000110G335L333-G335 PolarHBondContact O-N 2.77Å
334P59.1Low48.8Very low124 Ų124124.2 Ų124.281%0.80579%0.792SS**PPolyproline II helixtrans-60131.3167.6-19.732.5000110.1
335G53.6Low48.3Very low61 Ų61126.6 Ų126.663%0.62980%0.795SS**PPolyproline II helixtrans-64.2154.4175.400000112.4L333L333-G335 PolarHBondContact O-N 2.77Å
336P47.2Very low48.5Very low112 Ų112125.9 Ų125.973%0.72779%0.791SS**PPolyproline II helixtrans-65.2143.8178.228.1-34.5000111.4G338P336-G338 PolarHBondContact O-N 3.28Å
337P60.1Low48.6Very low133 Ų133126.6 Ų126.686%0.86480%0.798SS**PPolyproline II helixtrans-60.9130.1168.1-21.633.7000111.1
338G50.6Low48.3Very low70 Ų70125 Ų12572%0.72279%0.794SS**PPolyproline II helixtrans-71.6155.8-176.600000114.5P336P336-G338 PolarHBondContact O-N 3.28Å
339E38Very low48.6Very low202 Ų202126.9 Ų126.994%0.94480%0.799SS**PPolyproline II helixtrans-69.3141.7178.4-61.8-162.9138.800112.8
340V52.7Low48.4Very low116 Ų116126.8 Ų126.870%0.70380%0.798SS**PPolyproline II helixtrans-101.8124.4168.8178.70000108.9
341G50.2Low48.2Very low65 Ų65126.5 Ų126.567%0.6780%0.797SS**PPolyproline II helixtrans-64.9156.7-172.400000115.5P343G341-P343 WeakPolarHBondContact O-CD 3.38Å
342K37.4Very low48.7Very low214 Ų214120.8 Ų120.893%0.9379%0.792SS**PPolyproline II helixtrans-83.1124-173.8-59.1174.6-175.6173.40112.8
343P50.4Low48.6Very low124 Ų124121 Ų12181%0.80579%0.794SS**  trans-105.1120.4169.36.915.1000112.6G341G341-P343 WeakPolarHBondContact O-CD 3.38Å
344G41.5Very low48.4Very low70 Ų70117.4 Ų117.472%0.72279%0.788SS**  trans71.9139153.200000119.7
345I43.6Very low48.4Very low179 Ų179121.4 Ų121.492%0.91879%0.792SS**  trans-119.7110.2164.5-53.7174.2000108.8
346P51Low48.4Very low120 Ų120120 Ų12078%0.77978%0.778SS**  trans-122.8133.7169.614.77.4000113.6
347G44.6Very low48.2Very low79 Ų79120.2 Ų120.281%0.81478%0.783SS**  trans85.4103.1155.400000117.4Q349G347-Q349 PolarHBondContact O-N 3.23Å
348S40.8Very low48Very low127 Ų127118.6 Ų118.689%0.88878%0.78SS**  trans-76.4116.3166.954.60000111.5
349Q54.2Low48.1Very low198 Ų198117.6 Ų117.693%0.92577%0.77SS**  trans-107155.6170.6-161.3167.42.400110.7G347G347-Q349 PolarHBondContact O-N 3.23Å
350G48.8Very low48.4Very low58 Ų58115 Ų11560%0.59877%0.768SS**PPolyproline II helixtrans-65.3172.9-162.100000117.7
351P42.4Very low48.8Very low129 Ų129114 Ų11484%0.83877%0.771SS**PPolyproline II helixtrans-62.1144.4-169.924.6-34.6000113.3
352P60.5Low49.2Very low126 Ų126114.1 Ų114.182%0.81877%0.773SS**PPolyproline II helixtrans-70147.3-172.9-19.733000114.4
353G50.2Low49.5Very low67 Ų67109.2 Ų109.269%0.69177%0.765SS**PPolyproline II helixtrans-68.4140.4160.900000111.1K355G353-K355 PolarHBondContact O-N 3.38Å; G353-K355 VanDerWaalsContact O-N 3.17Å
354A40.7Very low50.3Low91 Ų91109.4 Ų109.475%0.75277%0.767SS**PPolyproline II helixtrans-61.7116-175.300000112.3
355K57.2Low51.2Low208 Ų208109.3 Ų109.390%0.90477%0.766SS**PPolyproline II helixtrans-85.1129.9171.6-172177.2-179.6-178.30109G353G353-K355 PolarHBondContact O-N 3.38Å; G353-K355 VanDerWaalsContact O-N 3.17Å
356G54.7Low51.3Low32 Ų32105.2 Ų105.233%0.3376%0.759SS.*PPolyproline II helixtrans-61.9156.6-173.300000115.3A358G356-A358 PolarHBondContact O-N 2.84Å
357S42Very low51.8Low117 Ų117105.7 Ų105.782%0.81876%0.761SS**PPolyproline II helixtrans-53.6126.1174.236.20000111.4
358A56.2Low52.3Low98 Ų98105.2 Ų105.281%0.8176%0.757SS**PPolyproline II helixtrans-68.6134.3169.700000109.3G356G356-A358 PolarHBondContact O-N 2.84Å
359G53.8Low52.6Low49 Ų49110.8 Ų110.851%0.50576%0.758SS.*PPolyproline II helixtrans-63.6150.317600000111.9A361G359-A361 PolarHBondContact O-N 3.02Å
360V44Very low52.7Low149 Ų149107.3 Ų107.390%0.90375%0.753SS**PPolyproline II helixtrans-54.9124.5176.8-179.40000109.7G362V360-G362 PolarHBondContact O-N 2.97Å
361A60.7Low52.8Low93 Ų93107.9 Ų107.977%0.76976%0.759SS**PPolyproline II helixtrans-66.2119174.700000109.4G359G359-A361 PolarHBondContact O-N 3.02Å
362G58.9Low53.1Low69 Ų69109.7 Ų109.771%0.71176%0.76SS**PPolyproline II helixtrans-59.8142.1177.700000111.6V360V360-G362 PolarHBondContact O-N 2.97Å
363S44.1Very low52.5Low110 Ų110111.5 Ų111.577%0.76976%0.763SS**PPolyproline II helixtrans-50.9131173.952.70000110.6G365S363-G365 PolarHBondContact O-N 3.48Å
364P67.3Low52.4Low129 Ų129111.7 Ų111.784%0.83876%0.764SS**PPolyproline II helixtrans-52.4125177.6-27.935.3000111.2
365G58.8Low52.5Low68 Ų68118.8 Ų118.870%0.70177%0.772SS**PPolyproline II helixtrans-57.4141179.900000111.3S363S363-G365 PolarHBondContact O-N 3.48Å
366A45.6Very low52.4Low93 Ų93115 Ų11577%0.76977%0.768SS**PPolyproline II helixtrans-51.9136.7177.600000110.4G368A366-G368 PolarHBondContact O-N 2.89Å; A366-G368 VanDerWaalsContact O-N 3.13Å
367P62.7Low52.2Low129 Ų129116.8 Ų116.884%0.83879%0.787SS**PPolyproline II helixtrans-52.1123.6178.5-27.635.2000110.7R369P367-R369 PolarHBondContact O-N 2.77Å
368G54.9Low52.2Low70 Ų70117.8 Ų117.872%0.72279%0.788SS**PPolyproline II helixtrans-55.1136179.400000110.3A366A366-G368 PolarHBondContact O-N 2.89Å; A366-G368 VanDerWaalsContact O-N 3.13Å
369R47.1Very low52.5Low243 Ų243118.9 Ų118.992%0.91779%0.787SS**PPolyproline II helixtrans-51.1137.7172.7-71.3-173.4176.2-162.6-0.1108.6P367 G371P367-R369 PolarHBondContact O-N 2.77Å; R369-G371 PolarHBondContact O-N 2.78Å
370P56.1Low52.4Low125 Ų125119.8 Ų119.881%0.81280%0.796SS**PPolyproline II helixtrans-47.8130.5174.2-28.735.5000110.4I372P370-I372 PolarHBondContact O-N 2.83Å
371G51.2Low52.5Low71 Ų71118.9 Ų118.973%0.73279%0.793SS**PPolyproline II helixtrans-59.4129-179.200000109.8R369 D373R369-G371 PolarHBondContact O-N 2.78Å; G371-D373 PolarHBondContact O-N 2.82Å
372I48Very low51.9Low167 Ų167119 Ų11986%0.85680%0.795SS**PPolyproline II helixtrans-57.4136.2165.851.7173000108.7P370 G374P370-I372 PolarHBondContact O-N 2.83Å; I372-G374 PolarHBondContact O-N 2.85Å; I372-G374 VanDerWaalsContact O-N 3.11Å
373D47.7Very low51.3Low164 Ų164119.7 Ų119.788%0.87780%0.801SS**PPolyproline II helixtrans-55.7120.9-176.7-75.5-53.9000110.8G371 R375G371-D373 PolarHBondContact O-N 2.82Å; D373-R375 PolarHBondContact O-N 3.19Å; D373-R375 VanDerWaalsContact O-N 3.15Å
374G48.2Very low51.2Low70 Ų70124.1 Ų124.172%0.72281%0.807SS**  trans-66.1115-175.800000110.5I372I372-G374 PolarHBondContact O-N 2.85Å; I372-G374 VanDerWaalsContact O-N 3.11Å
375R44.2Very low50.1Low240 Ų240124 Ų12491%0.90681%0.809SS**PPolyproline II helixtrans-51.7130.8165.6-74.5-175.3173.3-170.9-3108.5D373 G377D373-R375 PolarHBondContact O-N 3.19Å; D373-R375 VanDerWaalsContact O-N 3.15Å; R375-G377 PolarHBondContact O-N 2.83Å
376P54.6Low49.7Very low128 Ų128124.1 Ų124.183%0.83181%0.81SS**PPolyproline II helixtrans-49.5129-179-31.236.4000112.2
377G49.9Very low49.4Very low70 Ų70125 Ų12572%0.72281%0.808SS**PPolyproline II helixtrans-68.2138.1-168.200000113.3R375R375-G377 PolarHBondContact O-N 2.83Å
378V42.6Very low48.6Very low138 Ų138123.5 Ų123.584%0.83679%0.791SS**PPolyproline II helixtrans-66.3128.3166-174.40000108.2G380V378-G380 PolarHBondContact O-N 3.34Å
379P61.2Low48.2Very low121 Ų121121 Ų12179%0.78677%0.766SS**PPolyproline II helixtrans-56.5128-179.7-27.936.1000112.6
380G52Low48.1Very low68 Ų68115.9 Ų115.970%0.70175%0.75SS**PPolyproline II helixtrans-72.7136.8-175.600000113V378V378-G380 PolarHBondContact O-N 3.34Å
381P46.5Very low47.6Very low130 Ų130116.2 Ų116.284%0.84475%0.75SS**PPolyproline II helixtrans-66.2140.8172.328.4-34000110.9G383P381-G383 PolarHBondContact O-N 3.27Å
382A48.1Very low47.7Very low97 Ų97115.8 Ų115.880%0.80275%0.745SS**PPolyproline II helixtrans-62.8130.4-172.300000113.1
383G47.6Very low47.5Very low82 Ų82114.1 Ų114.185%0.84575%0.745SS**PPolyproline II helixtrans-68.8136.6178.300000112.6P381P381-G383 PolarHBondContact O-N 3.27Å
384K40.2Very low47.2Very low204 Ų204118 Ų11889%0.88775%0.747SS**PPolyproline II helixtrans-101.4131.5171.4-68-174.6177.4-177.80110
385S45.6Very low46.9Very low126 Ų126118 Ų11888%0.88175%0.748SS**PPolyproline II helixtrans-64.4134.6174.337.60000110.9
386G49.1Very low46.7Very low71 Ų71115.4 Ų115.473%0.73275%0.746SS**PPolyproline II helixtrans-99.4151-176.300000113.4
387P41.3Very low46.1Very low110 Ų110115.5 Ų115.571%0.71475%0.746SS**PPolyproline II helixtrans-92.4119.3169.533.7-28.5000111.4
388M45.8Very low45.9Very low99 Ų99115.9 Ų115.949%0.48875%0.75SS.*  65.3136.5118.4-112.4167.667.800117.6P1033 K1034 G1035 Q1036M388-P1033 HydrophobicContact CG-CB 4.4Å; M388-P1033 HydrophobicContact CG-CG 4.19Å; M388-P1033 WeakPolarHBondContact CG-O 3.37Å; M388-P1033 HydrophobicContact SD-CB 4.38Å; M388-P1033 HydrophobicContact SD-CG 3.76Å; M388-K1034 VanDerWaalsContact CG-CA 3.42Å; M388-K1034 VanDerWaalsContact CG-N 3.33Å; M388-G1035 VanDerWaalsContact C-C 3.43Å; M388-G1035 VanDerWaalsContact C-CA 3.47Å; M388-G1035 WeakPolarHBondContact CB-O 3.39Å; M388-G1035 VanDerWaalsContact CG-N 3.31Å; M388-G1035 CarbonylContact O-C 2.9Å; M388-G1035 WeakPolarHBondContact O-CA 3.42Å; M388-G1035 PolarHBondContact O-N 2.71Å; M388-Q1036 PolarHBondContact O-N 2.91Å
389G46.3Very low45.7Very low18 Ų18118.7 Ų118.719%0.18676%0.755CS.*  trans-135.5126.6164.500000120K1034 G1035G389-K1034 CarbonylContact C-O 3.57Å; G389-K1034 VanDerWaalsContact N-C 3.25Å; G389-K1034 VanDerWaalsContact N-CA 3.28Å; G389-K1034 CarbonylContact O-C 3.57Å; G389-K1034 WeakPolarHBondContact O-CB 3.39Å; G389-K1034 WeakPolarHBondContact O-CD 3.38Å; G389-K1034 WeakPolarHBondContact O-CE 3.44Å; G389-K1034 WeakPolarHBondContact O-CG 3.43Å; G389-K1034 PolarHBondContact O-NZ 2.73Å; G389-K1034 VanDerWaalsContact O-NZ 3.15Å; G389-G1035 VanDerWaalsContact C-CA 3.44Å; G389-G1035 VanDerWaalsContact C-N 3.29Å
390K44Very low44.6Very low134 Ų134117.9 Ų117.958%0.58376%0.758SS**PPolyproline II helixtrans-61.5160.7-150.8-72.8-172.7-176.5157.60119K1034 G1035 Q1036K390-K1034 VanDerWaalsContact CA-O 3.26Å; K390-K1034 WeakPolarHBondContact CA-O 3.48Å; K390-G1035 VanDerWaalsContact N-CA 3.27Å; K390-Q1036 HydrophobicContact CD-CB 4.27Å; K390-Q1036 HydrophobicContact CD-CG 4.26Å; K390-Q1036 VanDerWaalsContact CD-OE1 3.31Å; K390-Q1036 HydrophobicContact CG-CB 4.06Å; K390-Q1036 HydrophobicContact CG-CG 4.19Å
391T46.8Very low44.4Very low133 Ų133118.2 Ų118.282%0.81676%0.761SS**PPolyproline II helixtrans-59.7145.2168.4-47.30000112
392G51.3Low44.2Very low61 Ų61121.2 Ų121.263%0.62976%0.764SS**PPolyproline II helixtrans-85.8145.7176.700000113.3
393P45.3Very low43.8Very low133 Ų133124.5 Ų124.586%0.86477%0.768SS**PPolyproline II helixtrans-76.7162177.232.5-35.3000113.1
394R41.6Very low43.6Very low244 Ų244124.1 Ų124.192%0.92176%0.764SS**PPolyproline II helixtrans-69.7140.3172179.1178178173.2-2109.9
395G41.4Very low43.4Very low71 Ų71124 Ų12473%0.73276%0.763SS**PPolyproline II helixtrans-75.2155.6-179.600000114
396E39.3Very low43.4Very low186 Ų186124.5 Ų124.587%0.86976%0.764SS**  trans-104.3159.6174.9-64.3-168.8133.400111.7
397P43Very low43Very low129 Ų129124.7 Ų124.784%0.83877%0.765SS**  trans-77.8156-173.4-12.330.2000113.5
398G44.2Very low42.9Very low78 Ų78131.6 Ų131.680%0.80478%0.777SS**  trans-79.1158.5177.900000114.6
399Q39.6Very low43.2Very low198 Ų198134.3 Ų134.393%0.92579%0.792SS**  trans-128.4162.7165.4-74.3-169.8-17.800110.5
400A37.8Very low43.5Very low104 Ų104135.8 Ų135.886%0.8681%0.807SS**  trans-76.1159.9-171.800000113.7
401G48.8Very low43.2Very low74 Ų74135.2 Ų135.276%0.76382%0.817SS**  trans-93.8-178.6-174.100000115.6
402Q40.8Very low43.7Very low194 Ų194134.1 Ų134.191%0.90781%0.812SS**  trans-142.1157.2167.2-70.7-171.7-18.700109.2
403D40Very low43.7Very low166 Ų166134 Ų13489%0.88881%0.811SS**  trans-84.5151.5-164.2-61-71.3000116
404G42.8Very low43.4Very low73 Ų73133.4 Ų133.475%0.75381%0.807SS**  trans74.8112.713500000119.8
405K36.9Very low44.1Very low203 Ų203128 Ų12888%0.88380%0.804SS**  trans-127.5134.2135-75.9-164.6174.3-174.20109.6
406P44.7Very low44.4Very low136 Ų136127.8 Ų127.888%0.88380%0.802SS**  trans-59.9151.9179.6-25.735.8000113.5
407G41.3Very low44.4Very low74 Ų74128.2 Ų128.276%0.76380%0.804SS**  trans-86.7179.5-169.800000115.6
408R40Very low44.3Very low256 Ų256129.7 Ų129.797%0.96680%0.804SS**PPolyproline II helixtrans-76.6123.9161.8-85.5-173.5166.4-164.9-5.7109.4G410R408-G410 PolarHBondContact O-N 3.4Å
409I51.7Low44.3Very low156 Ų156129.4 Ų129.480%0.880%0.801SS**PPolyproline II helixtrans-67.1122.5166.6-68.3166.6000107.6
410G51.9Low44.4Very low49 Ų49131.4 Ų131.451%0.50580%0.801SS.*PPolyproline II helixtrans-72.2161.8165.400000110.5R408R408-G410 PolarHBondContact O-N 3.4Å
411P38Very low45Very low122 Ų122134 Ų13479%0.79280%0.8SS**PPolyproline II helixtrans-55.2144.3176.225.8-34.6000110.3G413P411-G413 PolarHBondContact O-N 3.21Å
412P56.7Low44.7Very low109 Ų109133.8 Ų133.871%0.70880%0.798SS**PPolyproline II helixtrans-50.9134.6172.4-25.734.5000110.3
413G51Low44.7Very low60 Ų60132.2 Ų132.262%0.61979%0.794SS**PPolyproline II helixtrans-59.5157168.100000110.2P411P411-G413 PolarHBondContact O-N 3.21Å
414P40.4Very low45.4Very low120 Ų120129.9 Ų129.978%0.77979%0.788SS**PPolyproline II helixtrans-53.5148.4166.926.7-34.6000109.2G416P414-G416 PolarHBondContact O-N 3.34Å; P414-G416 VanDerWaalsContact O-N 3.13Å
415P55.3Low45.7Very low130 Ų130129.8 Ų129.884%0.84479%0.787SS**PPolyproline II helixtrans-49.4124.9174.8-26.534.8000109.7E417P415-E417 PolarHBondContact O-N 3.34Å
416G47.5Very low46Very low67 Ų67125 Ų12569%0.69179%0.785SS**PPolyproline II helixtrans-59.5132178.300000109.2P414 N418P414-G416 PolarHBondContact O-N 3.34Å; P414-G416 VanDerWaalsContact O-N 3.13Å; G416-N418 PolarHBondContact O-N 3.23Å
417E39.8Very low46.5Very low195 Ų195124.2 Ų124.291%0.91178%0.783SS**PPolyproline II helixtrans-53.7135.4164.9-68.2-169.711200108.3P415 G419P415-E417 PolarHBondContact O-N 3.34Å; E417-G419 PolarHBondContact O-N 2.94Å
418N41.6Very low47.1Very low159 Ų159123.5 Ų123.585%0.8578%0.776SS**PPolyproline II helixtrans-52.4120-178.9-77.7-27.4000109.4G416 R420G416-N418 PolarHBondContact O-N 3.23Å; N418-R420 PolarHBondContact O-N 3.36Å; N418-R420 VanDerWaalsContact O-N 3.08Å
419G44.4Very low47.2Very low72 Ų72117.2 Ų117.274%0.74277%0.768SS**PPolyproline II helixtrans-55.8119.218000000109.4E417 D421E417-G419 PolarHBondContact O-N 2.94Å; G419-D421 PolarHBondContact O-N 3.12Å
420R40.5Very low47.3Very low241 Ų241115.8 Ų115.891%0.90977%0.769SS**PPolyproline II helixtrans-60.1135.1168.1-70.2-177.7175.3-178.3-1.6107.9N418 G422N418-R420 PolarHBondContact O-N 3.36Å; N418-R420 VanDerWaalsContact O-N 3.08Å; R420-G422 PolarHBondContact O-N 3.09Å
421D50.6Low47.4Very low157 Ų157116.2 Ų116.284%0.8477%0.773SS**PPolyproline II helixtrans-51.6139.5-179.1-65.1-75000111.5G419 I423G419-D421 PolarHBondContact O-N 3.12Å; D421-I423 PolarHBondContact O-N 3.41Å
422G43.9Very low47.6Very low70 Ų70116.1 Ų116.172%0.72277%0.773SS**PPolyproline II helixtrans-59.2125.5-17100000111.7R420 P424R420-G422 PolarHBondContact O-N 3.09Å; G422-P424 WeakPolarHBondContact O-CD 3.4Å
423I40.8Very low47.4Very low162 Ų162117 Ų11783%0.83178%0.778SS**PPolyproline II helixtrans-55.5122.2171.7-51.1173.7000107.6D421 G425D421-I423 PolarHBondContact O-N 3.41Å; I423-G425 PolarHBondContact O-N 2.93Å
424P54.2Low47.4Very low117 Ų117117.4 Ų117.476%0.7678%0.782SS**PPolyproline II helixtrans-55.2134.6175.6-26.936.1000110.6G422G422-P424 WeakPolarHBondContact O-CD 3.4Å
425G49.4Very low47.4Very low70 Ų70120.6 Ų120.672%0.72279%0.787SS**PPolyproline II helixtrans-56.1140-173.100000112.5I423 S427I423-G425 PolarHBondContact O-N 2.93Å; G425-S427 PolarHBondContact O-N 2.84Å; G425-S427 VanDerWaalsContact O-N 3.13Å
426A42.6Very low47.1Very low103 Ų103120.3 Ų120.385%0.85179%0.785SS**PPolyproline II helixtrans-55120.5178.500000110.2G428A426-G428 PolarHBondContact O-N 3.47Å
427S54Low47.4Very low120 Ų120120.5 Ų120.584%0.83979%0.787SS**PPolyproline II helixtrans-65.6125.8173.9-66.10000108.8G425G425-S427 PolarHBondContact O-N 2.84Å; G425-S427 VanDerWaalsContact O-N 3.13Å
428G54.2Low47.3Very low59 Ų59121.3 Ų121.361%0.60879%0.788SS**PPolyproline II helixtrans-56.9152.2-178.200000112.3A426A426-G428 PolarHBondContact O-N 3.47Å
429P41.8Very low47.4Very low123 Ų123118.6 Ų118.680%0.79979%0.787SS**PPolyproline II helixtrans-57.6132.2-178.324.3-34000110.4G431P429-G431 PolarHBondContact O-N 3.16Å
430P55.5Low47.7Very low127 Ų127118.6 Ų118.683%0.82579%0.788SS**PPolyproline II helixtrans-52.4131.3174.9-28.335.5000111.1
431G52.6Low47.6Very low58 Ų58112.9 Ų112.960%0.59879%0.785SS**PPolyproline II helixtrans-56.2147.7178.600000111.4P429P429-G431 PolarHBondContact O-N 3.16Å
432P42.3Very low47.2Very low120 Ų120111.5 Ų111.578%0.77979%0.788SS**PPolyproline II helixtrans-57133.3-177.724.1-34000110.3G434P432-G434 PolarHBondContact O-N 3.01Å
433P53.4Low47.1Very low126 Ų126111.4 Ų111.482%0.81879%0.787SS**PPolyproline II helixtrans-51.2130.7177.6-29.235.6000111.5Q435P433-Q435 PolarHBondContact O-N 2.84Å
434G50.5Low46.8Very low69 Ų69111.5 Ų111.571%0.71179%0.787SS**PPolyproline II helixtrans-55.9139.2179.600000111.1P432P432-G434 PolarHBondContact O-N 3.01Å
435Q39.6Very low46.2Very low187 Ų187111.7 Ų111.787%0.87479%0.788SS**PPolyproline II helixtrans-53.4130.1178.9-69.3-175.9-2.600110.2P433 G437P433-Q435 PolarHBondContact O-N 2.84Å; Q435-G437 PolarHBondContact O-N 2.97Å
436P50.7Low46.1Very low124 Ų124112.2 Ų112.281%0.80579%0.793SS**PPolyproline II helixtrans-51.6126.2175.8-29.335.9000111.2K438P436-K438 PolarHBondContact O-N 2.93Å
437G52.4Low45.9Very low72 Ų72113.9 Ų113.974%0.74279%0.793SS**PPolyproline II helixtrans-56.3136177.600000110.5Q435 A439Q435-G437 PolarHBondContact O-N 2.97Å; G437-A439 PolarHBondContact O-N 3.05Å
438K38.2Very low45Very low211 Ų211115.3 Ų115.392%0.91780%0.797SS**PPolyproline II helixtrans-55131.1178.2-67-173.1178.7-174.70109.6P436 G440P436-K438 PolarHBondContact O-N 2.93Å; K438-G440 PolarHBondContact O-N 2.99Å
439A44.6Very low44.2Very low102 Ų102115.9 Ų115.984%0.84380%0.803SS**PPolyproline II helixtrans-49.2128-176.500000111.8G437 S441G437-A439 PolarHBondContact O-N 3.05Å; A439-S441 PolarHBondContact O-N 2.88Å
440G49.3Very low43.9Very low73 Ų73115 Ų11575%0.75381%0.805SS**PPolyproline II helixtrans-66.413017500000110.5K438 S442K438-G440 PolarHBondContact O-N 2.99Å; G440-S442 PolarHBondContact O-N 3.14Å
441S38.8Very low43.2Very low120 Ų120115 Ų11584%0.83981%0.809SS**PPolyproline II helixtrans-62128.6171.553.30000110.4A439A439-S441 PolarHBondContact O-N 2.88Å
442S41.9Very low42.9Very low129 Ų129115.5 Ų115.590%0.90281%0.814SS**PPolyproline II helixtrans-51.1140-174.9-48.20000113.7G440G440-S442 PolarHBondContact O-N 3.14Å
443G42.2Very low42.5Very low68 Ų68116 Ų11670%0.70182%0.817SS**  trans-137.459.9-168.100000115.8
444I35.4Very low42.1Very low164 Ų164116.5 Ų116.584%0.84182%0.82SS**  trans67.3137.3161.3-32.5-179.5000116
445P40.5Very low41.5Very low121 Ų121116.4 Ų116.479%0.78682%0.819SS**PPolyproline II helixtrans-70.6150.1-174.8-20.934.2000115.5
446G46.8Very low41.1Very low80 Ų80115.7 Ų115.783%0.82582%0.821SS**PPolyproline II helixtrans-84.6146.7161.700000111.8
447T38.3Very low40.4Very low139 Ų139118.8 Ų118.885%0.85382%0.824SS**PPolyproline II helixtrans-92.7155.7-175.249.60000113.8
448T35.9Very low39.9Very low150 Ų150118.2 Ų118.292%0.9282%0.818SS**  trans-45.3151.7171.2-13.90000113.6
449G37.4Very low39.8Very low70 Ų70116.3 Ų116.372%0.72282%0.818SS**  cis-152.4-161.62.600000110.8
450A36.2Very low39.6Very low104 Ų104119.5 Ų119.586%0.8682%0.819SS**  cis-158.2172.82900000113.5
451S40.1Very low39.3Very low128 Ų128119.2 Ų119.290%0.89582%0.816SS**  trans-67.1160166.3-9.90000111.6
452G45.7Very low39.1Very low68 Ų68123.2 Ų123.270%0.70182%0.822SS**  cis150.3157.70.600000110.2
453P34.1Very low39.2Very low131 Ų131126.2 Ų126.285%0.85182%0.822SS**  trans-139160.7139.938-26.5000114
454P46.7Very low39.5Very low137 Ų137125.7 Ų125.789%0.8982%0.817SS**  trans-104.1156.5-170.58.114.7000114.8
455G37.3Very low39.6Very low67 Ų67124.3 Ų124.369%0.69182%0.818SS**  trans128.1137.3170.900000112.2
456L31Very low40Very low171 Ų171127.7 Ų127.790%0.89582%0.824SS**  cis-139.9164.53.6-74.6170000112
457Q36.3Very low40Very low189 Ų189127 Ų12788%0.88382%0.817SS**  trans-21.9137.8155.3174.3-175.8-300115.9
458G41.5Very low39.8Very low60 Ų60130.1 Ų130.162%0.61982%0.821SS**  cis139.8103.3-6.600000112.9
459D35.9Very low40.4Very low172 Ų172134.3 Ų134.392%0.9282%0.82SS**  trans-108.7153.8-170.1-72.1-59.9000115.5
460I39.9Very low40.7Very low168 Ų168133.9 Ų133.986%0.86282%0.816SS**  trans-112.5133.5-170.4-66.3171.8000111.1
461G43.1Very low40.7Very low67 Ų67136.9 Ų136.969%0.69182%0.817SS**  trans65.895.7148.500000117.9Q463G461-Q463 PolarHBondContact O-N 3.09Å
462Q35.2Very low41.1Very low205 Ų205136.7 Ų136.796%0.95881%0.812SS**  trans-65.2113.4162.3-71-177.7-11.800110.6
463Q44.4Very low41.3Very low191 Ų191136.8 Ų136.889%0.89381%0.814SS**PPolyproline II helixtrans-78150.3168.6-173167.4-1500110.7G461G461-Q463 PolarHBondContact O-N 3.09Å
464G48.2Very low41.5Very low58 Ų58136.4 Ų136.460%0.59881%0.814SS**PPolyproline II helixtrans-65.3168-175.700000115.2Q466G464-Q466 PolarHBondContact O-N 2.88Å
465P37.6Very low41.3Very low135 Ų135136.9 Ų136.988%0.87781%0.814SS**PPolyproline II helixtrans-63.9129.3-167.125.3-34.9000113.5
466Q47.7Very low41.7Very low192 Ų192136.8 Ų136.890%0.89781%0.813SS**PPolyproline II helixtrans-68.9145.8171.9-175.8173.6-11.400111.2G464G464-Q466 PolarHBondContact O-N 2.88Å
467G47.3Very low42Very low66 Ų66136.6 Ų136.668%0.6881%0.812SS**  trans-68174.1-178.100000115
468E34.4Very low42.7Very low203 Ų203133.6 Ų133.695%0.94981%0.809SS**  trans-60146.8-171.2-63.9-170.6126.200114.2G470E468-G470 PolarHBondContact O-N 2.9Å
469R47.5Very low43Very low238 Ų238133.8 Ų133.890%0.89881%0.811SS**  trans-71111.3-171.3-179.4-179-65.2-177.1-1.4111.5
470G45.2Very low43.4Very low61 Ų61131.9 Ų131.963%0.62981%0.808SS**PPolyproline II helixtrans-59.1149.9163.900000112E468E468-G470 PolarHBondContact O-N 2.9Å
471L35.5Very low43.7Very low167 Ų167133.7 Ų133.787%0.87481%0.81SS**PPolyproline II helixtrans-61.1145.7-179-68.8169.3000111.6G473L471-G473 PolarHBondContact O-N 2.81Å
472P47.5Very low44Very low124 Ų124133.8 Ų133.881%0.80581%0.811SS**PPolyproline II helixtrans-57.1127178.7-2534.7000112.3
473G50.3Low44.3Very low71 Ų71133.3 Ų133.373%0.73281%0.808SS**PPolyproline II helixtrans-67.8145.7175.200000111.9L471L471-G473 PolarHBondContact O-N 2.81Å
474S38.7Very low44.4Very low123 Ų123134 Ų13486%0.8681%0.809SS**PPolyproline II helixtrans-64.1136.8171.841.80000111.1G476S474-G476 PolarHBondContact O-N 2.83Å
475V42.1Very low44.5Very low147 Ų147134.6 Ų134.689%0.89182%0.815SS**PPolyproline II helixtrans-61.7121.2177.6178.70000109.6
476G45.2Very low44.6Very low65 Ų65137.6 Ų137.667%0.6782%0.817SS**PPolyproline II helixtrans-70.4140.6177.100000112.2S474S474-G476 PolarHBondContact O-N 2.83Å
477L38.8Very low44.5Very low167 Ų167138.3 Ų138.387%0.87482%0.817SS**PPolyproline II helixtrans-68.5143171.7-69.7170.9000110.6G479L477-G479 PolarHBondContact O-N 3.13Å
478P50.7Low44.7Very low125 Ų125137.7 Ų137.781%0.81281%0.811SS**PPolyproline II helixtrans-56.3128.7173.8-25.735000111.9
479G48.4Very low45.2Very low65 Ų65134.3 Ų134.367%0.6781%0.806SS**PPolyproline II helixtrans-66.4151.6-177.700000113.3L477L477-G479 PolarHBondContact O-N 3.13Å
480P43.2Very low45.3Very low131 Ų131131.1 Ų131.185%0.85181%0.807SS**PPolyproline II helixtrans-64.1140177.627.8-34.5000111.1G482P480-G482 PolarHBondContact O-N 2.03Å; P480-G482 VanDerWaalsContact O-N 3.14Å
481K47.2Very low45.5Very low206 Ų206131.3 Ų131.390%0.89681%0.808SS**  trans-61.1114.3175.6-178.5-179.4180179.80109.7
482G48.2Very low45.7Very low69 Ų69132.7 Ų132.771%0.71181%0.81SS**  trans-57.5140.7-174.500000113.7P480P480-G482 PolarHBondContact O-N 2.03Å; P480-G482 VanDerWaalsContact O-N 3.14Å
483E41.5Very low45.3Very low195 Ų195131.7 Ų131.791%0.91181%0.813SS**  trans-70.3147.6176.1-64.8-168.1125.500111.6G485E483-G485 PolarHBondContact O-N 2.85Å; E483-G485 VanDerWaalsContact O-N 3.1Å
484K47.1Very low45.1Very low207 Ų207131.7 Ų131.790%0.981%0.812SS**  trans-74.6101-178.1178.9-174.4174.7-173.70109.2
485G49.4Very low45.4Very low70 Ų70130.6 Ų130.672%0.72281%0.811SS**  trans-51.2139.7-178.600000113.6E483E483-G485 PolarHBondContact O-N 2.85Å; E483-G485 VanDerWaalsContact O-N 3.1Å
486E41.2Very low45.5Very low197 Ų197130.5 Ų130.592%0.92181%0.81SS**  trans-65.4144.7177.6-65-163.4121.200111.4G488E486-G488 PolarHBondContact O-N 2.85Å; E486-G488 VanDerWaalsContact O-N 3.1Å
487K45.5Very low45.8Very low207 Ų207130.4 Ų130.490%0.981%0.809SS**  trans-74.2104-179.3-175.6-175.6178.7-174.20109
488G51.3Low46.1Very low54 Ų54130.5 Ų130.556%0.55781%0.811SS**PPolyproline II helixtrans-53.2151.417500000112.8E486E486-G488 PolarHBondContact O-N 2.85Å; E486-G488 VanDerWaalsContact O-N 3.1Å
489P44.2Very low46Very low131 Ų131129.3 Ų129.385%0.85181%0.811SS**PPolyproline II helixtrans-59.2147179.225.8-34.2000111G491P489-G491 PolarHBondContact O-N 2.96Å
490L51Low46.3Very low172 Ų172129.1 Ų129.190%0.90181%0.81SS**PPolyproline II helixtrans-60.9118.9178.9-179.366000109.6
491G47.7Very low46.9Very low65 Ų65128.8 Ų128.867%0.6781%0.807SS**PPolyproline II helixtrans-64.2137175.500000111.3P489P489-G491 PolarHBondContact O-N 2.96Å
492E39.7Very low47.5Very low195 Ų195125.2 Ų125.291%0.91181%0.805SS**PPolyproline II helixtrans-63149.3172.3-64.1-174.2128.700110.6G494E492-G494 PolarHBondContact O-N 2.84Å
493A40.3Very low47.6Very low104 Ų104125.1 Ų125.186%0.8680%0.804SS**PPolyproline II helixtrans-66.5121.7-171.100000111.5A495A493-A495 PolarHBondContact O-N 3.18Å
494G45.9Very low48.1Very low70 Ų70122 Ų12272%0.72280%0.801SS**PPolyproline II helixtrans-59.5127.8167.100000110E492 V496E492-G494 PolarHBondContact O-N 2.84Å; G494-V496 PolarHBondContact O-N 2.96Å
495A43.7Very low48.3Very low100 Ų100121.5 Ų121.583%0.82680%0.802SS**PPolyproline II helixtrans-58.8129.6179.900000110.6A493 G497A493-A495 PolarHBondContact O-N 3.18Å; A495-G497 PolarHBondContact O-N 3.08Å
496V46.2Very low48.1Very low145 Ų145121.5 Ų121.588%0.87980%0.802SS**PPolyproline II helixtrans-64.7118.2171177.10000107.5G494G494-V496 PolarHBondContact O-N 2.96Å
497G50.6Low48Very low63 Ų63122.3 Ų122.365%0.64980%0.802SS**PPolyproline II helixtrans-64.4146-178.100000112.4A495 A499A495-G497 PolarHBondContact O-N 3.08Å; G497-A499 PolarHBondContact O-N 3.28Å
498D44.1Very low47.8Very low170 Ų170121.8 Ų121.891%0.90980%0.803SS**PPolyproline II helixtrans-54.5132179-69.2-63.1000111.8G500D498-G500 PolarHBondContact O-N 3.14Å
499A49.3Very low47.7Very low99 Ų99122.3 Ų122.382%0.81881%0.809SS**PPolyproline II helixtrans-66.9119.1-179.300000110.6G497G497-A499 PolarHBondContact O-N 3.28Å
500G54Low47.6Very low62 Ų62121.8 Ų121.864%0.63981%0.805SS**PPolyproline II helixtrans-58.2138.9176.100000111.8D498D498-G500 PolarHBondContact O-N 3.14Å
501P57.2Low47.1Very low123 Ų123122 Ų12280%0.79981%0.806SS**PPolyproline II helixtrans-62135.9-177.424.7-33.8000111.1G503P501-G503 PolarHBondContact O-N 3Å
502P60Low46.6Very low131 Ų131122.5 Ų122.585%0.85181%0.81SS**PPolyproline II helixtrans-55.9129.7-179.1-28.235.7000113.1
503G49.7Very low46.4Very low67 Ų67121.2 Ų121.269%0.69181%0.805SS**PPolyproline II helixtrans-68.4141-178.300000112.9P501 Q505P501-G503 PolarHBondContact O-N 3Å; G503-Q505 PolarHBondContact O-N 3.44Å
504P52.6Low46.3Very low131 Ų131124.9 Ų124.985%0.85180%0.801SS**PPolyproline II helixtrans-66.4127177.327-33.8000111.3G506P504-G506 PolarHBondContact O-N 3.3Å
505Q51.2Low46Very low195 Ų195125.2 Ų125.291%0.91180%0.804SS**PPolyproline II helixtrans-63131.4-179.8-172.5174-10.700111.4G503G503-Q505 PolarHBondContact O-N 3.44Å
506G45.4Very low45.5Very low71 Ų71129.6 Ų129.673%0.73281%0.805SS**  trans-77.7177.3-167.900000116P504P504-G506 PolarHBondContact O-N 3.3Å
507K37.9Very low45Very low213 Ų213131.1 Ų131.193%0.92680%0.803SS**  trans-115.9135.6167-69.6-173.8177.5-178.40110
508Q42.3Very low44.6Very low196 Ų196131.3 Ų131.392%0.91680%0.804SS**  trans-77.7143.6-179.6-165.7170300110.6
509G48.4Very low44.5Very low65 Ų65129.9 Ų129.967%0.6780%0.796SS**  trans-78.7174.4-178.900000114.1
510P42.2Very low44Very low120 Ų120132.6 Ų132.678%0.77980%0.795SS**  -140.9149.2118.338.1-26.5000116
511I40.1Very low43.4Very low177 Ų177132.8 Ų132.891%0.90880%0.797SS**  trans14.6129.6138.7-51.3168.9000118.4
512G38Very low42.5Very low75 Ų75134.3 Ų134.377%0.77380%0.799SS**  trans160.2128.9155.600000115.9
513E35.8Very low41.9Very low169 Ų169135.3 Ų135.379%0.7980%0.802SS**  trans-78.1154.8-174.3-63.9-168.9100.700116.9
514K38.3Very low41.8Very low180 Ų180135.3 Ų135.378%0.78380%0.802SS**  trans50.9130.4144.6-77.7173.51781580122.3
515G39.5Very low40.9Very low77 Ų77134.9 Ų134.979%0.79480%0.802SS**  trans-159.1150.4153.900000110.7
516F33.8Very low41.3Very low192 Ų192131.7 Ų131.784%0.84280%0.798SS**  trans-126.8146.8-172-102.2-97000113.2
517Q35.1Very low41.4Very low178 Ų178131.7 Ų131.783%0.83280%0.799SS**  trans70.4137.9145.4-165.1171.78.800121
518G42.8Very low41.5Very low66 Ų66130.3 Ų130.368%0.6880%0.8SS**  trans142.787.3171.400000112
519L40.1Very low42Very low141 Ų141132.9 Ų132.974%0.73880%0.802SS**  88.2101.872.4-77.6167.7000115
520I40.5Very low42.4Very low155 Ų155132.3 Ų132.380%0.79580%0.796SS**  trans62.4129.7144.5-56.3173.1000118.3
521G40.8Very low43Very low66 Ų66133 Ų13368%0.6880%0.8SS**  cis164.3-171.6-4.900000115.1
522N38.7Very low43.9Very low155 Ų155135.9 Ų135.983%0.82980%0.8SS**  trans69.685.8158.4-56.5-4.4000121
523V46.2Very low44.7Very low153 Ų153135.2 Ų135.293%0.92779%0.793SS**  trans-135.7147.7135.9179.60000108.1
524G48.1Very low45.2Very low67 Ų67134.5 Ų134.569%0.69179%0.794SS**  trans-68.9161.8-163.300000117.6P526G524-P526 WeakPolarHBondContact O-CD 3.45Å
525S34.2Very low46.6Very low122 Ų122131.5 Ų131.585%0.85379%0.793SS**  trans-87.3115.3-178.137.80000113.2
526P58.5Low47.4Very low127 Ų127130.9 Ų130.983%0.82579%0.787SS**  trans-83.9121.9175.5-6.525.3000111.6G524G524-P526 WeakPolarHBondContact O-CD 3.45Å
527G48.1Very low48.5Very low72 Ų72127.8 Ų127.874%0.74279%0.786SS**  trans55.5117.5153.300000119.3R529G527-R529 PolarHBondContact O-N 3.01Å
528L39.6Very low49.5Very low183 Ų183125.1 Ų125.196%0.95879%0.787SS**  trans-59.8104.3158.3-74.4170.6000109.4G530L528-G530 PolarHBondContact O-N 3.38Å
529R54.1Low49.8Very low251 Ų251125.2 Ų125.295%0.94779%0.788SS**  trans-65.8115.8170.1-171.9174.4-175.8171.92107.7G527G527-R529 PolarHBondContact O-N 3.01Å
530G56.1Low50Low53 Ų53125.8 Ų125.855%0.54679%0.792SS.*  trans-56.9161.9-173.500000113.9L528 R532L528-G530 PolarHBondContact O-N 3.38Å; G530-R532 PolarHBondContact O-N 3.43Å
531P55.3Low51Low133 Ų133124.1 Ų124.186%0.86479%0.791SS**  trans-54.3138.8-178.824-34.1000110.8G533P531-G533 PolarHBondContact O-N 3.05Å
532R57.9Low51.4Low239 Ų239124.4 Ų124.490%0.90279%0.794SS**  trans-61.6109.5170.9177.2-178-178.2173.71107.3G530G530-R532 PolarHBondContact O-N 3.43Å
533G54.4Low51.6Low61 Ų61126.5 Ų126.563%0.62980%0.795SS**PPolyproline II helixtrans-54.3143.4178.300000111.5P531P531-G533 PolarHBondContact O-N 3.05Å
534D48Very low51.7Low154 Ų154127.1 Ų127.182%0.82479%0.793SS**PPolyproline II helixtrans-57.4140.6-176.9-61.6-69.8000111.2G536D534-G536 PolarHBondContact O-N 3.21Å; D534-G536 VanDerWaalsContact O-N 3.15Å
535P67.6Low51.6Low116 Ų116127.4 Ų127.475%0.75380%0.796SS**PPolyproline II helixtrans-56.2121.6168.8-2233.4000109.4
536G55.2Low51.9Low64 Ų64127.9 Ų127.966%0.6680%0.795SS**PPolyproline II helixtrans-55.5144.3176.500000110.8D534 S538D534-G536 PolarHBondContact O-N 3.21Å; D534-G536 VanDerWaalsContact O-N 3.15Å; G536-S538 PolarHBondContact O-N 3.3Å
537P57.9Low51.5Low128 Ų128128.2 Ų128.283%0.83180%0.797SS**PPolyproline II helixtrans-58.8132.8-175.524.5-34.2000110.6G539P537-G539 PolarHBondContact O-N 3.28Å
538S54.8Low51.1Low122 Ų122128.1 Ų128.185%0.85380%0.795SS**PPolyproline II helixtrans-54122170.8-620000109.3G536G536-S538 PolarHBondContact O-N 3.3Å
539G48.8Very low50.9Low68 Ų68125.6 Ų125.670%0.70179%0.787SS**PPolyproline II helixtrans-59.7145.317900000111.8P537P537-G539 PolarHBondContact O-N 3.28Å
540D45.1Very low50.5Low153 Ų153120.9 Ų120.982%0.81878%0.781SS**PPolyproline II helixtrans-51.6130.7177.2-74.3-48.2000110.8G542D540-G542 PolarHBondContact O-N 2.88Å
541P62Low49.5Very low120 Ų120122.9 Ų122.978%0.77979%0.792SS**PPolyproline II helixtrans-52.6132.9170.3-27.836000111.2K543P541-K543 PolarHBondContact O-N 2.84Å
542G49Very low49.1Very low71 Ų71121.8 Ų121.873%0.73279%0.785SS**PPolyproline II helixtrans-54.5133.4-177.400000111.9D540 D544D540-G542 PolarHBondContact O-N 2.88Å; G542-D544 PolarHBondContact O-N 3.24Å
543K43.4Very low48.3Very low199 Ų199118.1 Ų118.187%0.86578%0.783SS**PPolyproline II helixtrans-73.8118.1177-61.5167.1-170.4166.50108.1P541 G545P541-K543 PolarHBondContact O-N 2.84Å; K543-G545 PolarHBondContact O-N 2.04Å
544D47.9Very low47.6Very low166 Ų166118.6 Ų118.689%0.88879%0.788SS**PPolyproline II helixtrans-54.1131.5177.2-73.8-50.9000111.1G542G542-D544 PolarHBondContact O-N 3.24Å
545G45.1Very low47.3Very low73 Ų73120.9 Ų120.975%0.75379%0.794SS**PPolyproline II helixtrans-75.5140.1-166.800000113.9K543 P547K543-G545 PolarHBondContact O-N 2.04Å; G545-P547 WeakPolarHBondContact O-CD 3.18Å
546T41.3Very low46.1Very low133 Ų133122.7 Ų122.782%0.81680%0.803SS**PPolyproline II helixtrans-77.7124.7169.849.60000111.5
547P49.8Very low45.4Very low134 Ų134123.2 Ų123.287%0.8781%0.808SS**PPolyproline II helixtrans-70.2141.9156.2-8.826.1000109.3G545G545-P547 WeakPolarHBondContact O-CD 3.18Å
548G38.9Very low44.6Very low69 Ų69122 Ų12271%0.71181%0.809SS**  cis162.377.3-3.800000112.3
549V36.8Very low44.2Very low130 Ų130123.4 Ų123.479%0.78881%0.813SS**  trans-159139.9173.5-91.40000107.1
550D45.5Very low44.2Very low153 Ų153123 Ų12382%0.81881%0.808SS**  cis-130165.63.6-71.4-61000111.2
551A35.2Very low44.1Very low95 Ų95122.3 Ų122.379%0.78581%0.812SS**  trans-101.4139.8163.900000108.9
552P46Very low43.3Very low110 Ų110125.5 Ų125.571%0.71482%0.817SS**  -139.9-169.475.545.1-30.7000111.6
553D42.2Very low43.2Very low161 Ų161125.2 Ų125.286%0.86181%0.813SS**  cis-128.9175.72.5-90.6-65.8000109.3
554G39.3Very low43.2Very low71 Ų71122.1 Ų122.173%0.73281%0.813SS**  trans-107.5155.4-177.800000115.2
555E41Very low43Very low202 Ų202122.1 Ų122.194%0.94481%0.808SS**  trans-163.2173.3136.2-114.7177.7-163.300111.1
556V42.1Very low43.1Very low154 Ų154121.6 Ų121.693%0.93380%0.803SS**  trans-122.6130.6-163.1175.60000113.1
557G42.2Very low43.2Very low75 Ų75121.7 Ų121.777%0.77381%0.806SS**  trans161147.7165.600000112.3
558A41.4Very low43.3Very low104 Ų104121.3 Ų121.386%0.8680%0.801SS**  cis-152162.9-8.900000110.1
559T44.4Very low43.5Very low151 Ų151121.1 Ų121.193%0.92680%0.799SS**  trans-75138.3-169.4-50.30000114.3
560G49Very low43.8Very low58 Ų58121 Ų12160%0.59880%0.801SS**  trans-109.4163.6168.300000112.5
561P43.7Very low43.6Very low140 Ų140118.6 Ų118.691%0.90980%0.802SS**  trans-78153-154.129.4-36.5000116.5
562E44.7Very low44Very low187 Ų187117.2 Ų117.287%0.87480%0.798SS**  trans-91.6149.6-176.8177178.2-153.600113.5
563G48.1Very low43.9Very low64 Ų64121.1 Ų121.166%0.6681%0.806SS**  trans148.8167.1153.300000115.2
564P42.9Very low44.2Very low134 Ų134119.7 Ų119.787%0.8781%0.806SS**  cis-99.6146.1-17.636.4-28.2000111.8
565Q43.3Very low44.8Very low166 Ų166119.5 Ų119.578%0.77680%0.803SS**  trans-82137.7-178.4-172-173.434.100113
566G48.4Very low45.2Very low63 Ų63116.4 Ų116.465%0.64980%0.801SS**  trans160.2159.7151.500000115.4
567P41.9Very low45.5Very low134 Ų134119.8 Ų119.887%0.8780%0.797SS**  cis-92.1164.2-21.437.1-31.1000111.5
568V51.5Low45.9Very low126 Ų126119.5 Ų119.576%0.76479%0.794SS**  trans-101.4130.7179.31740000111.8
569G43.5Very low45.6Very low66 Ų66121.6 Ų121.668%0.6879%0.79SS**  trans140.6162.1148.200000115.8
570P43.4Very low45.6Very low127 Ų127120.4 Ų120.483%0.82579%0.785SS**  cis-109.5158.9-5.339.1-30000113.3
571A41.8Very low45.4Very low102 Ų102120.9 Ų120.984%0.84379%0.789SS**  trans-74.6146.415200000108.3
572G44.2Very low45.8Very low67 Ų67121.2 Ų121.269%0.69179%0.789SS**  cis118.4140.81900000109.1
573Q42.8Very low45.2Very low192 Ų192122.7 Ų122.790%0.89779%0.792SS**  trans-135.5123.5177.8-71.1-163.1-0.600112.4
574P48.2Very low44.8Very low131 Ų131122.6 Ų122.685%0.85179%0.792SS**PPolyproline II helixtrans-66.8140170.5-2133.9000112.6
575G53.1Low45.1Very low66 Ų66125.9 Ų125.968%0.6880%0.796SS**PPolyproline II helixtrans-82.7171.8-177.600000115.6
576P49.3Very low44.9Very low138 Ų138124.1 Ų124.190%0.89680%0.799SS**PPolyproline II helixtrans-78.4128.3-178.230.7-33.8000113.5
577R48.7Very low44.4Very low225 Ų225124.2 Ų124.285%0.84980%0.8SS**PPolyproline II helixtrans-59125.8174.7176.9-173.7-172.9172.92.5113.2
578G48.9Very low44.1Very low68 Ų68124.1 Ų124.170%0.70180%0.802SS**PPolyproline II helixtrans-90.5150.9174.500000115
579L36Very low43.7Very low149 Ų149125.5 Ų125.578%0.7880%0.804SS**  trans-162.5167.4174-70.2-179.1000108.6
580P44.5Very low43.4Very low126 Ų126124.7 Ų124.782%0.81880%0.795SS**  cis-123.6-175.3-42.437.1-21.1000111.5
581G45.5Very low43.1Very low67 Ų67125.3 Ų125.369%0.69180%0.799SS**  trans-97.4145.3-164.700000119.7
582T50.6Low43Very low147 Ų147128.2 Ų128.290%0.90280%0.799SS**  trans56.5114.2143.360.20000122.7
583K33.9Very low42.5Very low218 Ų218127.8 Ų127.895%0.94879%0.794SS**  trans-170.2135.7132.5-167.9173.6-175.1178.10108.5
584G37.8Very low42.2Very low63 Ų63126.2 Ų126.265%0.64979%0.791SS**  cis-175.3167.6-8.500000108.6P586G584-P586 WeakPolarHBondContact O-CD 3.33Å
585E50.3Low41.9Very low203 Ų203122.9 Ų122.995%0.94977%0.769SS**  trans-67.1132.5178.9-64-173.5129.300112.1
586P38.9Very low41.3Very low129 Ų129120.5 Ų120.584%0.83874%0.744SS**  -148.3149.2118.836.9-22000114.6G584G584-P586 WeakPolarHBondContact O-CD 3.33Å
587G38.7Very low41.1Very low65 Ų65125.8 Ų125.867%0.6775%0.746SS**  trans138.381.1162.100000115.6I589G587-I589 VanDerWaalsContact C-N 3.34Å; G587-I589 PolarHBondContact O-N 2.79Å
588S35Very low40.5Very low132 Ų132123.3 Ų123.392%0.92375%0.746SS**  trans-72.784.1170.657.40000111.3
589I42.3Very low40.2Very low155 Ų155123.6 Ų123.680%0.79575%0.749SS**  trans-80.1138.7170.1-62.6177.5000108.6G587G587-I589 VanDerWaalsContact C-N 3.34Å; G587-I589 PolarHBondContact O-N 2.79Å
590G37.4Very low40.3Very low49 Ų49123.1 Ų123.151%0.50575%0.753SS.*  trans-65.1162.8-163.700000115.8I592G590-I592 PolarHBondContact O-N 2.8Å
591P38.2Very low40Very low140 Ų140125.5 Ų125.591%0.90976%0.755SS**  trans-68.6100.7-175.628.5-35.2000111.8G593P591-G593 PolarHBondContact O-N 2.9Å; P591-G593 VanDerWaalsContact O-N 3.09Å
592I38.7Very low39.7Very low162 Ų162125.3 Ų125.383%0.83175%0.753SS**  trans-75.499.1173.1-62.7179.3000108.9G590G590-I592 PolarHBondContact O-N 2.8Å
593G34.9Very low39Very low58 Ų58124.2 Ų124.260%0.59874%0.74SS**  trans41100157.500000118P591 P595P591-G593 PolarHBondContact O-N 2.9Å; P591-G593 VanDerWaalsContact O-N 3.09Å; G593-P595 WeakPolarHBondContact O-CD 3.09Å
594I36.2Very low39.3Very low160 Ų160119.4 Ų119.482%0.82173%0.731SS**PPolyproline II helixtrans-61.1120.1160.7-53.2171.7000108
595P41.9Very low39.4Very low61 Ų61119.8 Ų119.840%0.39674%0.736SS.*PPolyproline II helixtrans-89.3128.9176.133.3-24.2000109.7P75 P76 G77 G593P75-P595 CarbonylContact O-C 3.48Å; P75-P595 VanDerWaalsContact O-C 3.25Å; P75-P595 WeakPolarHBondContact O-CA 3.04Å; P75-P595 WeakPolarHBondContact O-CB 3.41Å; P76-P595 WeakPolarHBondContact O-CB 3.31Å; G77-P595 WeakPolarHBondContact CA-O 3.47Å; G593-P595 WeakPolarHBondContact O-CD 3.09Å
596G40.5Very low38.7Very low16 Ų16114.5 Ų114.517%0.16573%0.727CS.*BIsolated β-bridgetrans-73.3153.6-159.800000116.2P75 P76 G77P75-G596 PolarHBondContact O-N 3.46Å; P76-G596 CarbonylContact C-O 2.81Å; G77-G596 PolarHBondContact N-O 3.22Å
597R43.5Very low38.9Very low248 Ų248114.5 Ų114.594%0.93673%0.727SS**PPolyproline II helixtrans-74.1137.4179.8-67.3-178.2172-163.4-2.6111.6
598M37.9Very low39.3Very low173 Ų173114.2 Ų114.285%0.85272%0.723SS**PPolyproline II helixtrans-59.6143.8157-78.8-175.8-78.400110
599G40.7Very low39.5Very low74 Ų74114.1 Ų114.176%0.76372%0.72SS**PPolyproline II helixtrans-64.8142.4177.100000112M601G599-M601 PolarHBondContact O-N 2.86Å
600V38.5Very low39.6Very low140 Ų140112.7 Ų112.785%0.84872%0.723SS**PPolyproline II helixtrans-69.6128.2170.8-175.30000108.1G602V600-G602 PolarHBondContact O-N 3.08Å
601M37.9Very low40Very low175 Ų175112.9 Ų112.986%0.86273%0.726SS**PPolyproline II helixtrans-59.2121.8171.2179.816963.300108.7G599 I603G599-M601 PolarHBondContact O-N 2.86Å; M601-I603 PolarHBondContact O-N 2.9Å
602G40.3Very low40Very low63 Ų63112.5 Ų112.565%0.64972%0.723SS**PPolyproline II helixtrans-58.8126.3-173.300000111.9V600V600-G602 PolarHBondContact O-N 3.08Å
603I34.7Very low40.3Very low125 Ų125112.6 Ų112.664%0.64173%0.725SS**PPolyproline II helixtrans-56.8126.5170.7-54.2173.1000107.3M601 G605M601-I603 PolarHBondContact O-N 2.9Å; I603-G605 PolarHBondContact O-N 3.48Å; I603-G605 VanDerWaalsContact O-N 3.16Å
604P40.2Very low40.8Very low116 Ų116112.7 Ų112.775%0.75373%0.726SS**PPolyproline II helixtrans-54.7123.4174.4-2635.2000109.9A606P604-A606 PolarHBondContact O-N 2.89Å
605G41Very low40.8Very low72 Ų72111 Ų11174%0.74273%0.726SS**PPolyproline II helixtrans-55.4128.7-175.600000111I603I603-G605 PolarHBondContact O-N 3.48Å; I603-G605 VanDerWaalsContact O-N 3.16Å
606A35.5Very low41.1Very low92 Ų92114.1 Ų114.176%0.7675%0.746SS**PPolyproline II helixtrans-51.3131.6179.300000110P604 G608P604-A606 PolarHBondContact O-N 2.89Å; A606-G608 PolarHBondContact O-N 2.83Å; A606-G608 VanDerWaalsContact O-N 3.11Å
607P44Very low41.4Very low129 Ų129116.8 Ų116.884%0.83877%0.773SS**PPolyproline II helixtrans-52.3122.4178.9-28.135.3000110.5
608G46Very low40.9Very low58 Ų58115.2 Ų115.260%0.59877%0.774SS**PPolyproline II helixtrans-56142.7-179.200000110.6A606 S610A606-G608 PolarHBondContact O-N 2.83Å; A606-G608 VanDerWaalsContact O-N 3.11Å; G608-S610 PolarHBondContact O-N 3.34Å; G608-S610 VanDerWaalsContact O-N 3.15Å
609P38.5Very low40.8Very low131 Ų131115.9 Ų115.985%0.85177%0.772SS**PPolyproline II helixtrans-55.4125.7-179.423.9-33.9000109.1G611P609-G611 PolarHBondContact O-N 2.78Å; P609-G611 VanDerWaalsContact O-N 3.17Å
610S44.7Very low41.1Very low124 Ų124115.5 Ų115.587%0.86777%0.768SS**PPolyproline II helixtrans-53.7124.9-176.5-51.70000109.7G608G608-S610 PolarHBondContact O-N 3.34Å; G608-S610 VanDerWaalsContact O-N 3.15Å
611G46.5Very low40.9Very low54 Ų54116 Ų11656%0.55777%0.766SS**PPolyproline II helixtrans-54.6147.2-178.200000111.1P609 N613P609-G611 PolarHBondContact O-N 2.78Å; P609-G611 VanDerWaalsContact O-N 3.17Å; G611-N613 PolarHBondContact O-N 2.85Å; G611-N613 VanDerWaalsContact O-N 3.15Å
612P37.5Very low41.1Very low132 Ų132119.3 Ų119.386%0.85777%0.769SS**PPolyproline II helixtrans-55.9125.1-178.324.1-33.9000109.7G614P612-G614 PolarHBondContact O-N 3.49Å
613N45Very low41.2Very low164 Ų164119.1 Ų119.188%0.87777%0.767SS**PPolyproline II helixtrans-49.8128.7-178.9-78.9-38.4000110.4G611G611-N613 PolarHBondContact O-N 2.85Å; G611-N613 VanDerWaalsContact O-N 3.15Å
614G45.7Very low41.2Very low60 Ų60121.8 Ų121.862%0.61978%0.781SS**PPolyproline II helixtrans-55.3149175.400000111.1P612P612-G614 PolarHBondContact O-N 3.49Å
615P36.8Very low41.2Very low125 Ų125122.1 Ų122.181%0.81279%0.786SS**PPolyproline II helixtrans-56137-176.523.3-33.8000110.6G617P615-G617 PolarHBondContact O-N 3.46Å
616P47.9Very low40.8Very low126 Ų126122.6 Ų122.682%0.81879%0.791SS**PPolyproline II helixtrans-51.9128.1-175.7-29.935.5000113
617G45.7Very low40.7Very low72 Ų72123 Ų12374%0.74279%0.794SS**PPolyproline II helixtrans-59138.7174.200000111.1P615 K619P615-G617 PolarHBondContact O-N 3.46Å; G617-K619 PolarHBondContact O-N 3.12Å
618F33.2Very low40.4Very low214 Ų214126.3 Ų126.394%0.93980%0.798SS**PPolyproline II helixtrans-58.4132.4-179.4-78.8-87.2000111.4G620F618-G620 PolarHBondContact O-N 3.4Å; F618-G620 VanDerWaalsContact O-N 3.1Å
619K37.4Very low40.1Very low187 Ų187127 Ų12781%0.81381%0.805SS**  trans-56.8110.5176.4178.5-171.2174.8-168.70110.4G617G617-K619 PolarHBondContact O-N 3.12Å
620G45.6Very low40.2Very low67 Ų67128.4 Ų128.469%0.69180%0.804SS**PPolyproline II helixtrans-75.8140.9167.900000111.4F618F618-G620 PolarHBondContact O-N 3.4Å; F618-G620 VanDerWaalsContact O-N 3.1Å
621D34.6Very low40Very low151 Ų151128.1 Ų128.181%0.80780%0.799SS**PPolyproline II helixtrans-76.6134.9-177-73.2-50.7000113.4
622R41.7Very low40Very low243 Ų243129.1 Ų129.192%0.91781%0.809SS**PPolyproline II helixtrans-100.9124.9168.7-179-173.2-171.3-179.24.4106.7
623G43.1Very low40.1Very low60 Ų60132.7 Ų132.762%0.61981%0.812SS**  cis136.8149.67.200000109.1
624I34Very low39.8Very low181 Ų181132.7 Ų132.793%0.92881%0.811SS**  trans-118.2147.4171.358.9170.9000110.7
625S40.1Very low39.9Very low122 Ų122133.3 Ų133.385%0.85382%0.818SS**  trans-115.1143.1-143.8-58.40000114.9
626G32.8Very low40Very low83 Ų83136.4 Ų136.486%0.85682%0.822SS**  trans148.3119.2170.300000111
627A33Very low39.9Very low100 Ų100136.5 Ų136.583%0.82682%0.822SS**  cis-122.2-176.3300000112.1
628H38.3Very low40Very low198 Ų198136.8 Ų136.892%0.91783%0.825SS**PPolyproline II helixtrans-68.3131.3-175.4-66.5-13.7000113.5
629G40.7Very low40.1Very low72 Ų72132 Ų13274%0.74282%0.819SS**PPolyproline II helixtrans-97.7148.5160.800000111
630I39.9Very low40.6Very low161 Ų161129.2 Ų129.283%0.82682%0.819SS**PPolyproline II helixtrans-77147.5-178.8-56.9166.4000109.1
631P39.6Very low40.5Very low118 Ų118129 Ų12977%0.76682%0.817SS**PPolyproline II helixtrans-52.2142.3175.3-28.836.6000113.5
632G48.3Very low40.7Very low75 Ų75128.4 Ų128.477%0.77382%0.822SS**PPolyproline II helixtrans-66.6154.1175.900000112.3
633K38.3Very low40.6Very low208 Ų208125 Ų12590%0.90482%0.82SS**PPolyproline II helixtrans-91.1143.1172.8-55.8177.3-175.61790109
634D39.6Very low40.5Very low163 Ų163125.6 Ų125.687%0.87283%0.826SS**PPolyproline II helixtrans-65147.5177.9-60-65.4000112.3
635G46.3Very low40.6Very low74 Ų74122.3 Ų122.376%0.76383%0.826SS**PPolyproline II helixtrans-81.4141.8-176.800000113.1
636Q40.2Very low40.4Very low189 Ų189124.4 Ų124.488%0.88382%0.815SS**PPolyproline II helixtrans-70.2141.9174.4-70.8-179.9-45.700111.7
637P45.6Very low40.8Very low128 Ų128122.3 Ų122.383%0.83179%0.794SS**PPolyproline II helixtrans-62.1146.3168-21.933.9000112.4
638G47.1Very low40.9Very low78 Ų78123 Ų12380%0.80479%0.79SS**PPolyproline II helixtrans-73150.1178.900000113.9
639S35.8Very low40.7Very low115 Ų115117.1 Ų117.180%0.80477%0.769SS**PPolyproline II helixtrans-72.9141.5179.154.90000113.3
640P48.3Very low40.5Very low127 Ų127117.2 Ų117.283%0.82577%0.771SS**PPolyproline II helixtrans-60.1152.3172-23.634.5000114.1
641G43.2Very low40.2Very low63 Ų63114.7 Ų114.765%0.64977%0.774SS**PPolyproline II helixtrans-77.5164.817700000114.5
642P38.2Very low39.7Very low138 Ų138116.2 Ų116.290%0.89677%0.774SS**PPolyproline II helixtrans-75.4153.9-174.931.5-36.2000113.8
643I39.8Very low38.9Very low171 Ų171122 Ų12288%0.87778%0.78SS**PPolyproline II helixtrans-92.2137-179.6-58.9173000110.4
644G42.1Very low38.4Very low73 Ų73118.5 Ų118.575%0.75378%0.776SS**PPolyproline II helixtrans-78.4158.5179.300000115.2
645A34.9Very low38Very low113 Ų113114.4 Ų114.493%0.93477%0.773SS**PPolyproline II helixtrans-85.9160-172.300000115.3
646R37.5Very low37.3Very low165 Ų165114.9 Ų114.962%0.62378%0.777SS**PPolyproline II helixtrans-102.3139.5-176.1167.8179.4174.7-178.72.6111.8P70P70-R646 PolarHBondContact O-NH2 3.03Å
647G41.2Very low36.8Very low39 Ų39115.3 Ų115.340%0.40277%0.77SS.*  trans-87.1176.8171.300000114.7P69P69-G647 VanDerWaalsContact CB-C 3.49Å; P69-G647 WeakPolarHBondContact CB-O 3.45Å; P69-G647 VanDerWaalsContact CG-C 3.42Å
648P34Very low36.3Very low114 Ų114114 Ų11474%0.7477%0.765SS**  trans-108.5141.3-178.738-29.9000115.5P69P69-P648 VanDerWaalsContact CG-C 3.43Å; P69-P648 WeakPolarHBondContact CG-O 2.91Å
649P35.2Very low35.5Very low75 Ų75118.4 Ų118.449%0.48777%0.769SS.*  trans-95161.4173.236.6-29.4000112.2P69P69-P649 HydrophobicContact CB-CB 4.36Å; P69-P649 HydrophobicContact CB-CG 4.45Å
650G35.3Very low35.5Very low75 Ų75116.8 Ų116.877%0.77377%0.77SS**  cis161.1153.6-2.700000109.9
651A32.7Very low34.7Very low107 Ų107118.3 Ų118.388%0.88477%0.769SS**  trans-154.1146.7178.100000113.8
652I29.2Very low34.3Very low150 Ų150124.3 Ų124.377%0.76978%0.783SS**  trans-110.2144.4173.8-59.9164.4000108.1
653H31.8Very low34.5Very low196 Ų196120.6 Ų120.691%0.90777%0.77SS**  trans-152.5169.2147.5-112.671.9000111.7
654V28.6Very low34.4Very low136 Ų136118.7 Ų118.782%0.82477%0.769SS**  trans-119139.9-154.8176.20000113.5
655G30.4Very low34.6Very low77 Ų77121.4 Ų121.479%0.79477%0.773SS**  trans114.1162.7148.100000117.3
656G33Very low35.1Very low83 Ų83119.5 Ų119.586%0.85677%0.765SS**  trans109.997.2167.200000116.2
657R29.5Very low35.2Very low198 Ų198117.3 Ų117.375%0.74777%0.772SS**  trans-83.7133.3154-78176.1163.8-170.2-6.6108.3
658S33.4Very low35.7Very low102 Ų102121.4 Ų121.471%0.71379%0.789SS**  149.4128.4111.267.10000115.4
659L30.5Very low35.9Very low170 Ų170119.6 Ų119.689%0.8979%0.791SS**  trans56118.1139.7-63167.8000120.6
660G36.6Very low36Very low80 Ų80122.3 Ų122.383%0.82580%0.802SS**  trans-174.297.116400000109.8
661I31.3Very low36.1Very low159 Ų159126.6 Ų126.682%0.81581%0.807SS**  trans-103.9155.7-173.5-57171.9000109.7
662M35.7Very low36.4Very low189 Ų189124.5 Ų124.593%0.93180%0.796SS**  trans97.9120.8173.4-166.817269.300114
663G41.4Very low36.7Very low61 Ų61124.5 Ų124.563%0.62980%0.802SS**  cis-161.4174.2-3.300000111.9
664P37.2Very low36.9Very low130 Ų130124 Ų12484%0.84480%0.8SS**PPolyproline II helixtrans-76.6159.7-17030.5-35.7000114.8
665P46.2Very low37.5Very low130 Ų130120.4 Ų120.484%0.84479%0.791SS**PPolyproline II helixtrans-93.4162.7-161.6-3.724.9000115.4
666G45.6Very low37.7Very low74 Ų74123.5 Ų123.576%0.76379%0.789SS**PPolyproline II helixtrans-102.7137.1169.100000112.7
667P41.3Very low38.1Very low119 Ų119125.8 Ų125.877%0.77379%0.786SS**PPolyproline II helixtrans-99.2129.8-173.535-33.1000116.2
668V49.9Very low38.5Very low124 Ų124119.3 Ų119.375%0.75278%0.781SS**  trans60.4134.8138.4-172.50000121.3
669G38.9Very low39.2Very low77 Ų77120.8 Ų120.879%0.79479%0.786SS**  trans-153.5130.5151.200000110.2
670D36.6Very low39.9Very low132 Ų132118.4 Ų118.471%0.70678%0.78SS**  trans-107.7158.9-166.7-75.5-53.7000115.8
671N38.2Very low40Very low165 Ų165118.2 Ų118.288%0.88278%0.778SS**  trans81.1136.9167.8-51.7-78.9000118.1
672G38.6Very low40.6Very low63 Ų63119.3 Ų119.365%0.64978%0.782SS**  cis165.5172.3-11.100000117
673V35.1Very low41Very low150 Ų150116.2 Ų116.291%0.90978%0.776SS**  trans57.1120.9155.4-68.60000123.6
674Q37.4Very low40.9Very low185 Ų185116.7 Ų116.786%0.86478%0.781SS**  -157.2164.4115.1-170.1156.4-41.800110.8
675G40Very low40.9Very low61 Ų61120.1 Ų120.163%0.62979%0.786SS**  trans-82.2-163.3-176.700000116
676D34.5Very low40.7Very low142 Ų142119.7 Ų119.776%0.75979%0.786SS**  cis-162.7164.641-88.7-37.2000116.4
677V43.2Very low40.7Very low131 Ų131118.9 Ų118.979%0.79478%0.778SS**  trans68.3114151.1171.60000122.1
678G37.3Very low40.7Very low62 Ų62119.8 Ų119.864%0.63978%0.783SS**  81.9129.5108.800000121.4
679V47.6Very low40.3Very low133 Ų133120.9 Ų120.981%0.80679%0.79SS**  trans-123.2129.5-179.2-168.70000112.2
680P45.4Very low40.4Very low120 Ų120120.4 Ų120.478%0.77979%0.785SS**PPolyproline II helixtrans-87.2148162-10.929.3000112.8
681G38.1Very low40.3Very low75 Ų75122.9 Ų122.977%0.77380%0.797SS**PPolyproline II helixtrans-72161.1-175.700000115.9
682M43.8Very low40.4Very low182 Ų182123.9 Ų123.990%0.89780%0.797SS**PPolyproline II helixtrans-79.1138-175.1-62172.767.100113.8
683P45.7Very low40.6Very low124 Ų124123.6 Ų123.681%0.80579%0.794SS**PPolyproline II helixtrans-73.8126.1152.2-10.427.6000109.7
684G37.7Very low40.8Very low72 Ų72122.7 Ų122.774%0.74279%0.792SS**PPolyproline II helixtrans-77.9155174.600000112.8
685Q37.8Very low40.9Very low202 Ų202119.5 Ų119.594%0.94479%0.789SS**PPolyproline II helixtrans-96.4138.9164.6-73.7-169.8-8.100110.6
686S41.6Very low40.9Very low120 Ų120120 Ų12084%0.83979%0.794SS**PPolyproline II helixtrans-77.1142.1-166.6-46.60000113.6
687G45.6Very low41Very low58 Ų58118.4 Ų118.460%0.59880%0.801SS**PPolyproline II helixtrans-71.4164.7160.700000112.3
688P42.3Very low40.6Very low137 Ų137121.7 Ų121.789%0.8981%0.807SS**PPolyproline II helixtrans-64.7134.3175.227.7-34.1000111.2
689V41.8Very low40.6Very low148 Ų148122.1 Ų122.190%0.89781%0.812SS**PPolyproline II helixtrans-72.8132.7177.5178.70000109.7
690G39.8Very low39.9Very low67 Ų67126.1 Ų126.169%0.69182%0.818SS**  trans-87.6-174.6-17400000115.2
691L35.6Very low39.4Very low183 Ų183132.1 Ų132.196%0.95883%0.826SS**PPolyproline II helixtrans-88.1151.9169.8-76.9171.1000111.9
692Q39.1Very low39.9Very low186 Ų186131.8 Ų131.887%0.86982%0.822SS**PPolyproline II helixtrans-80.1127.5-166.1-175.3174.98.400112.6
693G43.5Very low39.5Very low58 Ų58129.2 Ų129.260%0.59882%0.819SS**PPolyproline II helixtrans-74.7147.2168.400000112.1
694P39.5Very low39Very low131 Ų131129.3 Ų129.385%0.85182%0.822SS**PPolyproline II helixtrans-68.9149.117729.3-34.6000112.1
695S39.5Very low39.3Very low117 Ų117129.3 Ų129.382%0.81882%0.822SS**PPolyproline II helixtrans-64.6136-170.7-53.60000114.6
696G38.6Very low39.1Very low71 Ų71124.3 Ų124.373%0.73282%0.816SS**PPolyproline II helixtrans-67.4139.2161.500000111.9
697A36.6Very low39.2Very low109 Ų109125 Ų12590%0.90182%0.818SS**PPolyproline II helixtrans-72.7158.4-178.600000113.2
698H35.5Very low39.4Very low200 Ų200125.6 Ų125.693%0.92682%0.823SS**PPolyproline II helixtrans-103.2140.2-173.7-110.558.2000113
699G38.1Very low39.1Very low71 Ų71125.3 Ų125.373%0.73282%0.822SS**  trans134.1138.2157.100000114.3
700K31.6Very low39.3Very low218 Ų218124.5 Ų124.595%0.94882%0.819SS**  cis-133.2170.24.7-74.4-178.2-179.8172.10112.3
701R36Very low39.2Very low246 Ų246125.4 Ų125.493%0.92883%0.828SS**  trans-121.4137.9-171.3167.2-166.6-72.6-133.2-0.9111.2
702G49Very low39.4Very low67 Ų67122.2 Ų122.269%0.69182%0.821SS**  trans86.8171.9155.500000116.2
703P34.8Very low39.8Very low128 Ų128119.2 Ų119.283%0.83182%0.818SS**  cis-114.9143.118.437.9-28.6000116.2
704S34Very low39.4Very low126 Ų126120.1 Ų120.188%0.88183%0.827SS**  trans-81.2150.3137.1-43.10000107.2
705G44Very low39.1Very low72 Ų72118.2 Ų118.274%0.74282%0.822SS**  cis167-179.42.200000107.8
706A34.7Very low38.9Very low98 Ų98120.6 Ų120.681%0.8183%0.826SS**  trans-145.1109.8175.800000112.3
707P43.1Very low38.7Very low135 Ų135121 Ų12188%0.87783%0.83SS**PPolyproline II helixtrans-67.4137.3168.1-18.532.7000111.3
708G50.9Low38.5Very low70 Ų70127.5 Ų127.572%0.72283%0.831SS**PPolyproline II helixtrans-89.8153179.300000114
709P35.7Very low38.4Very low131 Ų131123 Ų12385%0.85183%0.829SS**PPolyproline II helixtrans-87.1163.2171.535.5-34.1000112.9
710P44.9Very low38.2Very low131 Ų131122.9 Ų122.985%0.85183%0.828SS**  trans-117168.7-16326.9-6.7000115.5
711G37.7Very low38.6Very low85 Ų85119.4 Ų119.488%0.87683%0.825SS**  trans104.5126.8157.400000117.1
712S40.8Very low38.6Very low116 Ų116119.6 Ų119.681%0.81183%0.826SS**  trans-119.1-172.217165.90000108.9
713P47.4Very low38.3Very low123 Ų123120 Ų12080%0.79983%0.83SS**  cis-140.2177.3-2.241.6-23.6000116.8
714G35.7Very low38.5Very low77 Ų77125.2 Ų125.279%0.79483%0.833SS**  trans97.2156.1153.600000117.9
715A32.1Very low38.5Very low91 Ų91123.9 Ų123.975%0.75283%0.83SS**  cis-161.7158.3-10.400000113
716N34.8Very low38.5Very low168 Ų168124.2 Ų124.290%0.89883%0.833SS**  trans56.7117.7156.6-68-16.8000123
717G35.4Very low38.8Very low79 Ų79124.9 Ų124.981%0.81483%0.832SS**  trans107159.7144.700000117.6
718R31.4Very low38.6Very low245 Ų245123.6 Ų123.693%0.92583%0.833SS**  cis-167.2115.8-16-177.9-173.6-172.2-173.24.1111
719A33.5Very low38.3Very low105 Ų105123.9 Ų123.987%0.86884%0.835SS**  trans60.2164.8170.200000117
720G34.2Very low38.3Very low70 Ų70126.3 Ų126.372%0.72284%0.835SS**  cis144.2126.4-17.100000115.6
721T40.7Very low37.8Very low145 Ų145128.2 Ų128.289%0.8984%0.838SS**  trans-149.3122.4165.132.80000107.7
722R34.9Very low37.7Very low250 Ų250128 Ų12894%0.94384%0.835SS**  cis101.5104.120.1-168.5-172.6-175.2-178.13.2114.1
723G44.2Very low37.7Very low75 Ų75126.3 Ų126.377%0.77384%0.836SS**  trans144.3144.9151.900000113.5
724R38.1Very low37Very low238 Ų238130.2 Ų130.290%0.89884%0.843SS**  cis-166114.7-17.4-176.4-177.2176.1-178.4-1.2105.2
725A34.9Very low37.5Very low98 Ų98129.7 Ų129.781%0.8184%0.838SS**  75.6119.661.600000115.4
726G43.6Very low37.7Very low78 Ų78131.5 Ų131.580%0.80484%0.842SS**  trans152.4136.6173.500000110.7
727S40.8Very low38.2Very low113 Ų113129.3 Ų129.379%0.7984%0.837SS**  cis-157.8124.7-4.146.70000109
728A38.8Very low38.3Very low108 Ų108129 Ų12989%0.89383%0.834SS**  76.9140101.600000114.8
729G44.8Very low38.6Very low76 Ų76124.9 Ų124.978%0.78484%0.836SS**  cis-153.2-153.8-400000109.4
730Q35.7Very low38.6Very low181 Ų181129 Ų12985%0.84684%0.837SS**  cis-165.6110.6-4.4-174167.1-1.100106.9
731L34Very low39.3Very low172 Ų172128.4 Ų128.490%0.90183%0.831SS**  63.4123.8103.8-159.681.6000117.9
732G36.7Very low39.2Very low80 Ų80128.2 Ų128.283%0.82583%0.832SS**  trans105.1142.916600000114.6
733G38.9Very low39.3Very low80 Ų80120.8 Ų120.883%0.82583%0.825SS**  cis-162.5-173.2-0.700000112.1
734Q33.2Very low39.1Very low205 Ų205121 Ų12196%0.95883%0.827SS**  trans-81.5159-177.4-120.6168.2-16.200113.1
735G46.1Very low38.9Very low66 Ų66117 Ų11768%0.6882%0.822SS**  trans-73-169.1178.100000114.6
736P37.3Very low39.1Very low130 Ų130117.7 Ų117.784%0.84482%0.817SS**  -145.5-140.871.347.3-27.8000112.6
737P45.1Very low38.7Very low121 Ų121117.8 Ų117.879%0.78682%0.818SS**  trans-131143.5-131.132.7-8.1000119
738G38.3Very low38.3Very low73 Ų73118.3 Ų118.375%0.75382%0.817SS**  trans84.2134.3136.500000120.3
739V37.6Very low38.3Very low159 Ų159119.6 Ų119.696%0.96480%0.798SS**  trans-150.3164.1149.2-107.60000109.9
740Q33.6Very low38.2Very low190 Ų190118.4 Ų118.489%0.88879%0.787SS**  trans-96.4148.5-166.7178.7178.2-17.400112.4
741G48.1Very low38.7Very low58 Ų58113.8 Ų113.860%0.59877%0.772SS**  trans-100.4176.717200000113.6
742P38.6Very low39.1Very low141 Ų141111.7 Ų111.792%0.91676%0.758SS**  trans-105.4172.4165.837-28.5000112.8
743A36.5Very low39.4Very low95 Ų95110.6 Ų110.679%0.78575%0.747SS**  trans-105.3163.6-163.300000115.7
744G40.9Very low39.6Very low79 Ų79112.5 Ų112.581%0.81474%0.744SS**  trans-141.4126.2161.700000109.8
745I34.5Very low40.1Very low155 Ų155114.9 Ų114.980%0.79575%0.745SS**  trans-145174.5-169.618.4170.6000108.6
746P38.5Very low39.7Very low111 Ų111114.9 Ų114.972%0.72174%0.744SS**  cis-135.7156.1-2633.6-16000115.1
747G34.9Very low39.6Very low80 Ų80117 Ų11783%0.82575%0.747SS**  trans65.1-167.7154.100000118
748V33Very low39.7Very low125 Ų125116.8 Ų116.876%0.75875%0.746SS**  cis-144.6112-4.8-175.10000110.1
749R38.2Very low39.7Very low134 Ų134116.9 Ų116.951%0.50675%0.747SS.*  trans67147.7140.9-169.3174.6168.2-140.1-7.6121.6P1024 I1025R749-P1024 VanDerWaalsContact CZ-CG 3.47Å; R749-P1024 PolarHBondContact NH1-O 3.06Å; R749-P1024 VanDerWaalsContact NH2-CG 3.34Å; R749-P1024 PolarHBondContact NH2-O 3.5Å; R749-I1025 VanDerWaalsContact NH2-N 3.2Å
750G42.6Very low39.7Very low52 Ų52121.5 Ų121.554%0.53675%0.747SS.*  trans-85.5160.6177.400000116.1
751P47.1Very low40.2Very low83 Ų83121.9 Ų121.954%0.53975%0.749SS.*  trans-80.8167.6-176.233.8-37.1000114.6D1021 S1022P751-D1021 HydrophobicContact CB-CB 3.95Å; P751-D1021 HydrophobicContact CG-CB 4.45Å; P751-S1022 WeakPolarHBondContact CB-OG 3.39Å
752Q42.3Very low40.3Very low129 Ų129121.9 Ų121.960%0.60375%0.75SS**  trans-110.4134.2177.7172.9178.9-12.700108.7P1024Q752-P1024 HydrophobicContact CB-CB 4.38Å
753G41.8Very low40.3Very low57 Ų57121.8 Ų121.859%0.58875%0.749SS**  trans-66.4157.7-170.500000115.7
754P43.9Very low40.7Very low119 Ų119125.6 Ų125.677%0.77375%0.75SS**  trans-73.1161.3-172.629.1-36.1000114.5
755R44.1Very low40.9Very low256 Ų256125.3 Ų125.397%0.96675%0.747SS**  trans-141.6130.3-171.7171.4-173173.9-169-0.9111.2
756G37.6Very low41.2Very low65 Ų65125.5 Ų125.567%0.6775%0.749SS**  trans144.2157.3175.600000110.9
757L35.5Very low41.4Very low175 Ų175125.8 Ų125.892%0.91675%0.75SS**  cis-127.3167.98.8-79.2173.6000112.1
758P46.6Very low41.7Very low116 Ų116125.4 Ų125.475%0.75375%0.747SS**  trans-119.7154.8-143.738.3-27.2000117
759G38.8Very low41.9Very low76 Ų76129.8 Ų129.878%0.78476%0.755SS**  71.6122.4129.700000119.9
760R37Very low42Very low255 Ų255128.2 Ų128.296%0.96277%0.771SS**  trans-109.7141.5138.7-90.8-167.3168.4-149-4.4110.4
761Q44.9Very low41.9Very low198 Ų198129.2 Ų129.293%0.92578%0.781SS**  trans-80.1135.6-171.3-170.3173.41.200110.7
762G49.5Very low41.4Very low59 Ų59132.6 Ų132.661%0.60879%0.794SS**  trans-96.3175.1176.700000113.4
763P38.3Very low41.3Very low138 Ų138132.3 Ų132.390%0.89681%0.806SS**  trans-75.9142168.532-32.5000111.4
764Q45.8Very low41.3Very low175 Ų175132.8 Ų132.882%0.81881%0.811SS**  trans-80.2144.6-167.6176.2-178.3-5.400114.2
765G43.4Very low41.2Very low73 Ų73133.2 Ų133.275%0.75381%0.814SS**  trans-128.684.2173.200000113.6
766I41.3Very low41.1Very low160 Ų160130.3 Ų130.382%0.82181%0.811SS**  trans35.3111158.8-36.1178.3000118.9
767P42.8Very low41.4Very low116 Ų116130.2 Ų130.275%0.75381%0.81SS**  trans-93.5160.8178.3-4.824.3000117.2
768G41.5Very low41.6Very low73 Ų73131.2 Ų131.275%0.75381%0.81SS**  trans117.9146.8155.300000116
769K38Very low41.3Very low217 Ų217132 Ų13294%0.94381%0.813SS**  cis-147166.75.2-65.8-175.6-176.7-179.20112.3
770A39.4Very low41.7Very low101 Ų101131.9 Ų131.984%0.83581%0.811SS**  trans-82.5-179.517100000112.3
771G40.5Very low41.8Very low72 Ų72127.6 Ų127.674%0.74281%0.807SS**  cis-164.8-147.68.500000110.2
772L35.4Very low42.2Very low155 Ų155124 Ų12481%0.81280%0.801SS**  cis-173.9141.9-6.3-120.4173000109.9
773S41Very low42.2Very low122 Ų122125 Ų12585%0.85381%0.81SS**  trans56.6158.1162.750.90000120.2
774G42.6Very low42.2Very low68 Ų68128 Ų12870%0.70181%0.81SS**  cis-160.9-146.26.700000114
775P42Very low42.5Very low127 Ų127125.9 Ų125.983%0.82581%0.811SS**  -137.5160.6-105.740.7-25.1000120.3
776Q41.8Very low42.9Very low196 Ų196126.1 Ų126.192%0.91681%0.813SS**  trans58.9139.8140.2-171.9168.8-23.700124.5
777G43.9Very low42.8Very low63 Ų63128.5 Ų128.565%0.64982%0.818SS**  trans127.5141.8153.700000115.4
778E38Very low43.1Very low195 Ų195132.1 Ų132.191%0.91182%0.824SS**  cis-150.3-171.3-8.6-78.6-149.9121.400111.5
779T42.2Very low43.8Very low134 Ų134131.2 Ų131.282%0.82282%0.815SS**  trans-103.9154.5-161.4-56.20000115.1
780G45.6Very low43.9Very low72 Ų72127.2 Ų127.274%0.74281%0.811SS**  trans-139.1147.8165.500000112.2
781L39.1Very low44.2Very low165 Ų165128.9 Ų128.986%0.86481%0.811SS**PPolyproline II helixtrans-99.6160.6-159.4-67.7171.4000116.1
782P54.5Low44.5Very low124 Ų124128.2 Ų128.281%0.80580%0.804SS**PPolyproline II helixtrans-82.1148.1-171.3-12.230.2000116
783G49.7Very low44.7Very low78 Ų78127 Ų12780%0.80481%0.806SS**PPolyproline II helixtrans-85.4155.4169.100000113.8
784K38.1Very low45.4Very low202 Ų202127.7 Ų127.788%0.87881%0.808SS**PPolyproline II helixtrans-88.7154.2-171-60.1177.1-176.3176.70113
785P51.5Low45.2Very low131 Ų131127.9 Ų127.985%0.85181%0.809SS**PPolyproline II helixtrans-60.8137.8178.4-2434.6000114.2
786G52.6Low45Very low77 Ų77128.2 Ų128.279%0.79481%0.811SS**PPolyproline II helixtrans-78.8150.5171.600000112.6
787K38.7Very low45.3Very low211 Ų211123.6 Ų123.692%0.91781%0.807SS**PPolyproline II helixtrans-80.1149.1178.7-61.9179.8-178.8179.40111.2
788Q48.9Very low45.2Very low191 Ų191124.5 Ų124.589%0.89382%0.816SS**PPolyproline II helixtrans-63.9135177.8-175175.91.400111.9
789G56.1Low45.1Very low54 Ų54124 Ų12456%0.55781%0.811SS**PPolyproline II helixtrans-80.8158.3173.100000113
790P39.6Very low44.9Very low134 Ų134125.2 Ų125.287%0.8781%0.812SS**PPolyproline II helixtrans-72.1153.4-175.530.8-36000113
791T46.5Very low44.7Very low135 Ų135125.2 Ų125.283%0.82881%0.812SS**PPolyproline II helixtrans-78.2126.4173.5-56.80000110.5
792G47.5Very low44.5Very low58 Ų58124.7 Ų124.760%0.59881%0.81SS**PPolyproline II helixtrans-81.9153.9170.300000112.4
793P38.7Very low44.5Very low130 Ų130124.7 Ų124.784%0.84481%0.81SS**PPolyproline II helixtrans-77.1156.9-173.531.8-36.1000113.5
794P56.9Low44.4Very low137 Ų137124.3 Ų124.389%0.8981%0.806SS**PPolyproline II helixtrans-103.6163.1-173.416.73.8000114.8
795G37.1Very low44.3Very low71 Ų71123.4 Ų123.473%0.73281%0.805SS**  trans136.9170.8155.900000114.8
796P39.1Very low44.6Very low134 Ų134123.3 Ų123.387%0.8780%0.804SS**  cis-107.2178.3-1538.5-27.5000112.2
797A47.7Very low44.4Very low100 Ų100122.5 Ų122.583%0.82680%0.796SS**  trans-78.5134.7-172.200000114.7
798G41.1Very low44.7Very low81 Ų81118.1 Ų118.184%0.83579%0.789SS**  trans-84.3147.3145.900000109
799K36.1Very low45.2Very low186 Ų186115.2 Ų115.281%0.80979%0.787SS**  trans-117.6132-168.234.9172.8172.3170.10112
800D37.6Very low44.9Very low159 Ų159115.9 Ų115.985%0.8579%0.794SS**  trans53.3120.9153.5-43.4-34.9000119.6
801G41.7Very low45Very low72 Ų72116.2 Ų116.274%0.74279%0.793SS**  trans-148.5115.1148.300000106.3
802D35.8Very low45.1Very low153 Ų153116.5 Ų116.582%0.81880%0.795SS**  trans-58.3143.3-178.4-70.4-70.7000110.9G804D802-G804 PolarHBondContact O-N 3.22Å
803P54Low45Very low125 Ų125116.5 Ų116.581%0.81280%0.795SS**  trans-60.2104.2172.1-21.233.2000109.8E805P803-E805 PolarHBondContact O-N 3.35Å
804G46.5Very low44.8Very low69 Ų69119.3 Ų119.371%0.71180%0.797SS**  trans-53.9136.3179.800000111.2D802D802-G804 PolarHBondContact O-N 3.22Å
805E36.5Very low45.1Very low184 Ų184118.8 Ų118.886%0.8679%0.793SS**  trans-54.6134.8-175.9-64-169.2130.100110.8P803 G807P803-E805 PolarHBondContact O-N 3.35Å; E805-G807 PolarHBondContact O-N 3.34Å
806P58Low45.6Very low129 Ų129118.8 Ų118.884%0.83879%0.793SS**  trans-57.3111.9176-25.534.9000110.6
807G48.1Very low45.5Very low60 Ų60120.6 Ų120.662%0.61980%0.796SS**  trans-54.8141.8-178.200000111.7E805E805-G807 PolarHBondContact O-N 3.34Å
808P45Very low45.4Very low119 Ų119123 Ų12377%0.77380%0.8SS**  trans-58.1136.9-176.623.9-33.9000110.5G810P808-G810 PolarHBondContact O-N 2.98Å
809P59.1Low45.6Very low130 Ų130122.1 Ų122.184%0.84479%0.79SS**  trans-55.6115.3178.8-27.335.5000111.5T811P809-T811 PolarHBondContact O-N 3.25Å
810G49.9Very low45.9Very low68 Ų68119.7 Ų119.770%0.70180%0.797SS**  trans-60.9130.6-179.300000111.6P808 V812P808-G810 PolarHBondContact O-N 2.98Å; G810-V812 PolarHBondContact O-N 3.37Å
811T41.3Very low46.3Very low140 Ų140118.1 Ų118.186%0.85980%0.796SS**  trans-61.8118.8173.347.90000109.9P809 G813P809-T811 PolarHBondContact O-N 3.25Å; T811-G813 PolarHBondContact O-N 3.2Å; T811-G813 VanDerWaalsContact O-N 3.14Å
812V49.1Very low46.4Very low141 Ų141118.2 Ų118.286%0.85580%0.796SS**  trans-67.9110.5171.2176.60000108.1G810G810-V812 PolarHBondContact O-N 3.37Å
813G46.6Very low46.5Very low59 Ų59115.7 Ų115.761%0.60880%0.797SS**PPolyproline II helixtrans-69.1152.6170.700000111.6T811T811-G813 PolarHBondContact O-N 3.2Å; T811-G813 VanDerWaalsContact O-N 3.14Å
814E33.7Very low46.4Very low189 Ų189114.6 Ų114.688%0.88379%0.789SS**PPolyproline II helixtrans-67.6129.3-176.9-62.3-176.1121.100111.8G816E814-G816 PolarHBondContact O-N 3.34Å
815P62.8Low46.4Very low125 Ų125114.4 Ų114.481%0.81279%0.788SS**PPolyproline II helixtrans-67.2120.2165.9-17.732.1000110
816G47.3Very low46.6Very low71 Ų71112.6 Ų112.673%0.73277%0.773SS**PPolyproline II helixtrans-75.5154.7-173.700000115.6E814 V818E814-G816 PolarHBondContact O-N 3.34Å; G816-V818 PolarHBondContact O-N 2.81Å
817D37.5Very low46.4Very low173 Ų173109.7 Ų109.793%0.92575%0.751SS**  trans-72.7101.4-176.5-73.8-57.9000114.3
818V45.5Very low46.2Very low150 Ų150109 Ų10991%0.90974%0.744SS**  trans-147.2129.9160.1-175.10000108G816G816-V818 PolarHBondContact O-N 2.81Å
819G44.9Very low46.1Very low62 Ų62108.3 Ų108.364%0.63974%0.739SS**  cis-174.1155.2-6.700000108.1P821G819-P821 WeakPolarHBondContact O-CD 3.39Å
820S43.6Very low45.8Very low135 Ų135107.2 Ų107.294%0.94473%0.725SS**  trans-106.194-159.644.70000117.2
821P45.6Very low45.4Very low127 Ų127106.4 Ų106.483%0.82572%0.716SS**  trans-132.4146.4148.435.9-22.9000112.4G819G819-P821 WeakPolarHBondContact O-CD 3.39Å
822G43.7Very low45.4Very low73 Ų73106.9 Ų106.975%0.75371%0.711SS**  cis-162.5176.7-3.700000110.5
823A37.8Very low45.2Very low101 Ų101106.9 Ų106.984%0.83571%0.705SS**PPolyproline II helixtrans-74.9150.7-174.700000113.4
824P51.5Low45Very low101 Ų101106.1 Ų106.166%0.65670%0.696SS**PPolyproline II helixtrans-76.2147.1-168.9-15.831.7000115
825G47.3Very low45.2Very low66 Ų66104.2 Ų104.268%0.6869%0.689SS**PPolyproline II helixtrans-74.8150.9163.300000112.1
826R41.1Very low44.2Very low146 Ų146107.3 Ų107.355%0.55169%0.685SS**  trans-108.8110.7-175.4-64.9170.783.1148.218.1111D1052R826-D1052 VanDerWaalsContact CZ-CG 3.47Å; R826-D1052 IonicContact CZ-OD1 3.19Å; R826-D1052 IonicContact CZ-OD2 3.05Å; R826-D1052 IonicContact NE-OD1 3.75Å; R826-D1052 IonicContact NH1-OD1 2.77Å; R826-D1052 PolarHBondContact NH1-OD1 2.88Å; R826-D1052 IonicContact NH1-OD2 2.77Å; R826-D1052 PolarHBondContact NH1-OD2 2.7Å; R826-D1052 IonicContact NH2-OD1 3.65Å; R826-D1052 IonicContact NH2-OD2 2.74Å; R826-D1052 PolarHBondContact NH2-OD2 2.93Å
827D53Low44Very low68 Ų68105.5 Ų105.536%0.36467%0.666SS.*  trans-68.7169.4-176.833.8-55.5000116.2G1047 S1049 G1050D827-G1047 WeakPolarHBondContact CB-O 3.41Å; D827-S1049 VanDerWaalsContact CG-CA 3.48Å; D827-S1049 VanDerWaalsContact CG-N 3.31Å; D827-S1049 WeakPolarHBondContact O-CA 3.26Å; D827-S1049 WeakPolarHBondContact O-CB 3.41Å; D827-S1049 PolarHBondContact O-N 3.31Å; D827-S1049 PolarHBondContact O-OG 3.04Å; D827-S1049 WeakPolarHBondContact OD1-CA 3.41Å; D827-S1049 PolarHBondContact OD2-N 3.17Å; D827-S1049 VanDerWaalsContact OD2-N 3.1Å; D827-G1050 PolarHBondContact OD1-N 3.42Å
828G44.1Very low44Very low46 Ų46100.2 Ų100.247%0.47464%0.642SS.*  trans-136.5160.5-176.300000114.8
829P43.1Very low44.1Very low104 Ų10495.5 Ų95.568%0.67562%0.616SS**  trans-114.7139.8-141.138.8-31.5000118.9P1048P829-P1048 HydrophobicContact CB-CB 4.29Å
830I52.3Low44Very low107 Ų10795.5 Ų95.555%0.54962%0.616SS.*  trans53.2119.3134.7-52.8-177.8000122.4M832 P1045I830-M832 HydrophobicContact CG2-CG 4.32Å; I830-P1045 HydrophobicContact CB-CG 4.16Å; I830-P1045 HydrophobicContact CG1-CG 4.23Å; I830-P1045 HydrophobicContact CG2-CG 4.01Å
831G42.7Very low44.1Very low50 Ų5091.7 Ų91.752%0.51560%0.598SS.*  trans-165.4114.7140.900000109.1
832M40.7Very low44.7Very low150 Ų15092.2 Ų92.274%0.73960%0.601SS**  59.8126.575-63.4-176.171.300113.9I830I830-M832 HydrophobicContact CG2-CG 4.32Å
833I44.4Very low45Very low142 Ų14291.6 Ų91.673%0.72860%0.596SS**  cis-155156-4.6-113.7173.8000108.7
834G42.4Very low45.4Very low42 Ų4292.9 Ų92.943%0.43360%0.595SS.*  trans-175.1100.3170.700000114.3P1042G834-P1042 WeakPolarHBondContact O-CB 3.47Å; G834-P1042 WeakPolarHBondContact O-CD 3.46Å; G834-P1042 WeakPolarHBondContact O-CG 3.36Å
835M38.7Very low45.3Very low150 Ų15098.6 Ų98.674%0.73960%0.604SS**  trans-82.9164.2-160.9-59.7160.75800116.1
836R42.1Very low45.6Very low190 Ų19097.8 Ų97.872%0.71760%0.595SS**  trans82.2155.6155.7-81-167.7-160.2-177.410119.8E1039 T1040R836-E1039 WeakPolarHBondContact CB-OE2 3.3Å; R836-E1039 WeakPolarHBondContact CD-OE2 3.5Å; R836-E1039 HydrophobicContact CG-CB 4.17Å; R836-E1039 WeakPolarHBondContact CG-OE2 2.96Å; R836-T1040 CarbonylContact C-O 3.52Å; R836-T1040 WeakPolarHBondContact CA-O 3.5Å; R836-T1040 PolarHBondContact N-O 3.1Å
837G41.9Very low45.7Very low32 Ų3296.6 Ų96.633%0.3361%0.606SS.*  trans153.2-154.9-164.700000113.4E1039 T1040G837-E1039 PolarHBondContact N-OE2 3.03Å; G837-E1039 CarbonylContact O-C 3.41Å; G837-E1039 WeakPolarHBondContact O-CA 3.35Å; G837-E1039 WeakPolarHBondContact O-CB 3.35Å; G837-E1039 WeakPolarHBondContact O-CG 3.2Å; G837-T1040 PolarHBondContact N-O 3.48Å; G837-T1040 VanDerWaalsContact N-O 3.16Å; G837-T1040 PolarHBondContact O-N 3.42Å; G837-T1040 VanDerWaalsContact O-N 3.11Å
838S37.4Very low45.9Very low62 Ų6298.1 Ų98.143%0.43462%0.62SS.*  trans161.7151151390000114.1G1038 T1040S838-G1038 WeakPolarHBondContact OG-CA 3.17Å; S838-T1040 VanDerWaalsContact CA-OG1 3.26Å; S838-T1040 WeakPolarHBondContact CA-OG1 3.26Å
839S48.6Very low46.2Very low52 Ų5298.8 Ų98.836%0.36463%0.627SS.*  -176132.453.741.20000110.8G841 R1037S839-G841 PolarHBondContact O-N 3.16Å; S839-R1037 VanDerWaalsContact CB-CD 3.5Å; S839-R1037 PolarHBondContact O-NH2 3.32Å; S839-R1037 PolarHBondContact OG-NH1 2.91Å
840G42Very low46.3Very low62 Ų6299.6 Ų99.664%0.63963%0.632SS**  trans-58.5120.5-16100000116.7R1037G840-R1037 PolarHBondContact O-NH2 3.18Å
841G46.4Very low46.5Very low55 Ų55100.6 Ų100.657%0.56765%0.645SS**  trans-66.7-175.2166.700000112.9S839 G843S839-G841 PolarHBondContact O-N 3.16Å; G841-G843 PolarHBondContact O-N 2.82Å
842P57.5Low46.8Very low137 Ų137101.6 Ų101.689%0.8966%0.656SS**PPolyproline II helixtrans-56.6126.7-176.5-24.634.6000112.1
843G49.8Very low46.8Very low61 Ų61101.6 Ų101.663%0.62966%0.658SS**PPolyproline II helixtrans-60.5151.616100000109.5G841 R845G841-G843 PolarHBondContact O-N 2.82Å; G843-R845 PolarHBondContact O-N 2.81Å
844P46.6Very low47.1Very low128 Ų128100.3 Ų100.383%0.83166%0.662SS**PPolyproline II helixtrans-55.3143.6-178.824-34.1000110.5G846P844-G846 PolarHBondContact O-N 2.85Å
845R49.5Very low47.4Very low221 Ų221101.2 Ų101.283%0.83467%0.671SS**  trans-50.7108.8172.1173.7-179.1176.1-173.70107.9G843G843-R845 PolarHBondContact O-N 2.81Å
846G53.1Low47.7Very low48 Ų4898.1 Ų98.150%0.49566%0.662SS.*PPolyproline II helixtrans-54.6148.3172.600000109.6P844P844-G846 PolarHBondContact O-N 2.85Å
847P43.6Very low48.4Very low121 Ų12197.9 Ų97.979%0.78667%0.669SS**PPolyproline II helixtrans-51135.8176.323.4-33.7000108.5G849P847-G849 PolarHBondContact O-N 3.37Å
848P57.7Low48.8Very low100 Ų10099.3 Ų99.365%0.64968%0.684SS**PPolyproline II helixtrans-49.3122.5178.7-27.435.1000109.5
849G50.1Low48.9Very low60 Ų60100.6 Ų100.662%0.61970%0.699SS**PPolyproline II helixtrans-55.6142.6175.700000109P847P847-G849 PolarHBondContact O-N 3.37Å
850P45.2Very low49Very low121 Ų121103 Ų10379%0.78672%0.721SS**PPolyproline II helixtrans-52.1134.4178.123.1-33.6000108.7G852P850-G852 PolarHBondContact O-N 2.86Å
851P57.1Low49.3Very low128 Ų128103.2 Ų103.283%0.83172%0.723SS**PPolyproline II helixtrans-47.7118-177-3136.1000110.8L853P851-L853 PolarHBondContact O-N 2.88Å
852G48.5Very low49.1Very low71 Ų71106.9 Ų106.973%0.73274%0.737SS**PPolyproline II helixtrans-58.6128.8-175.300000109.6P850 S854P850-G852 PolarHBondContact O-N 2.86Å; G852-S854 PolarHBondContact O-N 3.25Å
853L39.2Very low48.4Very low151 Ų151107.1 Ų107.179%0.79174%0.736SS**  trans-47.4115.5180-69.5172.5000109.4P851 G855P851-L853 PolarHBondContact O-N 2.88Å; L853-G855 PolarHBondContact O-N 3.41Å; L853-G855 VanDerWaalsContact O-N 3.1Å
854S51.9Low48.3Very low115 Ų115107 Ų10780%0.80474%0.735SS**PPolyproline II helixtrans-58117.4-179.543.70000109G852G852-S854 PolarHBondContact O-N 3.25Å
855G49.2Very low47.9Very low61 Ų61107.2 Ų107.263%0.62974%0.737SS**PPolyproline II helixtrans-56.8151.6-179.500000111.5L853 Q857L853-G855 PolarHBondContact O-N 3.41Å; L853-G855 VanDerWaalsContact O-N 3.1Å; G855-Q857 PolarHBondContact O-N 3.05Å
856P44.3Very low47.7Very low84 Ų84105.7 Ų105.755%0.54574%0.739SS.*PPolyproline II helixtrans-57.2135.3-175.125.6-36.4000111.6G858P856-G858 PolarHBondContact O-N 2.81Å
857Q55.7Low47.3Very low185 Ų185106 Ų10686%0.86474%0.742SS**PPolyproline II helixtrans-53.7125.4173.4179.8175.7-18.200110G855G855-Q857 PolarHBondContact O-N 3.05Å
858G50.4Low46.9Very low63 Ų63106.7 Ų106.765%0.64975%0.747SS**PPolyproline II helixtrans-60.5146.1177.900000111.8P856P856-G858 PolarHBondContact O-N 2.81Å
859A39.5Very low46.5Very low89 Ų89111.1 Ų111.174%0.73676%0.759SS**PPolyproline II helixtrans-57.8142.4-178.300000112.2
860A50.8Low46.2Very low102 Ų102111 Ų11184%0.84376%0.757SS**PPolyproline II helixtrans-61.8140.5177.200000111.5
861G49.4Very low45.9Very low66 Ų66111.6 Ų111.668%0.6876%0.761SS**PPolyproline II helixtrans-66.6147.8173.400000111.8
862P41.3Very low45.3Very low132 Ų132117.7 Ų117.786%0.85777%0.768SS**PPolyproline II helixtrans-67.4144.6-176.828-35.2000112.5G864P862-G864 PolarHBondContact O-N 3Å
863T42.8Very low45Very low142 Ų142117.9 Ų117.987%0.87177%0.769SS**PPolyproline II helixtrans-57.8128.2-177.6-46.60000112.8
864G48.8Very low44.8Very low58 Ų58116.8 Ų116.860%0.59877%0.774SS**PPolyproline II helixtrans-68.2148.417000000112.2P862P862-G864 PolarHBondContact O-N 3Å
865P38.5Very low44.2Very low134 Ų134121.5 Ų121.587%0.8778%0.78SS**PPolyproline II helixtrans-69.7148.2-16928-35.7000113.8G867P865-G867 PolarHBondContact O-N 2.82Å
866Q45Very low43.9Very low189 Ų189122.1 Ų122.188%0.88379%0.787SS**PPolyproline II helixtrans-67.4123.1179.7-179.7176.4-400112.2
867G44Very low43.5Very low55 Ų55123.2 Ų123.257%0.56780%0.803SS**PPolyproline II helixtrans-73.6154.5168.700000112.9P865P865-G867 PolarHBondContact O-N 2.82Å
868P36.3Very low42.7Very low135 Ų135124.6 Ų124.688%0.87781%0.806SS**PPolyproline II helixtrans-77.9153.9-161.330.6-36.9000115.1
869Q49.2Very low42.7Very low192 Ų192124.6 Ų124.690%0.89781%0.806SS**PPolyproline II helixtrans-72.7122.2175.5-176.2176.715.200111.9
870G43.9Very low42.5Very low57 Ų57126.4 Ų126.459%0.58881%0.81SS**PPolyproline II helixtrans-77152.9169.500000113.1
871P38Very low42.3Very low134 Ų134127.6 Ų127.687%0.8781%0.809SS**PPolyproline II helixtrans-80.9158.3-164.631.6-36.9000115.7G873P871-G873 PolarHBondContact O-N 3.47Å; P871-G873 VanDerWaalsContact O-N 3.13Å
872R44Very low41.9Very low257 Ų257128.3 Ų128.397%0.9782%0.817SS**  trans-82.484.2-173.5-175-174.2170.8179.7-3.4113.9
873G42Very low41.6Very low74 Ų74127.7 Ų127.776%0.76382%0.816SS**  trans67169.413600000121.4P871P871-G873 PolarHBondContact O-N 3.47Å; P871-G873 VanDerWaalsContact O-N 3.13Å
874S36.5Very low41.5Very low128 Ų128130.2 Ų130.290%0.89582%0.817SS**  trans-148.4158.716362.40000110.4
875K39Very low41.4Very low214 Ų214130.2 Ų130.293%0.9382%0.818SS**  trans-119.2137.1-176.6170.3-168.7179.2-173.20106.5
876G41.8Very low41.4Very low74 Ų74130.1 Ų130.176%0.76382%0.817SS**  cis167.2166-0.700000107.9
877A36.7Very low41.4Very low108 Ų108129.9 Ų129.989%0.89382%0.816SS**  trans-132.1146.4179.600000112.2
878K39.7Very low41.6Very low214 Ų214129.8 Ų129.893%0.9382%0.815SS**  trans-94124.9-176.6-172.7179.9179.6-176.10109.5
879G48.8Very low41.8Very low62 Ų62129.3 Ų129.364%0.63981%0.812SS**  trans-89-176.9-177.600000114.7
880P35.8Very low41.9Very low127 Ų127125.7 Ų125.783%0.82581%0.805SS**  trans-79160.4169.534.8-34.5000111.8
881P47.2Very low42.1Very low128 Ų128126.2 Ų126.283%0.83181%0.811SS**  trans-90.8155.7-1790.720.1000113.3
882G40.6Very low42.2Very low81 Ų81129.3 Ų129.384%0.83581%0.813SS**  trans81103.3146.500000118.1
883S35.7Very low41.9Very low119 Ų119124.8 Ų124.883%0.83281%0.808SS**  trans-121.8119.7132.862.10000107.6
884E40.1Very low42.1Very low194 Ų194124.8 Ų124.891%0.90781%0.808SS**PPolyproline II helixtrans-52.4129.9-179.5-165.8162-145.600111.8
885G46.9Very low42.2Very low59 Ų59128.1 Ų128.161%0.60881%0.81SS**PPolyproline II helixtrans-86.2142.8169.800000109.5
886P37.5Very low42.2Very low132 Ų132127.1 Ų127.186%0.85781%0.809SS**PPolyproline II helixtrans-63.6140.8-173.326.2-34.6000112.1G888P886-G888 PolarHBondContact O-N 3.02Å
887E44.9Very low42.6Very low183 Ų183126.4 Ų126.486%0.85580%0.801SS**PPolyproline II helixtrans-51.8130.2168.9-171.9172.8-163.800110.5
888G49.6Very low42.7Very low53 Ų53127.4 Ų127.455%0.54680%0.799SS.*PPolyproline II helixtrans-70.7148.217300000110.4P886P886-G888 PolarHBondContact O-N 3.02Å
889P40.2Very low43.1Very low125 Ų125127 Ų12781%0.81280%0.8SS**PPolyproline II helixtrans-58.1137.9176.326-34000110
890P51.6Low43Very low116 Ų116127.3 Ų127.375%0.75380%0.804SS**PPolyproline II helixtrans-52.4144.8169.3-26.735.4000111.2
891G47.8Very low43Very low69 Ų69129.8 Ų129.871%0.71181%0.809SS**PPolyproline II helixtrans-63.7139.7172.200000110.4
892E39.1Very low42.8Very low198 Ų198128.6 Ų128.693%0.92581%0.81SS**PPolyproline II helixtrans-66.5133.2177.1-62.6178.7137.900110.1G894E892-G894 PolarHBondContact O-N 2.78Å
893D39.2Very low43.5Very low162 Ų162127.7 Ų127.787%0.86680%0.801SS**PPolyproline II helixtrans-62.5130.3-179.4-69.7-60000111.1
894G46Very low43.7Very low74 Ų74127.9 Ų127.976%0.76380%0.799SS**PPolyproline II helixtrans-71.1131.8177.300000111.8E892 Q896E892-G894 PolarHBondContact O-N 2.78Å; G894-Q896 PolarHBondContact O-N 2.86Å
895E37Very low44.5Very low198 Ų198124.8 Ų124.893%0.92580%0.796SS**PPolyproline II helixtrans-56.3130.7-179.5-66.7-171.112100112.4G897E895-G897 PolarHBondContact O-N 3.34Å; E895-G897 VanDerWaalsContact O-N 3.16Å
896Q40.8Very low44.9Very low194 Ų194125.5 Ų125.591%0.90780%0.803SS**  trans-68.3110.6178.4-177.1178.8-4.800110.5G894G894-Q896 PolarHBondContact O-N 2.86Å
897G49.8Very low45Very low58 Ų58128.1 Ų128.160%0.59880%0.804SS**PPolyproline II helixtrans-63146.3176.100000112.7E895E895-G897 PolarHBondContact O-N 3.34Å; E895-G897 VanDerWaalsContact O-N 3.16Å
898P39.3Very low45.5Very low130 Ų130125.4 Ų125.484%0.84480%0.802SS**PPolyproline II helixtrans-69.8148179.729.7-35.4000112.1G900P898-G900 PolarHBondContact O-N 2.8Å
899E46.1Very low45.8Very low204 Ų204126.4 Ų126.495%0.95381%0.812SS**PPolyproline II helixtrans-65.6118.7-178.4-168.1171.7-165.300111.7
900G48.6Very low46Very low70 Ų70128.9 Ų128.972%0.72282%0.818SS**PPolyproline II helixtrans-92.3134.6-177.200000112.8P898P898-G900 PolarHBondContact O-N 2.8Å
901L35.1Very low46.1Very low178 Ų178131.3 Ų131.393%0.93282%0.824SS**PPolyproline II helixtrans-60.6143.3-176.1-64.9170.4000113.3
902A43.5Very low46.6Very low104 Ų104131 Ų13186%0.8682%0.821SS**PPolyproline II helixtrans-62.2133.9178.200000112.6
903G54.9Low47Very low62 Ų62128 Ų12864%0.63982%0.818SS**PPolyproline II helixtrans-73156.6172.300000112.8
904P40.3Very low47.8Very low122 Ų122131.5 Ų131.579%0.79282%0.819SS**PPolyproline II helixtrans-67150.9176.829.5-35.2000111.5G906P904-G906 PolarHBondContact O-N 3.13Å
905P55.5Low48Very low130 Ų130131.2 Ų131.284%0.84482%0.816SS**PPolyproline II helixtrans-58134.6172-2333.9000111.7
906G55.4Low48.3Very low73 Ų73131.1 Ų131.175%0.75382%0.816SS**PPolyproline II helixtrans-70.1149.1175.300000112.5P904P904-G906 PolarHBondContact O-N 3.13Å
907E39.9Very low48.8Very low188 Ų188133 Ų13388%0.87982%0.815SS**PPolyproline II helixtrans-64.3141.7176.9-62.1-174.4135.700111.5G909E907-G909 PolarHBondContact O-N 3.46Å
908P56.4Low48.6Very low126 Ų126133.1 Ų133.182%0.81882%0.816SS**PPolyproline II helixtrans-60.3126.2173-23.434.3000111.7
909G55.8Low48.9Very low73 Ų73134.9 Ų134.975%0.75382%0.817SS**PPolyproline II helixtrans-63.4139.7175.900000112.2E907E907-G909 PolarHBondContact O-N 3.46Å
910L44.7Very low49.4Very low178 Ų178130.5 Ų130.593%0.93281%0.806SS**PPolyproline II helixtrans-64.9134.6179.3-66.3171.2000111.8G912L910-G912 PolarHBondContact O-N 3.13Å
911D53.8Low49.3Very low167 Ų167130.7 Ų130.789%0.89381%0.808SS**PPolyproline II helixtrans-58.7127.5177-82.7-48.6000112.2
912G57.7Low50.3Low62 Ų62128.4 Ų128.464%0.63980%0.803SS**PPolyproline II helixtrans-68.8145.1174.500000112.4L910 R914L910-G912 PolarHBondContact O-N 3.13Å; G912-R914 PolarHBondContact O-N 2.92Å; G912-R914 VanDerWaalsContact O-N 3.14Å
913P47.3Very low50.6Low135 Ų135132 Ų13288%0.87781%0.807SS**PPolyproline II helixtrans-61.9119.1-177.124.2-33.5000111.8G915P913-G915 PolarHBondContact O-N 2.72Å; P913-G915 VanDerWaalsContact O-N 3.15Å
914R55.8Low50.2Low235 Ų235131.8 Ų131.889%0.88781%0.805SS**  trans-53.9111.8-178.3-177-178.1-172.7169.34.8112.3G912G912-R914 PolarHBondContact O-N 2.92Å; G912-R914 VanDerWaalsContact O-N 3.14Å
915G50.6Low50.9Low68 Ų68132.4 Ų132.470%0.70181%0.809SS**PPolyproline II helixtrans-55.6138.5172.800000112.3P913P913-G915 PolarHBondContact O-N 2.72Å; P913-G915 VanDerWaalsContact O-N 3.15Å
916Q42.6Very low50.3Low197 Ų197133.3 Ų133.392%0.92181%0.812SS**PPolyproline II helixtrans-68.8141.1-178.7-68.1-172.3-0.100111.5
917R51.9Low49.6Very low233 Ų233132.9 Ų132.988%0.87981%0.808SS**PPolyproline II helixtrans-65.8130.9-177.2170.5-178.5-85.5179.3-8.8110.7
918G45.3Very low49.7Very low60 Ų60133.6 Ų133.662%0.61981%0.811SS**PPolyproline II helixtrans-61.5152174.900000113.7P920G918-P920 WeakPolarHBondContact O-CD 3.41Å
919I46.1Very low48.9Very low168 Ų168134.5 Ų134.586%0.86281%0.814SS**PPolyproline II helixtrans-75.9122.8-175.5-46.2171.7000109.9
920P55.6Low48.2Very low111 Ų111134.3 Ų134.372%0.72181%0.812SS**PPolyproline II helixtrans-69.8129.4169.1-16.431.8000110.6G918G918-P920 WeakPolarHBondContact O-CD 3.41Å
921G46.9Very low47.9Very low74 Ų74135.1 Ų135.176%0.76381%0.811SS**PPolyproline II helixtrans-73.5133.9177.800000112.4
922P56.3Low47.6Very low130 Ų130133.6 Ų133.684%0.84481%0.811SS**PPolyproline II helixtrans-73.4149.117230.4-33.7000111.9
923L49Very low46.7Very low180 Ų180134.2 Ų134.294%0.94282%0.817SS**PPolyproline II helixtrans-68.6143.2-177.8-168.267.6000112
924G47.5Very low46.5Very low58 Ų58137.2 Ų137.260%0.59882%0.819SS**PPolyproline II helixtrans-82.1162.4-179.700000114.7
925P54.1Low45.8Very low134 Ų134134.3 Ų134.387%0.8782%0.821SS**PPolyproline II helixtrans-74.1153.4173.431.7-34.8000112.4
926V44.2Very low45.2Very low149 Ų149134.4 Ų134.490%0.90382%0.822SS**PPolyproline II helixtrans-74.1146176.9178.20000110.7
927G39.9Very low45.1Very low65 Ų65136.4 Ų136.467%0.6782%0.821SS**  trans-100.3-165.8-176.600000115.5
928E41.9Very low45Very low202 Ų202131.8 Ų131.894%0.94482%0.821SS**  trans-103.5166.9176.7-64.7-170.5131.400112.6
929V40.3Very low45Very low146 Ų146132.2 Ų132.289%0.88583%0.826SS**  trans-133.1137-164.41740000112.8
930G39.6Very low45.3Very low69 Ų69130.5 Ų130.571%0.71183%0.825SS**  trans106.1150.7164.400000114.7
931Q38.5Very low44.7Very low194 Ų194134.5 Ų134.591%0.90784%0.835SS**  cis-142.3155.73.3-61.8179.8-1.700111.1
932P48.4Very low44.4Very low136 Ų136134 Ų13488%0.88383%0.83SS**  trans-102.8152.3177.237-31.3000115
933G39.5Very low43.7Very low74 Ų74137.7 Ų137.776%0.76384%0.836SS**  trans126.2147.517400000112.8
934Q42.6Very low43.3Very low199 Ų199141.1 Ų141.193%0.9384%0.836SS**  cis-145.8169.54.8-64180-11.600111.1
935D40.3Very low43Very low174 Ų174141.5 Ų141.593%0.9384%0.84SS**  trans-80.7156.3-177.8-69.4-67.8000116.4
936G38.2Very low42.6Very low69 Ų69142.2 Ų142.271%0.71184%0.842SS**  trans141.6137161.300000113.6
937R41.4Very low42.5Very low240 Ų240139.7 Ų139.791%0.90683%0.83SS**  cis-145.7158.68-61.9175.5177.3174.9-2110.8
938P48.8Very low42.6Very low135 Ų135140.4 Ų140.488%0.87784%0.838SS**  trans-63150.8166.6-20.433.6000113.1
939G46.4Very low42.5Very low70 Ų70139.7 Ų139.772%0.72283%0.832SS**  trans-108-172.9-174.800000115.8
940P52.7Low42.7Very low131 Ų131138.8 Ų138.885%0.85183%0.829SS**  trans-97.5127.4-174.735.2-31.5000114.8
941Q43.1Very low43Very low196 Ų196139.1 Ų139.192%0.91683%0.832SS**  trans-68.8147.1148.4167.2-169.5-31.400108.7
942G40.1Very low43.2Very low64 Ų64138 Ų13866%0.6683%0.832SS**  cis145.2154.73.300000109.5
943E42.1Very low43.2Very low207 Ų207137.5 Ų137.597%0.96783%0.828SS**  trans-123159.6178.3-73.1-151.6139.700114.3
944R40.1Very low43.8Very low251 Ų251137 Ų13795%0.94782%0.823SS**  trans-152.5121.5-170.1176-163.2-73-171.5-3.1112.3
945G41.4Very low43.9Very low67 Ų67133.3 Ų133.369%0.69182%0.817SS**  trans146.7150.3161.700000114.1
946V44.4Very low44.8Very low149 Ų149131.6 Ų131.690%0.90382%0.815SS**  cis-145.7142-6-169.30000110.9
947S43.4Very low45.3Very low95 Ų95131.8 Ų131.866%0.66482%0.817SS**  trans-11.7128.1170.2174.40000121.2
948G42.5Very low45Very low81 Ų81127.6 Ų127.684%0.83582%0.818SS**  trans-136.2128.9145.400000110.4
949K38.7Very low45Very low186 Ų186131.1 Ų131.181%0.80982%0.82SS**  trans-117.2168.4-172.2-64-178-175.8178.50111.4
950P45.4Very low45.1Very low127 Ų127131.5 Ų131.583%0.82582%0.823SS**  cis-128.1160-29.431.1-13.6000113.7
951G44.6Very low44.4Very low76 Ų76130 Ų13078%0.78482%0.822SS**PPolyproline II helixtrans-100.2159.5165.100000112.8
952L42.8Very low44.5Very low172 Ų172125.7 Ų125.790%0.90182%0.82SS**PPolyproline II helixtrans-74.4162.1-177.2-74.3168.1000113.5
953P49.6Very low44.9Very low124 Ų124126.4 Ų126.481%0.80583%0.827SS**PPolyproline II helixtrans-62.8133.1-170.7-24.335.2000115.1
954G51.4Low44.7Very low64 Ų64125.2 Ų125.266%0.6682%0.821SS**PPolyproline II helixtrans-79164.7166.300000113
955P44.6Very low44.8Very low121 Ų121120.4 Ų120.479%0.78682%0.82SS**PPolyproline II helixtrans-71.1151.6-173.728.9-35.6000113.4G957P955-G957 PolarHBondContact O-N 2.88Å
956P59.3Low44.7Very low138 Ų138120.3 Ų120.390%0.89682%0.819SS**PPolyproline II helixtrans-55.7129.3170.4-25.335.4000112.1
957G48.1Very low44.7Very low74 Ų74118.8 Ų118.876%0.76381%0.813SS**PPolyproline II helixtrans-89.5165.8-16300000116.7P955P955-G957 PolarHBondContact O-N 2.88Å
958V36.4Very low44.6Very low152 Ų152122.2 Ų122.292%0.92182%0.823SS**PPolyproline II helixtrans-67.4138.3169.3-74.10000111.6
959K48.4Very low44.6Very low209 Ų209122.1 Ų122.191%0.90982%0.822SS**PPolyproline II helixtrans-96.2129.7173.1-169175.6179.3-177.10109.5
960G48.1Very low44.4Very low77 Ų77121.9 Ų121.979%0.79482%0.824SS**  trans-72.2175.6-170.700000115.9
961A38.5Very low44Very low100 Ų100123.1 Ų123.183%0.82682%0.824SS**  trans-103.1152.3-169.200000114.6
962A43.7Very low43.9Very low106 Ų106122.6 Ų122.688%0.87682%0.818SS**  trans62138.5153.100000121.3
963G48.5Very low43.8Very low78 Ų78120.7 Ų120.780%0.80482%0.819SS**  trans-151.1136.8151.500000107
964E38.7Very low43.7Very low182 Ų182120.3 Ų120.385%0.8582%0.819SS**  trans-117.3177.6-174.1-65.3-172.4126.900112
965T41.8Very low43.4Very low151 Ų151120.7 Ų120.793%0.92682%0.823SS**  trans82.4136.8-178.8-31.70000113.6
966G40.7Very low43.3Very low65 Ų65123.1 Ų123.167%0.6783%0.829SS**  cis-153.3-172.65.300000113.4
967P44.5Very low43.1Very low117 Ų117122.5 Ų122.576%0.7683%0.825SS**  trans-110.1169.6-140.240.8-38.7000118.8
968D41.2Very low43.2Very low167 Ų167122.2 Ų122.289%0.89382%0.822SS**  trans72.3134.5153.1-61.5-21.1000122.8
969G42.5Very low43.7Very low78 Ų78120.2 Ų120.280%0.80481%0.814SS**  trans173.677.5-179.300000112.3
970Q34.8Very low44.2Very low182 Ų182116.3 Ų116.385%0.8581%0.811SS**  trans-65.3152.1167.8-75.7166.6-23.700110.5
971D36.8Very low44.2Very low153 Ų153116 Ų11682%0.81881%0.807SS**  cis-142.4166.16.9-96-42.7000110.7
972G41.7Very low44.5Very low64 Ų64115.1 Ų115.166%0.6681%0.808SS**  trans172.581.2172.100000115.7S974G972-S974 PolarHBondContact O-N 2.89Å; G972-S974 VanDerWaalsContact O-N 3.17Å
973S40.6Very low44.6Very low132 Ų132121.6 Ų121.692%0.92381%0.81SS**  trans-58.8115.4-177.256.60000113.4
974S48.3Very low44.5Very low117 Ų117120.7 Ų120.782%0.81880%0.8SS**  trans-123141.4173.8-62.80000110.2G972G972-S974 PolarHBondContact O-N 2.89Å; G972-S974 VanDerWaalsContact O-N 3.17Å
975G45.3Very low44.4Very low72 Ų72120.9 Ų120.974%0.74280%0.8SS**PPolyproline II helixtrans-71.5165.3-163.700000116.4
976L40.9Very low45Very low172 Ų172119.3 Ų119.390%0.90179%0.793SS**PPolyproline II helixtrans-54.9130.1172.1-71167.3000111G978L976-G978 PolarHBondContact O-N 3.01Å
977P55.9Low45.2Very low125 Ų125119.3 Ų119.381%0.81279%0.793SS**PPolyproline II helixtrans-58.2125.1165.7-2334.2000110
978G50.4Low45Very low68 Ų68126.1 Ų126.170%0.70180%0.804SS**PPolyproline II helixtrans-59.2141.318000000112L976L976-G978 PolarHBondContact O-N 3.01Å
979S45.9Very low45.4Very low109 Ų109123.7 Ų123.776%0.76280%0.8SS**PPolyproline II helixtrans-53128.9173.451.90000110.5G981S979-G981 PolarHBondContact O-N 2.92Å
980P59.3Low45.8Very low128 Ų128122.8 Ų122.883%0.83179%0.79SS**PPolyproline II helixtrans-52.3125174.6-27.535.4000110.7
981G48.3Very low46.4Very low70 Ų70119.8 Ų119.872%0.72279%0.787SS**PPolyproline II helixtrans-55.6140.1-174.700000112S979 R983S979-G981 PolarHBondContact O-N 2.92Å; G981-R983 PolarHBondContact O-N 3.33Å
982G45.9Very low47.4Very low81 Ų81118.7 Ų118.784%0.83579%0.788SS**  trans-53.2114.5-179.200000111.1G984G982-G984 PolarHBondContact O-N 2.94Å; G982-G984 VanDerWaalsContact O-N 3.11Å
983R45.9Very low48.2Very low243 Ų243118.6 Ų118.692%0.91779%0.787SS**PPolyproline II helixtrans-62.3116.3178.2-172.3178.7-172.5175.62.8108.2G981G981-R983 PolarHBondContact O-N 3.33Å
984G46.6Very low48.6Very low59 Ų59118 Ų11861%0.60878%0.78SS**PPolyproline II helixtrans-50.7145-175.300000112.9G982 P986G982-G984 PolarHBondContact O-N 2.94Å; G982-G984 VanDerWaalsContact O-N 3.11Å; G984-P986 WeakPolarHBondContact O-CD 3.48Å
985H36.3Very low49.3Very low185 Ų185118.4 Ų118.486%0.85678%0.78SS**PPolyproline II helixtrans-50.5123.3-175.1-50-73.9000110.8G987H985-G987 PolarHBondContact O-N 2.97Å; H985-G987 VanDerWaalsContact O-N 3.15Å
986P53.7Low49.9Very low119 Ų119117.9 Ų117.977%0.77377%0.774SS**PPolyproline II helixtrans-57.3122.1167.2-22.333.7000108.3G984G984-P986 WeakPolarHBondContact O-CD 3.48Å
987G44.5Very low50.6Low65 Ų65115.5 Ų115.567%0.6777%0.769SS**PPolyproline II helixtrans-54.1142.8177.100000110.4H985 S989H985-G987 PolarHBondContact O-N 2.97Å; H985-G987 VanDerWaalsContact O-N 3.15Å; G987-S989 PolarHBondContact O-N 2.73Å
988W39.8Very low50.9Low259 Ų259115.7 Ų115.798%0.98177%0.77SS**  trans-56.7108.2-177.4-76.50.9000110.7G990W988-G990 PolarHBondContact O-N 2.9Å; W988-G990 VanDerWaalsContact O-N 3.07Å
989S49.9Very low51.2Low117 Ų117115.3 Ų115.382%0.81877%0.766SS**  trans-54.1114.8163.9-56.30000107.8G987G987-S989 PolarHBondContact O-N 2.73Å
990G52.1Low51.5Low58 Ų58116.2 Ų116.260%0.59877%0.77SS**PPolyproline II helixtrans-52.8145173.100000110.2W988W988-G990 PolarHBondContact O-N 2.9Å; W988-G990 VanDerWaalsContact O-N 3.07Å
991P47.7Very low51.1Low120 Ų120117.8 Ų117.878%0.77977%0.771SS**PPolyproline II helixtrans-53.9135.7-18023.3-33.6000109.3G993P991-G993 PolarHBondContact O-N 3.38Å; P991-G993 VanDerWaalsContact O-N 3.14Å
992P57.8Low51.1Low129 Ų129117.9 Ų117.984%0.83877%0.773SS**PPolyproline II helixtrans-50.6125.9177-27.434.9000109.7
993G57.3Low50.9Low62 Ų62121 Ų12164%0.63978%0.775SS**PPolyproline II helixtrans-52.4139.3179.800000109.9P991P991-G993 PolarHBondContact O-N 3.38Å; P991-G993 VanDerWaalsContact O-N 3.14Å
994P49.9Very low51Low119 Ų119120 Ų12077%0.77377%0.771SS**PPolyproline II helixtrans-53.4137.3-175.922.5-33.5000109.4G996P994-G996 PolarHBondContact O-N 3.25Å; P994-G996 VanDerWaalsContact O-N 3.16Å
995P61.5Low51.1Low127 Ų127120.3 Ų120.383%0.82577%0.774SS**PPolyproline II helixtrans-48.9127.9177-28.135.1000109.8
996G59.4Low51.5Low60 Ų60118.7 Ų118.762%0.61977%0.772SS**PPolyproline II helixtrans-53141.4177.700000109.6P994P994-G996 PolarHBondContact O-N 3.25Å; P994-G996 VanDerWaalsContact O-N 3.16Å
997P55.3Low51.3Low123 Ų123118.6 Ų118.680%0.79977%0.772SS**PPolyproline II helixtrans-52.9138.9-179.323.5-34000109.1G999P997-G999 PolarHBondContact O-N 2.82Å
998P61.6Low51.2Low128 Ų128119.2 Ų119.283%0.83178%0.778SS**PPolyproline II helixtrans-47.4131.7176.5-28.835.3000110.1
999G56.3Low51.4Low60 Ų60115.7 Ų115.762%0.61977%0.773SS**PPolyproline II helixtrans-54.1138.8174.300000108.9P997 D1001P997-G999 PolarHBondContact O-N 2.82Å; G999-D1001 PolarHBondContact O-N 2.84Å
1000P51.7Low51.1Low129 Ų129117.3 Ų117.384%0.83877%0.77SS**PPolyproline II helixtrans-54.2132.6-177.123.9-34.3000109.4G1002P1000-G1002 PolarHBondContact O-N 2.73Å; P1000-G1002 VanDerWaalsContact O-N 3.09Å
1001D52.3Low50.8Low160 Ų160117.7 Ų117.786%0.85677%0.774SS**  trans-44.1118.8-170.2-73.9-50.9000111.2G999 V1003G999-D1001 PolarHBondContact O-N 2.84Å; D1001-V1003 PolarHBondContact O-N 2.81Å
1002G46.9Very low50.4Low73 Ų73121.9 Ų121.975%0.75378%0.776SS**  trans-55.1117.6-179.300000109P1000 R1004P1000-G1002 PolarHBondContact O-N 2.73Å; P1000-G1002 VanDerWaalsContact O-N 3.09Å; G1002-R1004 PolarHBondContact O-N 3.18Å
1003V42.3Very low49.9Very low146 Ų146121.6 Ų121.689%0.88577%0.774SS**  trans-49.3116.4-168.9-174.90000109.2D1001 G1005D1001-V1003 PolarHBondContact O-N 2.81Å; V1003-G1005 PolarHBondContact O-N 3.47Å
1004R48.9Very low49.2Very low221 Ų221122.4 Ų122.483%0.83478%0.782SS**  trans-48.5113.1-174.4178.6-179.4-176.9161.12109.4G1002 D1006G1002-R1004 PolarHBondContact O-N 3.18Å; R1004-D1006 PolarHBondContact O-N 3.13Å
1005G49Very low48.5Very low66 Ų66123 Ų12368%0.6878%0.778SS**PPolyproline II helixtrans-58.8125.6176.900000110.1V1003V1003-G1005 PolarHBondContact O-N 3.47Å
1006D43Very low48.1Very low151 Ų151123.1 Ų123.181%0.80778%0.78SS**PPolyproline II helixtrans-63.3141.3176.1-70.8-56.6000110.1R1004 G1008R1004-D1006 PolarHBondContact O-N 3.13Å; D1006-G1008 PolarHBondContact O-N 2.81Å
1007P49.6Very low47.4Very low118 Ų118123.8 Ų123.877%0.76679%0.787SS**PPolyproline II helixtrans-58.6131.9-179.8-24.834.9000112.4
1008G43.6Very low47.5Very low78 Ų78123.7 Ų123.780%0.80479%0.786SS**PPolyproline II helixtrans-70.4137.7-176.500000113.7D1006D1006-G1008 PolarHBondContact O-N 2.81Å
1009E43.2Very low46.7Very low185 Ų185124.1 Ų124.186%0.86479%0.788SS**PPolyproline II helixtrans-85.2158.2174.1-68.6-165129.600113.1
1010I43.7Very low45.9Very low151 Ų151124.5 Ų124.577%0.77479%0.792SS**PPolyproline II helixtrans-83126.5-169.9-61.1163.4000110.6Y1012I1010-Y1012 HydrophobicContact CG2-CD2 4.29Å; I1010-Y1012 HydrophobicContact CG2-CE2 3.65Å
1011G46.2Very low45.4Very low65 Ų65123 Ų12367%0.6778%0.777SS**  trans-111.6145.3-174.800000116
1012Y38.8Very low44.7Very low209 Ų209120 Ų12082%0.8277%0.769SS**  trans-157.9168.8172.9-64.2-74.5000109.6I1010I1010-Y1012 HydrophobicContact CG2-CD2 4.29Å; I1010-Y1012 HydrophobicContact CG2-CE2 3.65Å
1013P47.5Very low44.5Very low123 Ų123119.3 Ų119.380%0.79976%0.762SS**  -118.3176.8-5335.7-21.2000111.9
1014G43Very low44.8Very low78 Ų78114.9 Ų114.980%0.80474%0.736SS**PPolyproline II helixtrans-83.1167.4-163.400000119.6
1015N35.4Very low44.4Very low131 Ų131110.8 Ų110.870%0.70173%0.729SS**PPolyproline II helixtrans-93.5145.8-173-63-42.7000115.1
1016P52.1Low43.9Very low131 Ų131110.8 Ų110.885%0.85173%0.73SS**PPolyproline II helixtrans-73.6162.8159.6-16.732.5000114
1017G45.2Very low43.6Very low74 Ų74111.4 Ų111.476%0.76373%0.728SS**  trans-110177.8-167.800000118.6
1018P56.8Low43Very low120 Ų120111.3 Ų111.378%0.77973%0.725SS**  trans-107.9171.2-164.641.8-37000116.5
1019P44.9Very low42.7Very low137 Ų137111 Ų11189%0.8972%0.722SS**  -138-176.2114.835.6-20.7000112.2
1020G39.7Very low42.4Very low68 Ų68109.2 Ų109.270%0.70172%0.724SS**  cis178.9-177.3-0.500000112.2
1021D41.2Very low42.3Very low97 Ų97112 Ų11252%0.51973%0.731SS.*  trans-99.8163.4-169.7-47.7-82.5000114.3P751P751-D1021 HydrophobicContact CB-CB 3.95Å; P751-D1021 HydrophobicContact CG-CB 4.45Å
1022S38.6Very low42.4Very low98 Ų98112.1 Ų112.169%0.68573%0.732SS**  174.3157.969.1-56.10000112.7P751P751-S1022 WeakPolarHBondContact CB-OG 3.39Å
1023G42.3Very low42.4Very low59 Ų59107.3 Ų107.361%0.60873%0.726SS**  trans161.6115.1159.700000121.2
1024P47.6Very low42.5Very low53 Ų53108.4 Ų108.434%0.34472%0.719SS.*  trans-152.5171.6-154.337.7-12.3000122.4R749 Q752R749-P1024 VanDerWaalsContact CZ-CG 3.47Å; R749-P1024 PolarHBondContact NH1-O 3.06Å; R749-P1024 VanDerWaalsContact NH2-CG 3.34Å; R749-P1024 PolarHBondContact NH2-O 3.5Å; Q752-P1024 HydrophobicContact CB-CB 4.38Å
1025I41.5Very low42.2Very low134 Ų134105.5 Ų105.569%0.68769%0.689SS**  trans68.9154.8178.1-91.6171.9000118.5R749R749-I1025 VanDerWaalsContact NH2-N 3.2Å
1026G38Very low42.3Very low67 Ų67105 Ų10569%0.69168%0.682SS**  cis-164.8-157.62.900000111.7
1027E37.8Very low42Very low163 Ų163106.6 Ų106.676%0.76267%0.671SS**  cis-164.1170.8-2.5-142.3-167.4-120.300111.8
1028T36.7Very low41.7Very low117 Ų117105.8 Ų105.872%0.71866%0.663SS**  trans37111155-53.40000121.2
1029G36.8Very low40.7Very low72 Ų72105.9 Ų105.974%0.74265%0.653SS**  129.1176.689.500000112.4
1030T37.6Very low41Very low147 Ų147102.9 Ų102.990%0.90263%0.632SS**  cis-141.5-112.3-7.762.60000113.6
1031K41.8Very low41.4Very low209 Ų209101.9 Ų101.991%0.90962%0.622SS**  trans-166.2145.6-167.5-179.5-178.2179.2-178.50116.9
1032G47.5Very low41.3Very low68 Ų68100.7 Ų100.770%0.70162%0.619SS**  trans112.4173.7157.300000116.4
1033P37.7Very low42.1Very low108 Ų108102 Ų10270%0.70163%0.625SS**  cis-128.6-161.711.627.5-2.6000115.3M388M388-P1033 HydrophobicContact CG-CB 4.4Å; M388-P1033 HydrophobicContact CG-CG 4.19Å; M388-P1033 WeakPolarHBondContact CG-O 3.37Å; M388-P1033 HydrophobicContact SD-CB 4.38Å; M388-P1033 HydrophobicContact SD-CG 3.76Å
1034K49.6Very low42.5Very low146 Ų146102.3 Ų102.364%0.63563%0.629SS**  trans-145.8115.5-171.9-121.7-161.2133.1-140.50113.4M388 G389 K390M388-K1034 VanDerWaalsContact CG-CA 3.42Å; M388-K1034 VanDerWaalsContact CG-N 3.33Å; G389-K1034 CarbonylContact C-O 3.57Å; G389-K1034 VanDerWaalsContact N-C 3.25Å; G389-K1034 VanDerWaalsContact N-CA 3.28Å; G389-K1034 CarbonylContact O-C 3.57Å; G389-K1034 WeakPolarHBondContact O-CB 3.39Å; G389-K1034 WeakPolarHBondContact O-CD 3.38Å; G389-K1034 WeakPolarHBondContact O-CE 3.44Å; G389-K1034 WeakPolarHBondContact O-CG 3.43Å; G389-K1034 PolarHBondContact O-NZ 2.73Å; G389-K1034 VanDerWaalsContact O-NZ 3.15Å; K390-K1034 VanDerWaalsContact CA-O 3.26Å; K390-K1034 WeakPolarHBondContact CA-O 3.48Å
1035G37.6Very low42.3Very low17 Ų17102.1 Ų102.118%0.17563%0.628CS.*  trans175.7121.9160.900000120.6M388 G389 K390M388-G1035 VanDerWaalsContact C-C 3.43Å; M388-G1035 VanDerWaalsContact C-CA 3.47Å; M388-G1035 WeakPolarHBondContact CB-O 3.39Å; M388-G1035 VanDerWaalsContact CG-N 3.31Å; M388-G1035 CarbonylContact O-C 2.9Å; M388-G1035 WeakPolarHBondContact O-CA 3.42Å; M388-G1035 PolarHBondContact O-N 2.71Å; G389-G1035 VanDerWaalsContact C-CA 3.44Å; G389-G1035 VanDerWaalsContact C-N 3.29Å; K390-G1035 VanDerWaalsContact N-CA 3.27Å
1036Q36.8Very low43.1Very low121 Ų121100.4 Ų100.457%0.56563%0.625SS**  cis-145.1-83.912.8-162.1170.8-15.400120.4M388 K390M388-Q1036 PolarHBondContact O-N 2.91Å; K390-Q1036 HydrophobicContact CD-CB 4.27Å; K390-Q1036 HydrophobicContact CD-CG 4.26Å; K390-Q1036 VanDerWaalsContact CD-OE1 3.31Å; K390-Q1036 HydrophobicContact CG-CB 4.06Å; K390-Q1036 HydrophobicContact CG-CG 4.19Å
1037R46.7Very low44Very low163 Ų16399 Ų9962%0.61561%0.611SS**  trans-167.4143.6-167-126.6169.3167.1-153.916.1113.5S839 G840S839-R1037 VanDerWaalsContact CB-CD 3.5Å; S839-R1037 PolarHBondContact O-NH2 3.32Å; S839-R1037 PolarHBondContact OG-NH1 2.91Å; G840-R1037 PolarHBondContact O-NH2 3.18Å
1038G38.1Very low44.4Very low57 Ų5795.3 Ų95.359%0.58860%0.601SS**  trans145.6139.9161.900000115.8S838S838-G1038 WeakPolarHBondContact OG-CA 3.17Å
1039E37.3Very low45.3Very low122 Ų12292.2 Ų92.257%0.5758%0.584SS**  cis-141.5144.128.8-72.8-125.8155.300115.7R836 G837R836-E1039 WeakPolarHBondContact CB-OE2 3.3Å; R836-E1039 WeakPolarHBondContact CD-OE2 3.5Å; R836-E1039 HydrophobicContact CG-CB 4.17Å; R836-E1039 WeakPolarHBondContact CG-OE2 2.96Å; G837-E1039 PolarHBondContact N-OE2 3.03Å; G837-E1039 CarbonylContact O-C 3.41Å; G837-E1039 WeakPolarHBondContact O-CA 3.35Å; G837-E1039 WeakPolarHBondContact O-CB 3.35Å; G837-E1039 WeakPolarHBondContact O-CG 3.2Å
1040T50.8Low46Very low74 Ų7490.4 Ų90.445%0.45457%0.566SS.*PPolyproline II helixtrans-77.7133-178.8-73.60000113.3R836 G837 S838R836-T1040 CarbonylContact C-O 3.52Å; R836-T1040 WeakPolarHBondContact CA-O 3.5Å; R836-T1040 PolarHBondContact N-O 3.1Å; G837-T1040 PolarHBondContact N-O 3.48Å; G837-T1040 VanDerWaalsContact N-O 3.16Å; G837-T1040 PolarHBondContact O-N 3.42Å; G837-T1040 VanDerWaalsContact O-N 3.11Å; S838-T1040 VanDerWaalsContact CA-OG1 3.26Å; S838-T1040 WeakPolarHBondContact CA-OG1 3.26Å
1041G47Very low46.6Very low48 Ų4894.3 Ų94.350%0.49556%0.564SS.*PPolyproline II helixtrans-88.4172.8171.300000114.5
1042P40Very low47.5Very low71 Ų7189.1 Ų89.146%0.46155%0.546SS..PPolyproline II helixtrans-74.1168.4-175.434.7-36.9000112.1G834 G1044G834-P1042 WeakPolarHBondContact O-CB 3.47Å; G834-P1042 WeakPolarHBondContact O-CD 3.46Å; G834-P1042 WeakPolarHBondContact O-CG 3.36Å; P1042-G1044 PolarHBondContact O-N 2.99Å
1043P54.6Low47.9Very low125 Ų12588.9 Ų88.981%0.81254%0.544SS*.PPolyproline II helixtrans-51.2131.2164.8-24.634.9000111
1044G51.4Low48.4Very low66 Ų6689.2 Ų89.268%0.6855%0.549SS*.PPolyproline II helixtrans-68145.417100000110.4P1042P1042-G1044 PolarHBondContact O-N 2.99Å
1045P43.2Very low49.1Very low50 Ų5087.9 Ų87.933%0.32556%0.557SS.*PPolyproline II helixtrans-64.4165.6169.930.6-36.3000110.9I830I830-P1045 HydrophobicContact CB-CG 4.16Å; I830-P1045 HydrophobicContact CG1-CG 4.23Å; I830-P1045 HydrophobicContact CG2-CG 4.01Å
1046P58.5Low50.3Low97 Ų9789.8 Ų89.863%0.6358%0.578SS**PPolyproline II helixtrans-50.2147.9-178.7-29.736.6000114.5
1047G57Low51.3Low37 Ų3789.8 Ų89.838%0.38159%0.588SS.*PPolyproline II helixtrans-60.5154.2179.500000112.9D827D827-G1047 WeakPolarHBondContact CB-O 3.41Å
1048P45.6Very low52.3Low87 Ų8788 Ų8857%0.56560%0.597SS**PPolyproline II helixtrans-94.5123.3171.634.1-29.1000111.1P829 G1050P829-P1048 HydrophobicContact CB-CB 4.29Å; P1048-G1050 PolarHBondContact O-N 3.38Å
1049S55.2Low53.4Low51 Ų5188.2 Ų88.236%0.35760%0.599SS.*  trans12.396.9177.2-72.40000116.1D827 R1051D827-S1049 VanDerWaalsContact CG-CA 3.48Å; D827-S1049 VanDerWaalsContact CG-N 3.31Å; D827-S1049 WeakPolarHBondContact O-CA 3.26Å; D827-S1049 WeakPolarHBondContact O-CB 3.41Å; D827-S1049 PolarHBondContact O-N 3.31Å; D827-S1049 PolarHBondContact O-OG 3.04Å; D827-S1049 WeakPolarHBondContact OD1-CA 3.41Å; D827-S1049 PolarHBondContact OD2-N 3.17Å; D827-S1049 VanDerWaalsContact OD2-N 3.1Å; S1049-R1051 PolarHBondContact O-N 2.62Å
1050G52.2Low54.5Low35 Ų3588.4 Ų88.436%0.36161%0.612SS.*  trans-40.8107.8163.100000109.8D827 P1048 D1052D827-G1050 PolarHBondContact OD1-N 3.42Å; P1048-G1050 PolarHBondContact O-N 3.38Å; G1050-D1052 PolarHBondContact O-N 2.96Å
1051R50.5Low54.9Low228 Ų22893.1 Ų93.186%0.8663%0.63SS**  trans-61.5138.6-175.4-78.3179.6163.4-172.1-6.2108.9S1049 G1053S1049-R1051 PolarHBondContact O-N 2.62Å; R1051-G1053 PolarHBondContact O-N 3.49Å; R1051-G1053 VanDerWaalsContact O-N 3.08Å
1052D61.3Low55.3Low101 Ų10193.1 Ų93.154%0.5463%0.63SS.*  trans-44121.2171.6-48.7-59.9000108.4R826 G1050 S1054R826-D1052 VanDerWaalsContact CZ-CG 3.47Å; R826-D1052 IonicContact CZ-OD1 3.19Å; R826-D1052 IonicContact CZ-OD2 3.05Å; R826-D1052 IonicContact NE-OD1 3.75Å; R826-D1052 IonicContact NH1-OD1 2.77Å; R826-D1052 PolarHBondContact NH1-OD1 2.88Å; R826-D1052 IonicContact NH1-OD2 2.77Å; R826-D1052 PolarHBondContact NH1-OD2 2.7Å; R826-D1052 IonicContact NH2-OD1 3.65Å; R826-D1052 IonicContact NH2-OD2 2.74Å; R826-D1052 PolarHBondContact NH2-OD2 2.93Å; G1050-D1052 PolarHBondContact O-N 2.96Å; D1052-S1054 PolarHBondContact O-N 2.87Å
1053G54.1Low56.5Low63 Ų6395.4 Ų95.465%0.64965%0.645SS**  trans-52.7128-176.200000108.9R1051 S1055R1051-G1053 PolarHBondContact O-N 3.49Å; R1051-G1053 VanDerWaalsContact O-N 3.08Å; G1053-S1055 PolarHBondContact O-N 3.02Å
1054S49.8Very low56.9Low115 Ų11594.9 Ų94.980%0.80464%0.642SS**  trans-52.5119.2-179.254.80000108.6D1052 G1056D1052-S1054 PolarHBondContact O-N 2.87Å; S1054-G1056 PolarHBondContact O-N 3.21Å; S1054-G1056 VanDerWaalsContact O-N 3.15Å
1055S64.2Low56.9Low117 Ų11794.6 Ų94.682%0.81864%0.639SS**  trans-36.6122.9-178.9-55.80000109.7G1053G1053-S1055 PolarHBondContact O-N 3.02Å
1056G62.7Low57.6Low58 Ų5897.8 Ų97.860%0.59866%0.66SS**PPolyproline II helixtrans-48.6143.6-177.500000109.8S1054 P1058S1054-G1056 PolarHBondContact O-N 3.21Å; S1054-G1056 VanDerWaalsContact O-N 3.15Å; G1056-P1058 VanDerWaalsContact O-N 3.16Å
1057P57.7Low57.7Low120 Ų12099 Ų9978%0.77967%0.668SS**PPolyproline II helixtrans-50.213117624.1-33.4000107.6G1059P1057-G1059 PolarHBondContact O-N 3.3Å; P1057-G1059 VanDerWaalsContact O-N 3.11Å
1058P67Low57.1Low126 Ų126100.1 Ų100.182%0.81868%0.679SS**PPolyproline II helixtrans-47.1127.6178-29.135.2000108.5G1056G1056-P1058 VanDerWaalsContact O-N 3.16Å
1059G60.8Low57.3Low61 Ų61101.6 Ų101.663%0.62969%0.688SS**PPolyproline II helixtrans-47.9138.2-176.500000109.2P1057 M1061P1057-G1059 PolarHBondContact O-N 3.3Å; P1057-G1059 VanDerWaalsContact O-N 3.11Å; G1059-M1061 PolarHBondContact O-N 2.75Å
1060P61.5Low57Low127 Ų127104.8 Ų104.883%0.82571%0.708SS**PPolyproline II helixtrans-49.1121.4-171.921.4-33.4000108.2G1062P1060-G1062 PolarHBondContact O-N 2.79Å
1061M57.8Low56.3Low172 Ų172106.5 Ų106.585%0.84773%0.726SS**PPolyproline II helixtrans-48119.4-176.9-179.9177.57300107G1059G1059-M1061 PolarHBondContact O-N 2.75Å
1062G56.8Low55.7Low48 Ų48101.4 Ų101.450%0.49571%0.713SS.*PPolyproline II helixtrans-49.8144.5-171.400000109.9P1060 P1064P1060-G1062 PolarHBondContact O-N 2.79Å; G1062-P1064 VanDerWaalsContact O-N 3.14Å
1063P64.7Low54.4Low120 Ų120101.3 Ų101.378%0.77972%0.718SS**PPolyproline II helixtrans-47.5129.2-179.522-33.5000107.8G1065P1063-G1065 PolarHBondContact O-N 2.83Å
1064P63.2Low53.4Low114 Ų114103.5 Ų103.574%0.7472%0.724SS**PPolyproline II helixtrans-46.5121.5-174.9-30.435.1000108.9G1062G1062-P1064 VanDerWaalsContact O-N 3.14Å
1065G50.1Low52.6Low60 Ų60102.4 Ų102.462%0.61971%0.712SS**PPolyproline II helixtrans-48.6135.7-17200000109.1P1063P1063-G1065 PolarHBondContact O-N 2.83Å
1066P59.3Low50.9Low117 Ų117105.5 Ų105.576%0.7671%0.713SS**PPolyproline II helixtrans-48.5130.5-172.320.7-33.3000108.4G1068P1066-G1068 PolarHBondContact O-N 2.98Å
1067P60.9Low49.2Very low123 Ų123109.1 Ų109.180%0.79972%0.718SS**  trans-45.7119.7-171.2-31.235000109.8
1068G44.5Very low47.9Very low59 Ų59108.2 Ų108.261%0.60871%0.712SS**  trans-48.2130.5-169.300000109.4P1066P1066-G1068 PolarHBondContact O-N 2.98Å
1069P48.8Very low46.2Very low118 Ų118108.7 Ų108.777%0.76671%0.713SS**SBendtrans-48.8126.3-165.418.9-32.8000108.9G1071P1069-G1071 WeakPolarHBondContact O-CA 3.42Å; P1069-G1071 PolarHBondContact O-N 2.82Å
1070P49.8Very low44.9Very low118 Ų118112.9 Ų112.977%0.76672%0.719SS**  trans-42.7110.4-160.4-34.435.2000111.4M1072P1070-M1072 WeakPolarHBondContact O-CA 3.43Å; P1070-M1072 PolarHBondContact O-N 2.77Å
1071G35.9Very low43.4Very low72 Ų72111.8 Ų111.874%0.74272%0.715SS**  trans-48.5112.4-162.500000109.8P1069 P1073P1069-G1071 WeakPolarHBondContact O-CA 3.42Å; P1069-G1071 PolarHBondContact O-N 2.82Å; G1071-P1073 VanDerWaalsContact O-N 3.12Å
1072M38Very low42.1Very low120 Ų120114.9 Ų114.959%0.59172%0.717SS**  trans-31.9112.5-158.6-83.7-74.3-169.900110.7P1070 S1074 Y1205P1070-M1072 WeakPolarHBondContact O-CA 3.43Å; P1070-M1072 PolarHBondContact O-N 2.77Å; M1072-S1074 PolarHBondContact O-N 3.33Å; M1072-Y1205 HydrophobicContact CB-CE2 4.3Å; M1072-Y1205 HydrophobicContact CE-CD2 3.96Å; M1072-Y1205 HydrophobicContact CE-CE1 4.24Å; M1072-Y1205 HydrophobicContact CE-CE2 3.49Å; M1072-Y1205 VanDerWaalsContact CE-CE2 3.49Å; M1072-Y1205 HydrophobicContact CG-CD2 4.28Å; M1072-Y1205 HydrophobicContact CG-CE2 3.66Å; M1072-Y1205 HydrophobicContact SD-CD2 4.43Å; M1072-Y1205 HydrophobicContact SD-CE2 3.51Å; M1072-Y1205 VanDerWaalsContact SD-CE2 3.51Å
1073P34.1Very low40.8Very low99 Ų99119.9 Ų119.964%0.64373%0.732SS**  trans-53.2119.3-172.821.4-32.5000107.1G1071 V1075G1071-P1073 VanDerWaalsContact O-N 3.12Å; P1073-V1075 PolarHBondContact O-N 3.37Å
1074S34Very low39.3Very low110 Ų110121 Ų12177%0.76974%0.737SS**  trans-52.6115.6-171.539.20000107.2M1072 Q1076M1072-S1074 PolarHBondContact O-N 3.33Å; S1074-Q1076 PolarHBondContact O-N 3.33Å
1075V33.1Very low37.8Very low92 Ų92125.3 Ų125.356%0.55875%0.745SS**  trans-69.787.6-163.4-178.90000108.3P1073 L1077P1073-V1075 PolarHBondContact O-N 3.37Å; V1075-L1077 HydrophobicContact CG1-CG 4.49Å; V1075-L1077 PolarHBondContact O-N 3.1Å
1076Q28.5Very low36.9Very low182 Ų182126.7 Ų126.785%0.8575%0.75SS**  trans-52.399.1145.1-67.3-176.4-500103.9S1074 P1078S1074-Q1076 PolarHBondContact O-N 3.33Å; Q1076-P1078 VanDerWaalsContact O-N 3.15Å
1077L27.2Very low35.6Very low134 Ų134123.1 Ų123.170%0.70274%0.735SS**  trans-52.8128.2176.3-7187.7000105.7V1075 T1079V1075-L1077 HydrophobicContact CG1-CG 4.49Å; V1075-L1077 PolarHBondContact O-N 3.1Å; L1077-T1079 PolarHBondContact O-N 2.99Å
1078P30.3Very low34.4Very low100 Ų100122 Ų12265%0.64972%0.721SS**  trans-53.5118.2163.524.4-31.5000104.7Q1076 I1080Q1076-P1078 VanDerWaalsContact O-N 3.15Å; P1078-I1080 PolarHBondContact O-N 2.85Å
1079T30.6Very low34Very low137 Ų137125.4 Ų125.484%0.8473%0.725SS**  trans-72.185.8-178.9-61.60000105.8L1077 S1081L1077-T1079 PolarHBondContact O-N 2.99Å; T1079-S1081 VanDerWaalsContact C-N 3.3Å; T1079-S1081 PolarHBondContact O-N 3.32Å
1080I33.8Very low33.3Very low148 Ų148124.8 Ų124.876%0.75971%0.708SS**  trans-61.899.8179.3-66.3176.7000105.6P1078 R1082P1078-I1080 PolarHBondContact O-N 2.85Å; I1080-R1082 PolarHBondContact O-N 3.29Å
1081S30.6Very low32.6Very low104 Ų104119.5 Ų119.573%0.72767%0.674SS**  trans-58.3131.2-178.7-171.50000108.2T1079 N1083T1079-S1081 VanDerWaalsContact C-N 3.3Å; T1079-S1081 PolarHBondContact O-N 3.32Å; S1081-N1083 VanDerWaalsContact C-N 3.26Å; S1081-N1083 PolarHBondContact O-N 2.58Å
1082R29.9Very low32.7Very low238 Ų238121.5 Ų121.590%0.89867%0.668SS**SBendtrans-72.679.4-179-67.2-179.9179.8172.10.4110.1I1080I1080-R1082 PolarHBondContact O-N 3.29Å
1083N28.9Very low33.2Very low152 Ų152119.6 Ų119.681%0.81366%0.66SS**  trans-174103.1154.5-97.5-22.7000113.5S1081S1081-N1083 VanDerWaalsContact C-N 3.26Å; S1081-N1083 PolarHBondContact O-N 2.58Å
1084T34.2Very low33.9Very low144 Ų144116.9 Ų116.988%0.88364%0.642SS**  trans-159.5156.8135.517.30000109.8
1085K31.1Very low34.7Very low205 Ų205117.2 Ų117.289%0.89164%0.635SS**  trans-131.9150.3170.5-74179.2175.6177.70107.7
1086A31.5Very low35.2Very low89 Ų89114.5 Ų114.574%0.73662%0.622SS**  trans67.9151.5-171.300000113.6
1087G30.9Very low36.3Very low42 Ų42106 Ų10643%0.43358%0.583SS.*  cis115.1115.58.100000110.9E1104G1087-E1104 WeakPolarHBondContact CA-OE2 3.44Å; G1087-E1104 VanDerWaalsContact N-CD 3.29Å; G1087-E1104 PolarHBondContact N-OE1 3.21Å; G1087-E1104 PolarHBondContact N-OE2 2.95Å
1088N36.3Very low37.4Very low98 Ų98108.1 Ų108.152%0.52458%0.581SS.*  cis-155.3-166.50.9-10492.2000107.8E1104N1088-E1104 WeakPolarHBondContact CA-OE2 3.33Å
1089I37.2Very low38.4Very low132 Ų132109.4 Ų109.468%0.67758%0.582SS**SBend170.5-30.3124.4-87.4157.2000116.2T1102I1089-T1102 WeakPolarHBondContact CA-OG1 3.44Å; I1089-T1102 WeakPolarHBondContact CB-OG1 3.17Å; I1089-T1102 PolarHBondContact N-OG1 3.4Å
1090Y32.9Very low39Very low105 Ų105107.7 Ų107.741%0.41257%0.565SS.*SBendtrans-119.843.8178.5-64.5-64.7000110.5D1092 G1097 M1100 T1102 Y1103Y1090-D1092 PolarHBondContact O-N 3.43Å; Y1090-G1097 VanDerWaalsContact O-CA 3.28Å; Y1090-G1097 WeakPolarHBondContact O-CA 3.09Å; Y1090-M1100 HydrophobicContact CD1-CB 4.11Å; Y1090-M1100 HydrophobicContact CD2-CB 3.35Å; Y1090-M1100 WeakPolarHBondContact CD2-O 3.37Å; Y1090-M1100 HydrophobicContact CE1-CB 4.2Å; Y1090-M1100 HydrophobicContact CE1-CE 4.12Å; Y1090-M1100 HydrophobicContact CE2-CB 3.48Å; Y1090-M1100 VanDerWaalsContact CE2-CB 3.48Å; Y1090-M1100 HydrophobicContact CE2-CE 4.25Å; Y1090-M1100 HydrophobicContact CE2-CG 4.49Å; Y1090-M1100 WeakPolarHBondContact CE2-O 3.49Å; Y1090-M1100 HydrophobicContact CG-CB 3.72Å; Y1090-M1100 WeakPolarHBondContact OH-CE 3.41Å; Y1090-T1102 CarbonylContact C-O 3.25Å; Y1090-T1102 WeakPolarHBondContact CA-O 3.39Å; Y1090-T1102 WeakPolarHBondContact CB-OG1 3.32Å; Y1090-T1102 WeakPolarHBondContact CD2-OG1 3.37Å; Y1090-T1102 PolarHBondContact N-O 3.08Å; Y1090-T1102 PolarHBondContact N-OG1 2.93Å; Y1090-Y1103 WeakPolarHBondContact O-CA 3.5Å; Y1090-Y1103 PolarHBondContact O-N 3.05Å
1091A34.8Very low39.2Very low6 Ų6103.6 Ų103.65%0.0556%0.559CS.*THydrogen-bonded Turntrans-74.2-20.4-155.300000116.8T1102 Y1103 E1104A1091-T1102 PolarHBondContact N-O 3.1Å; A1091-Y1103 WeakPolarHBondContact O-CD2 3.21Å; A1091-Y1103 WeakPolarHBondContact O-CE2 3.33Å; A1091-E1104 WeakPolarHBondContact CB-O 3.41Å
1092D39.1Very low39.5Very low115 Ų115101 Ų10162%0.61554%0.539SS*.THydrogen-bonded Turntrans-126.510.1-160.2-56.7-68.7000114.6Y1090 S1106Y1090-D1092 PolarHBondContact O-N 3.43Å; D1092-S1106 VanDerWaalsContact OD1-CB 3.25Å; D1092-S1106 WeakPolarHBondContact OD1-CB 3.36Å; D1092-S1106 PolarHBondContact OD1-OG 3.37Å
1093D47.4Very low40Very low79 Ų7993.9 Ų93.942%0.42251%0.513SS..  trans-113.5112.3165.2-178.1-33.2000109.1L1095 A1096 G1097 Y1103D1093-L1095 PolarHBondContact O-N 2.97Å; D1093-L1095 VanDerWaalsContact O-N 3.12Å; D1093-L1095 WeakPolarHBondContact OD1-CA 3.02Å; D1093-L1095 PolarHBondContact OD1-N 3.41Å; D1093-A1096 HydrophobicContact CB-CB 3.89Å; D1093-A1096 VanDerWaalsContact CG-N 3.34Å; D1093-A1096 PolarHBondContact OD1-N 3.12Å; D1093-A1096 WeakPolarHBondContact OD2-CB 3.35Å; D1093-G1097 VanDerWaalsContact O-CA 3.31Å; D1093-G1097 WeakPolarHBondContact O-CA 2.98Å; D1093-G1097 PolarHBondContact O-N 3.33Å; D1093-Y1103 VanDerWaalsContact C-CE2 3.43Å; D1093-Y1103 WeakPolarHBondContact O-CD2 3.36Å; D1093-Y1103 WeakPolarHBondContact O-CE2 3.08Å
1094P49.8Very low40.8Very low43 Ų4390.3 Ų90.328%0.27949%0.491SS..THydrogen-bonded Turntrans-60.1-22.9-177.1-24.633.8000114.9R1098 Y1103P1094-R1098 VanDerWaalsContact O-CD 3.3Å; P1094-R1098 WeakPolarHBondContact O-CD 3.49Å; P1094-R1098 VanDerWaalsContact O-CG 3.3Å; P1094-R1098 WeakPolarHBondContact O-CG 3.22Å; P1094-Y1103 HydrophobicContact CB-CE2 4.37Å; P1094-Y1103 HydrophobicContact CG-CE2 4.24Å
1095L49.8Very low41.5Very low117 Ų11786.6 Ų86.661%0.61347%0.469SS*.THydrogen-bonded Turntrans-102.7-52-178.4-164.470.2000111.1D1093 G1097 R1098 I1099D1093-L1095 PolarHBondContact O-N 2.97Å; D1093-L1095 VanDerWaalsContact O-N 3.12Å; D1093-L1095 WeakPolarHBondContact OD1-CA 3.02Å; D1093-L1095 PolarHBondContact OD1-N 3.41Å; L1095-G1097 VanDerWaalsContact C-N 3.32Å; L1095-G1097 PolarHBondContact O-N 3.02Å; L1095-R1098 WeakPolarHBondContact O-CB 3.38Å; L1095-R1098 PolarHBondContact O-N 3.27Å; L1095-R1098 VanDerWaalsContact O-N 3.17Å; L1095-I1099 HydrophobicContact CG-CD1 4.06Å; L1095-I1099 WeakPolarHBondContact O-CD1 3.32Å; L1095-I1099 VanDerWaalsContact O-CG1 3.26Å; L1095-I1099 WeakPolarHBondContact O-CG1 3.07Å; L1095-I1099 PolarHBondContact O-N 2.69Å
1096A45.4Very low42.8Very low35 Ų3579.7 Ų79.729%0.28945%0.447SS..Hα-helixtrans-67.1-33.3177.400000111.9D1093 R1098 I1099 M1100D1093-A1096 HydrophobicContact CB-CB 3.89Å; D1093-A1096 VanDerWaalsContact CG-N 3.34Å; D1093-A1096 PolarHBondContact OD1-N 3.12Å; D1093-A1096 WeakPolarHBondContact OD2-CB 3.35Å; A1096-R1098 VanDerWaalsContact C-N 3.34Å; A1096-I1099 PolarHBondContact O-N 3.02Å; A1096-M1100 WeakPolarHBondContact O-CB 3.18Å; A1096-M1100 WeakPolarHBondContact O-CG 3.38Å; A1096-M1100 PolarHBondContact O-N 3.2Å
1097G50Low44.9Very low2 Ų283.3 Ų83.32%0.02144%0.442CS..Hα-helixtrans-68.9-29.9172.300000113.7Y1090 D1093 L1095 G1101 T1102 Y1103Y1090-G1097 VanDerWaalsContact O-CA 3.28Å; Y1090-G1097 WeakPolarHBondContact O-CA 3.09Å; D1093-G1097 VanDerWaalsContact O-CA 3.31Å; D1093-G1097 WeakPolarHBondContact O-CA 2.98Å; D1093-G1097 PolarHBondContact O-N 3.33Å; L1095-G1097 VanDerWaalsContact C-N 3.32Å; L1095-G1097 PolarHBondContact O-N 3.02Å; G1097-G1101 PolarHBondContact O-N 3.05Å; G1097-T1102 PolarHBondContact O-N 3.33Å; G1097-Y1103 PolarHBondContact O-N 2.97Å
1098R50.2Low47.6Very low179 Ų17981.9 Ų81.968%0.67542%0.424SS*.Hα-helixtrans-70.6-36.9168.5-88.1-179.8169.6150.7-4.5112.2P1094 L1095 A1096P1094-R1098 VanDerWaalsContact O-CD 3.3Å; P1094-R1098 WeakPolarHBondContact O-CD 3.49Å; P1094-R1098 VanDerWaalsContact O-CG 3.3Å; P1094-R1098 WeakPolarHBondContact O-CG 3.22Å; L1095-R1098 WeakPolarHBondContact O-CB 3.38Å; L1095-R1098 PolarHBondContact O-N 3.27Å; L1095-R1098 VanDerWaalsContact O-N 3.17Å; A1096-R1098 VanDerWaalsContact C-N 3.34Å
1099I52.3Low50.1Low128 Ų12885.7 Ų85.766%0.65643%0.431SS*.Hα-helixtrans-76-40.4-179.8-69.9163.7000111.8L1095 A1096L1095-I1099 HydrophobicContact CG-CD1 4.06Å; L1095-I1099 WeakPolarHBondContact O-CD1 3.32Å; L1095-I1099 VanDerWaalsContact O-CG1 3.26Å; L1095-I1099 WeakPolarHBondContact O-CG1 3.07Å; L1095-I1099 PolarHBondContact O-N 2.69Å; A1096-I1099 PolarHBondContact O-N 3.02Å
1100M43.5Very low52.7Low101 Ų10179.6 Ų79.650%0.49840%0.401SS..Hα-helixtrans-97.9-7.3-172.5-56.2-71.3-71.500113.3Y1090 A1096Y1090-M1100 HydrophobicContact CD1-CB 4.11Å; Y1090-M1100 HydrophobicContact CD2-CB 3.35Å; Y1090-M1100 WeakPolarHBondContact CD2-O 3.37Å; Y1090-M1100 HydrophobicContact CE1-CB 4.2Å; Y1090-M1100 HydrophobicContact CE1-CE 4.12Å; Y1090-M1100 HydrophobicContact CE2-CB 3.48Å; Y1090-M1100 VanDerWaalsContact CE2-CB 3.48Å; Y1090-M1100 HydrophobicContact CE2-CE 4.25Å; Y1090-M1100 HydrophobicContact CE2-CG 4.49Å; Y1090-M1100 WeakPolarHBondContact CE2-O 3.49Å; Y1090-M1100 HydrophobicContact CG-CB 3.72Å; Y1090-M1100 WeakPolarHBondContact OH-CE 3.41Å; A1096-M1100 WeakPolarHBondContact O-CB 3.18Å; A1096-M1100 WeakPolarHBondContact O-CG 3.38Å; A1096-M1100 PolarHBondContact O-N 3.2Å
1101G37Very low55.5Low61 Ų6177.4 Ų77.463%0.62940%0.399SS*.SBendtrans92.94.8160.400000117.8G1097G1097-G1101 PolarHBondContact O-N 3.05Å
1102T36.5Very low58.2Low49 Ų4983.7 Ų83.730%0.30142%0.421SS..  trans-134.342.7175.759.20000114I1089 Y1090 A1091 G1097 E1104I1089-T1102 WeakPolarHBondContact CA-OG1 3.44Å; I1089-T1102 WeakPolarHBondContact CB-OG1 3.17Å; I1089-T1102 PolarHBondContact N-OG1 3.4Å; Y1090-T1102 CarbonylContact C-O 3.25Å; Y1090-T1102 WeakPolarHBondContact CA-O 3.39Å; Y1090-T1102 WeakPolarHBondContact CB-OG1 3.32Å; Y1090-T1102 WeakPolarHBondContact CD2-OG1 3.37Å; Y1090-T1102 PolarHBondContact N-O 3.08Å; Y1090-T1102 PolarHBondContact N-OG1 2.93Å; A1091-T1102 PolarHBondContact N-O 3.1Å; G1097-T1102 PolarHBondContact O-N 3.33Å; T1102-E1104 PolarHBondContact O-N 3.43Å
1103Y40.9Very low60.5Low90 Ų9083 Ų8335%0.35343%0.425SS..  trans-6583.1158.4-163.1-103.7000110.3Y1090 A1091 D1093 P1094 G1097 P1105Y1090-Y1103 WeakPolarHBondContact O-CA 3.5Å; Y1090-Y1103 PolarHBondContact O-N 3.05Å; A1091-Y1103 WeakPolarHBondContact O-CD2 3.21Å; A1091-Y1103 WeakPolarHBondContact O-CE2 3.33Å; D1093-Y1103 VanDerWaalsContact C-CE2 3.43Å; D1093-Y1103 WeakPolarHBondContact O-CD2 3.36Å; D1093-Y1103 WeakPolarHBondContact O-CE2 3.08Å; P1094-Y1103 HydrophobicContact CB-CE2 4.37Å; P1094-Y1103 HydrophobicContact CG-CE2 4.24Å; G1097-Y1103 PolarHBondContact O-N 2.97Å; Y1103-P1105 HydrophobicContact CD1-CB 4.3Å; Y1103-P1105 HydrophobicContact CE1-CB 3.89Å; Y1103-P1105 VanDerWaalsContact O-CD 3.27Å; Y1103-P1105 WeakPolarHBondContact O-CD 3.3Å
1104E45.3Very low62.5Low77 Ų7780.2 Ų80.236%0.3641%0.413SS..  trans-91.596.6169.5-172.8166.6176.200108G1087 N1088 A1091 T1102 S1106G1087-E1104 WeakPolarHBondContact CA-OE2 3.44Å; G1087-E1104 VanDerWaalsContact N-CD 3.29Å; G1087-E1104 PolarHBondContact N-OE1 3.21Å; G1087-E1104 PolarHBondContact N-OE2 2.95Å; N1088-E1104 WeakPolarHBondContact CA-OE2 3.33Å; A1091-E1104 WeakPolarHBondContact CB-O 3.41Å; T1102-E1104 PolarHBondContact O-N 3.43Å; E1104-S1106 PolarHBondContact O-N 3.06Å
1105P50.1Low64.5Low65 Ų6579.3 Ų79.342%0.42241%0.408SS..  trans-59.5114.2-162.423-34.4000110.7Y1103 R1107Y1103-P1105 HydrophobicContact CD1-CB 4.3Å; Y1103-P1105 HydrophobicContact CE1-CB 3.89Å; Y1103-P1105 VanDerWaalsContact O-CD 3.27Å; Y1103-P1105 WeakPolarHBondContact O-CD 3.3Å; P1105-R1107 PolarHBondContact O-N 2.6Å
1106S57.6Low66.6Low60 Ų6073.8 Ų73.842%0.4238%0.379SS..  trans-55.9112.8177.146.60000108.6D1092 E1104 P1108D1092-S1106 VanDerWaalsContact OD1-CB 3.25Å; D1092-S1106 WeakPolarHBondContact OD1-CB 3.36Å; D1092-S1106 PolarHBondContact OD1-OG 3.37Å; E1104-S1106 PolarHBondContact O-N 3.06Å; S1106-P1108 VanDerWaalsContact O-N 3.12Å
1107R76Confident68.8Low166 Ų16675 Ų7563%0.62638%0.38SS*.  trans-41.2119.5-159.3-72.4-171-177.6-174.35.3111.3P1105 R1109 Y1125P1105-R1107 PolarHBondContact O-N 2.6Å; R1107-R1109 WeakPolarHBondContact O-CG 3.3Å; R1107-R1109 PolarHBondContact O-N 2.89Å; R1107-R1109 VanDerWaalsContact O-N 3.17Å; R1107-Y1125 HydrophobicContact CB-CD1 4.34Å; R1107-Y1125 HydrophobicContact CG-CD1 3.85Å; R1107-Y1125 HydrophobicContact CG-CE1 4.28Å
1108P87.3Confident71Confident11 Ų1175.5 Ų75.57%0.07138%0.383CS..  trans-60126-168.624.9-35.1000109.1S1106 P1115 A1116 L1122 Y1125 N1126S1106-P1108 VanDerWaalsContact O-N 3.12Å; P1108-P1115 VanDerWaalsContact CB-O 3.24Å; P1108-P1115 WeakPolarHBondContact CB-O 3.35Å; P1108-A1116 HydrophobicContact CB-CB 3.84Å; P1108-A1116 HydrophobicContact CG-CB 4.2Å; P1108-L1122 WeakPolarHBondContact O-CD1 3.44Å; P1108-Y1125 HydrophobicContact CG-CD2 3.91Å; P1108-Y1125 HydrophobicContact CG-CE2 4.43Å; P1108-Y1125 HydrophobicContact CG-CG 4.42Å; P1108-N1126 PolarHBondContact O-ND2 3.41Å
1109R89.7Confident73.2Confident178 Ų17867 Ų6767%0.67235%0.35SS*.  trans-94.6-8-174.6-64.8-173.9178.6-179.3-0.8112.6R1107 T1111 A1114R1107-R1109 WeakPolarHBondContact O-CG 3.3Å; R1107-R1109 PolarHBondContact O-N 2.89Å; R1107-R1109 VanDerWaalsContact O-N 3.17Å; R1109-T1111 HydrophobicContact CB-CG2 4.1Å; R1109-T1111 PolarHBondContact O-N 2.66Å; R1109-A1114 HydrophobicContact CB-CB 4.49Å; R1109-A1114 PolarHBondContact N-O 3.21Å
1110G91.2Very high75.2Confident4 Ų464.9 Ų64.94%0.04134%0.337CS..SBendtrans70.617.8-170.500000112.4A1114 W1135G1110-A1114 PolarHBondContact N-O 3.43Å; G1110-A1114 VanDerWaalsContact N-O 3.16Å; G1110-W1135 WeakPolarHBondContact CA-O 3.38Å; G1110-W1135 PolarHBondContact O-N 2.93Å
1111T92.5Very high77.6Confident59 Ų5962.5 Ų62.536%0.36232%0.324SS..BIsolated β-bridgetrans-94.4152.4173.251.70000109.5R1109 S1113 A1114 P1115R1109-T1111 HydrophobicContact CB-CG2 4.1Å; R1109-T1111 PolarHBondContact O-N 2.66Å; T1111-S1113 PolarHBondContact O-N 3.46Å; T1111-A1114 CarbonylContact O-C 3.59Å; T1111-A1114 WeakPolarHBondContact O-CA 3.19Å; T1111-A1114 PolarHBondContact O-N 3.48Å; T1111-P1115 VanDerWaalsContact O-N 3.14Å
1112R90.4Very high80.3Confident139 Ų13959.6 Ų59.653%0.52530%0.295SS..THydrogen-bonded Turntrans-55.3-31.1-174.7-164.3174.5-179-163.7-2.7114.8W1135 V1146R1112-W1135 HydrophobicContact CB-CB 4.48Å; R1112-W1135 HydrophobicContact CB-CD2 3.72Å; R1112-W1135 HydrophobicContact CB-CE3 4.25Å; R1112-W1135 HydrophobicContact CB-CG 3.8Å; R1112-W1135 HydrophobicContact CG-CD2 3.74Å; R1112-W1135 HydrophobicContact CG-CE3 3.73Å; R1112-W1135 HydrophobicContact CG-CG 4.27Å; R1112-W1135 HydrophobicContact CG-CH2 4.37Å; R1112-W1135 HydrophobicContact CG-CZ2 4.39Å; R1112-W1135 HydrophobicContact CG-CZ3 4.05Å; R1112-V1146 HydrophobicContact CG-CG2 3.63Å
1113S87.8Confident83Confident99 Ų9958 Ų5869%0.69229%0.288SS*.THydrogen-bonded Turntrans-88.3-4.9176.2530000115.2T1111T1111-S1113 PolarHBondContact O-N 3.46Å
1114A89.5Confident85.4Confident21 Ų2159.3 Ų59.317%0.17430%0.297CS..BIsolated β-bridgetrans-149.664.517700000109.6R1109 G1110 T1111R1109-A1114 HydrophobicContact CB-CB 4.49Å; R1109-A1114 PolarHBondContact N-O 3.21Å; G1110-A1114 PolarHBondContact N-O 3.43Å; G1110-A1114 VanDerWaalsContact N-O 3.16Å; T1111-A1114 CarbonylContact O-C 3.59Å; T1111-A1114 WeakPolarHBondContact O-CA 3.19Å; T1111-A1114 PolarHBondContact O-N 3.48Å
1115P92.4Very high87.4Confident25 Ų2560.3 Ų60.316%0.16230%0.298CS..  trans-68159.5-178.332.1-38.3000111.3P1108 T1111 W1135 D1137 I1143 V1146P1108-P1115 VanDerWaalsContact CB-O 3.24Å; P1108-P1115 WeakPolarHBondContact CB-O 3.35Å; T1111-P1115 VanDerWaalsContact O-N 3.14Å; P1115-W1135 WeakPolarHBondContact CA-O 3.2Å; P1115-D1137 HydrophobicContact CB-CB 4.12Å; P1115-D1137 HydrophobicContact CG-CB 3.94Å; P1115-I1143 HydrophobicContact CG-CG2 4.44Å; P1115-V1146 HydrophobicContact CB-CG1 3.98Å; P1115-V1146 HydrophobicContact CG-CG1 3.75Å
1116A92.8Very high89.3Confident1 Ų159.3 Ų59.31%0.00829%0.289CS..BIsolated β-bridgetrans-96.5159.1164.300000110.5P1108 T1118 L1122 W1135 I1136 D1137P1108-A1116 HydrophobicContact CB-CB 3.84Å; P1108-A1116 HydrophobicContact CG-CB 4.2Å; A1116-T1118 VanDerWaalsContact C-N 3.29Å; A1116-T1118 WeakPolarHBondContact CB-O 3.41Å; A1116-T1118 PolarHBondContact O-N 3.25Å; A1116-L1122 HydrophobicContact CB-CB 3.66Å; A1116-L1122 HydrophobicContact CB-CD1 4.3Å; A1116-L1122 HydrophobicContact CB-CG 4.42Å; A1116-W1135 PolarHBondContact N-O 3.21Å; A1116-I1136 HydrophobicContact CB-CG2 4.43Å; A1116-I1136 CarbonylContact O-C 3.58Å; A1116-I1136 WeakPolarHBondContact O-CA 3.39Å; A1116-I1136 WeakPolarHBondContact O-CB 3.43Å; A1116-D1137 PolarHBondContact O-N 3.1Å
1117L93Very high90.7Very high59 Ų5964.9 Ų64.931%0.30931%0.306SS..SBendtrans-63.9-39170.8-59177.4000111.3D1137 P1138L1117-D1137 WeakPolarHBondContact CA-O 3.24Å; L1117-D1137 WeakPolarHBondContact CD2-O 3.17Å; L1117-P1138 WeakPolarHBondContact O-CA 3.04Å
1118T94.7Very high91.4Very high13 Ų1364.6 Ų64.68%0.0832%0.317CS..SBendtrans-149162.7178.1600000111.4A1116 K1120 Q1121 L1122 L1203 H1206A1116-T1118 VanDerWaalsContact C-N 3.29Å; A1116-T1118 WeakPolarHBondContact CB-O 3.41Å; A1116-T1118 PolarHBondContact O-N 3.25Å; T1118-K1120 PolarHBondContact O-N 3.39Å; T1118-Q1121 PolarHBondContact O-N 3.09Å; T1118-Q1121 PolarHBondContact OG1-N 3.09Å; T1118-L1122 PolarHBondContact O-N 3.32Å; T1118-L1203 HydrophobicContact CG2-CD1 3.97Å; T1118-H1206 HydrophobicContact CG2-CB 3.75Å
1119C96.1Very high91.6Very high0 Ų066.3 Ų66.30%033%0.325CS..Hα-helixtrans-59.9-30.3172.4-67.60000113.1L1122 G1123 C1151 F1153 T1158C1119-L1122 PolarHBondContact O-N 3.37Å; C1119-G1123 PolarHBondContact O-N 3.45Å; C1119-C1151 VanDerWaalsContact CA-SG 3.53Å; C1119-C1151 HydrophobicContact CB-CB 3.42Å; C1119-C1151 VanDerWaalsContact CB-CB 3.42Å; C1119-C1151 WeakPolarHBondContact CB-SG 3.25Å; C1119-C1151 WeakPolarHBondContact SG-CA 3.33Å; C1119-C1151 WeakPolarHBondContact SG-CB 3.46Å; C1119-C1151 CovalentContact SG-SG 2.03Å; C1119-C1151 PolarHBondContact SG-SG 2.7Å; C1119-F1153 WeakPolarHBondContact O-CE1 3.47Å; C1119-T1158 WeakPolarHBondContact CB-OG1 3.43Å; C1119-T1158 PolarHBondContact N-OG1 3.15Å; C1119-T1158 VanDerWaalsContact N-OG1 3.13Å
1120K94.9Very high91.9Very high84 Ų8461.9 Ų61.937%0.36532%0.319SS..Hα-helixtrans-61.1-52.7172.9178.9176.3176.8-177.40111.6T1118 L1122 G1123 E1124T1118-K1120 PolarHBondContact O-N 3.39Å; K1120-L1122 VanDerWaalsContact C-N 3.29Å; K1120-L1122 PolarHBondContact O-N 2.77Å; K1120-G1123 PolarHBondContact O-N 3.14Å; K1120-E1124 WeakPolarHBondContact CE-OE1 3.25Å; K1120-E1124 WeakPolarHBondContact CG-OE1 3.44Å; K1120-E1124 WeakPolarHBondContact O-CG 3.16Å; K1120-E1124 PolarHBondContact O-N 3.23Å
1121Q93.3Very high92.1Very high52 Ų5264.7 Ų64.724%0.24333%0.333CS..Hα-helixtrans-59.2-42.6176.8-171-166.34400111T1118 G1123 E1124 Y1125T1118-Q1121 PolarHBondContact O-N 3.09Å; T1118-Q1121 PolarHBondContact OG1-N 3.09Å; Q1121-G1123 PolarHBondContact O-N 2.78Å; Q1121-E1124 PolarHBondContact O-N 3.5Å; Q1121-Y1125 HydrophobicContact CG-CD2 4Å; Q1121-Y1125 HydrophobicContact CG-CE2 3.95Å; Q1121-Y1125 WeakPolarHBondContact O-CD2 3.38Å; Q1121-Y1125 PolarHBondContact O-N 3.26Å; Q1121-Y1125 VanDerWaalsContact O-N 3.14Å
1122L94.1Very high92.3Very high0 Ų065.9 Ų65.90%034%0.338CS..Hα-helixtrans-59.2-44.3179.3-17858.3000112.7P1108 A1116 T1118 C1119 K1120 N1126 L1129 Y1134 F1153P1108-L1122 WeakPolarHBondContact O-CD1 3.44Å; A1116-L1122 HydrophobicContact CB-CB 3.66Å; A1116-L1122 HydrophobicContact CB-CD1 4.3Å; A1116-L1122 HydrophobicContact CB-CG 4.42Å; T1118-L1122 PolarHBondContact O-N 3.32Å; C1119-L1122 PolarHBondContact O-N 3.37Å; K1120-L1122 VanDerWaalsContact C-N 3.29Å; K1120-L1122 PolarHBondContact O-N 2.77Å; L1122-N1126 WeakPolarHBondContact O-CB 3.38Å; L1122-N1126 PolarHBondContact O-N 2.79Å; L1122-N1126 PolarHBondContact O-ND2 2.8Å; L1122-N1126 VanDerWaalsContact O-ND2 3.13Å; L1122-L1129 HydrophobicContact CD1-CD1 3.8Å; L1122-L1129 HydrophobicContact CD2-CD1 4.17Å; L1122-L1129 HydrophobicContact CG-CD1 3.71Å; L1122-Y1134 HydrophobicContact CD2-CD1 3.76Å; L1122-Y1134 HydrophobicContact CD2-CD2 4.04Å; L1122-Y1134 HydrophobicContact CD2-CG 3.48Å; L1122-Y1134 VanDerWaalsContact CD2-CG 3.48Å; L1122-F1153 HydrophobicContact CB-CE1 4.01Å; L1122-F1153 HydrophobicContact CD2-CE1 4.04Å; L1122-F1153 HydrophobicContact CD2-CZ 3.8Å; L1122-F1153 HydrophobicContact CG-CE1 3.87Å; L1122-F1153 HydrophobicContact CG-CZ 3.96Å
1123G93.1Very high92.5Very high15 Ų1561.7 Ų61.716%0.15532%0.322CS..Hα-helixtrans-72.3-31.217700000114.1C1119 K1120 Q1121 N1126 K1127 F1153C1119-G1123 PolarHBondContact O-N 3.45Å; K1120-G1123 PolarHBondContact O-N 3.14Å; Q1121-G1123 PolarHBondContact O-N 2.78Å; G1123-N1126 CarbonylContact O-C 3.03Å; G1123-K1127 PolarHBondContact O-N 3.12Å; G1123-F1153 VanDerWaalsContact CA-CD1 3.47Å
1124E91Very high92.9Very high117 Ų11758.3 Ų58.355%0.54729%0.294SS..Hα-helixtrans-64.1-39.4173.5-75.5171.7-17100111.7K1120 Q1121K1120-E1124 WeakPolarHBondContact CE-OE1 3.25Å; K1120-E1124 WeakPolarHBondContact CG-OE1 3.44Å; K1120-E1124 WeakPolarHBondContact O-CG 3.16Å; K1120-E1124 PolarHBondContact O-N 3.23Å; Q1121-E1124 PolarHBondContact O-N 3.5Å
1125Y89.1Confident93.1Very high98 Ų9860.4 Ų60.438%0.38430%0.298SS..Hα-helixtrans-78.6-35.1174.9-81.8-75.2000114.2R1107 P1108 Q1121R1107-Y1125 HydrophobicContact CB-CD1 4.34Å; R1107-Y1125 HydrophobicContact CG-CD1 3.85Å; R1107-Y1125 HydrophobicContact CG-CE1 4.28Å; P1108-Y1125 HydrophobicContact CG-CD2 3.91Å; P1108-Y1125 HydrophobicContact CG-CE2 4.43Å; P1108-Y1125 HydrophobicContact CG-CG 4.42Å; Q1121-Y1125 HydrophobicContact CG-CD2 4Å; Q1121-Y1125 HydrophobicContact CG-CE2 3.95Å; Q1121-Y1125 WeakPolarHBondContact O-CD2 3.38Å; Q1121-Y1125 PolarHBondContact O-N 3.26Å; Q1121-Y1125 VanDerWaalsContact O-N 3.14Å
1126N89.5Confident93.2Very high44 Ų4459.2 Ų59.224%0.23529%0.29CS..  trans-129.872.4-170.9-50.5-80.4000111.4P1108 L1122 G1123 N1128 L1129P1108-N1126 PolarHBondContact O-ND2 3.41Å; L1122-N1126 WeakPolarHBondContact O-CB 3.38Å; L1122-N1126 PolarHBondContact O-N 2.79Å; L1122-N1126 PolarHBondContact O-ND2 2.8Å; L1122-N1126 VanDerWaalsContact O-ND2 3.13Å; G1123-N1126 CarbonylContact O-C 3.03Å; N1126-N1128 PolarHBondContact O-N 3.15Å; N1126-L1129 HydrophobicContact CB-CD1 3.61Å; N1126-L1129 HydrophobicContact CB-CG 3.73Å; N1126-L1129 PolarHBondContact O-N 3.02Å
1127K87.3Confident93.2Very high178 Ų17859.6 Ų59.677%0.77429%0.292SS*.THydrogen-bonded Turntrans-59.6-9.5-172-61.4-171.1176.4-171.60117G1123G1123-K1127 PolarHBondContact O-N 3.12Å
1128N89.1Confident93.3Very high159 Ų15956.8 Ų56.885%0.8528%0.278SS*.THydrogen-bonded Turntrans-1099.3-175.6-62.910.4000112.9N1126N1126-N1128 PolarHBondContact O-N 3.15Å
1129L91.9Very high93.1Very high48 Ų4857 Ų5725%0.25128%0.278SS..  trans-71.7137.2175.4-71178000111.4L1122 N1126 Y1134 F1153L1122-L1129 HydrophobicContact CD1-CD1 3.8Å; L1122-L1129 HydrophobicContact CD2-CD1 4.17Å; L1122-L1129 HydrophobicContact CG-CD1 3.71Å; N1126-L1129 HydrophobicContact CB-CD1 3.61Å; N1126-L1129 HydrophobicContact CB-CG 3.73Å; N1126-L1129 PolarHBondContact O-N 3.02Å; L1129-Y1134 HydrophobicContact CD1-CE1 3.96Å; L1129-Y1134 HydrophobicContact CD2-CE1 4.05Å; L1129-Y1134 HydrophobicContact CG-CE1 4.45Å; L1129-F1153 HydrophobicContact CB-CD2 3.92Å; L1129-F1153 HydrophobicContact CB-CE2 3.4Å; L1129-F1153 HydrophobicContact CB-CZ 3.83Å; L1129-F1153 HydrophobicContact CD1-CE2 4.28Å; L1129-F1153 HydrophobicContact CD1-CZ 3.84Å; L1129-F1153 HydrophobicContact CG-CE2 4.49Å; L1129-F1153 VanDerWaalsContact O-CD2 3.29Å; L1129-F1153 WeakPolarHBondContact O-CD2 3.48Å
1130P96.1Very high92.6Very high85 Ų8558 Ų5855%0.55229%0.289SS*.  trans-75.9151.1171.232.3-35.5000111.4D1132 Y1134 F1153P1130-D1132 PolarHBondContact O-N 2.84Å; P1130-D1132 VanDerWaalsContact O-N 3.09Å; P1130-Y1134 WeakPolarHBondContact CD-OH 3.35Å; P1130-Y1134 WeakPolarHBondContact O-CE2 3.43Å; P1130-Y1134 PolarHBondContact O-OH 2.92Å; P1130-F1153 VanDerWaalsContact O-CE2 3.3Å; P1130-F1153 WeakPolarHBondContact O-CE2 3.49Å
1131D96.5Very high91.8Very high62 Ų6258.3 Ų58.333%0.33229%0.294SS..SBendtrans-61109.9174.1-66.7-8.8000109.9Y1150 C1151 K1152 F1153D1131-Y1150 HydrophobicContact CB-CE1 4.42Å; D1131-Y1150 PolarHBondContact O-OH 3.01Å; D1131-C1151 CarbonylContact C-O 3.58Å; D1131-C1151 WeakPolarHBondContact CA-O 3.14Å; D1131-C1151 WeakPolarHBondContact CB-O 3.47Å; D1131-K1152 WeakPolarHBondContact OD1-CA 3.4Å; D1131-F1153 PolarHBondContact OD1-N 3.32Å
1132D96.1Very high91.2Very high85 Ų8559.9 Ų59.946%0.45530%0.301SS..EExtended strand (participates in β ladder)trans-160.6-176.1-172.9-157-5.2000111.5P1130 Y1134 C1151P1130-D1132 PolarHBondContact O-N 2.84Å; P1130-D1132 VanDerWaalsContact O-N 3.09Å; D1132-Y1134 HydrophobicContact CB-CE2 3.81Å; D1132-Y1134 WeakPolarHBondContact O-CD2 3.36Å; D1132-Y1134 WeakPolarHBondContact O-CE2 3.31Å; D1132-C1151 PolarHBondContact N-O 3.47Å; D1132-C1151 PolarHBondContact O-N 3.09Å
1133Y95.4Very high90.6Very high50 Ų5064.1 Ų64.120%0.19632%0.323CS..EExtended strand (participates in β ladder)trans-87.7104.2-179.2-73.5-84.2000113.7Q1148 A1149 Y1150 R1161 E1304Y1133-Q1148 PolarHBondContact O-NE2 3.47Å; Y1133-Q1148 VanDerWaalsContact O-NE2 3.12Å; Y1133-A1149 CarbonylContact C-O 3.55Å; Y1133-A1149 WeakPolarHBondContact CA-O 3.45Å; Y1133-Y1150 HydrophobicContact CD1-CD2 4.31Å; Y1133-Y1150 AromaticContact CD2-CD2 3.63Å; Y1133-Y1150 HydrophobicContact CD2-CD2 3.63Å; Y1133-Y1150 HydrophobicContact CD2-CE2 4.26Å; Y1133-Y1150 VanDerWaalsContact CE1-CB 3.5Å; Y1133-Y1150 HydrophobicContact CE1-CD2 4.03Å; Y1133-Y1150 HydrophobicContact CE1-CG 4.22Å; Y1133-Y1150 AromaticContact CE2-CD2 3.29Å; Y1133-Y1150 HydrophobicContact CE2-CD2 3.29Å; Y1133-Y1150 AromaticContact CE2-CE2 3.89Å; Y1133-Y1150 HydrophobicContact CE2-CE2 3.89Å; Y1133-Y1150 HydrophobicContact CE2-CG 4.18Å; Y1133-Y1150 HydrophobicContact CG-CD2 4.09Å; Y1133-Y1150 AromaticContact CZ-CD2 3.44Å; Y1133-Y1150 VanDerWaalsContact CZ-CD2 3.44Å; Y1133-Y1150 AromaticContact CZ-CG 3.86Å; Y1133-R1161 HydrophobicContact CE1-CG 4.41Å; Y1133-R1161 VanDerWaalsContact CZ-NE 3.3Å; Y1133-R1161 VanDerWaalsContact OH-CZ 3.27Å; Y1133-R1161 PolarHBondContact OH-NE 3.06Å; Y1133-R1161 PolarHBondContact OH-NH2 3.01Å; Y1133-E1304 PolarHBondContact OH-OE1 3.41Å; Y1133-E1304 PolarHBondContact OH-OE2 2.77Å; Y1133-E1304 VanDerWaalsContact OH-OE2 3.05Å
1134Y95.5Very high90Very high28 Ų2868.7 Ų68.711%0.1134%0.344CS..EExtended strand (participates in β ladder)trans-108.1159178.2-60.3-91.6000111.9L1122 L1129 P1130 D1132 Q1148 A1149 C1151 F1153L1122-Y1134 HydrophobicContact CD2-CD1 3.76Å; L1122-Y1134 HydrophobicContact CD2-CD2 4.04Å; L1122-Y1134 HydrophobicContact CD2-CG 3.48Å; L1122-Y1134 VanDerWaalsContact CD2-CG 3.48Å; L1129-Y1134 HydrophobicContact CD1-CE1 3.96Å; L1129-Y1134 HydrophobicContact CD2-CE1 4.05Å; L1129-Y1134 HydrophobicContact CG-CE1 4.45Å; P1130-Y1134 WeakPolarHBondContact CD-OH 3.35Å; P1130-Y1134 WeakPolarHBondContact O-CE2 3.43Å; P1130-Y1134 PolarHBondContact O-OH 2.92Å; D1132-Y1134 HydrophobicContact CB-CE2 3.81Å; D1132-Y1134 WeakPolarHBondContact O-CD2 3.36Å; D1132-Y1134 WeakPolarHBondContact O-CE2 3.31Å; Y1134-Q1148 WeakPolarHBondContact O-CA 3.46Å; Y1134-A1149 PolarHBondContact N-O 3.14Å; Y1134-A1149 PolarHBondContact O-N 2.77Å; Y1134-C1151 HydrophobicContact CD2-CB 3.7Å; Y1134-C1151 HydrophobicContact CE2-CB 4.19Å; Y1134-F1153 HydrophobicContact CD2-CE2 4.17Å; Y1134-F1153 AromaticContact CD2-CZ 3.87Å; Y1134-F1153 HydrophobicContact CD2-CZ 3.87Å; Y1134-F1153 AromaticContact CE2-CE2 3.46Å; Y1134-F1153 HydrophobicContact CE2-CE2 3.46Å; Y1134-F1153 VanDerWaalsContact CE2-CE2 3.46Å; Y1134-F1153 AromaticContact CE2-CZ 3.6Å; Y1134-F1153 HydrophobicContact CE2-CZ 3.6Å; Y1134-F1153 AromaticContact CZ-CE2 3.87Å
1135W93.7Very high89.9Confident65 Ų6566.4 Ų66.425%0.24634%0.335CS..EExtended strand (participates in β ladder)trans-84.6131.1173-66.783.1000110.9G1110 R1112 P1115 A1116 V1146 V1147 Q1148G1110-W1135 WeakPolarHBondContact CA-O 3.38Å; G1110-W1135 PolarHBondContact O-N 2.93Å; R1112-W1135 HydrophobicContact CB-CB 4.48Å; R1112-W1135 HydrophobicContact CB-CD2 3.72Å; R1112-W1135 HydrophobicContact CB-CE3 4.25Å; R1112-W1135 HydrophobicContact CB-CG 3.8Å; R1112-W1135 HydrophobicContact CG-CD2 3.74Å; R1112-W1135 HydrophobicContact CG-CE3 3.73Å; R1112-W1135 HydrophobicContact CG-CG 4.27Å; R1112-W1135 HydrophobicContact CG-CH2 4.37Å; R1112-W1135 HydrophobicContact CG-CZ2 4.39Å; R1112-W1135 HydrophobicContact CG-CZ3 4.05Å; P1115-W1135 WeakPolarHBondContact CA-O 3.2Å; A1116-W1135 PolarHBondContact N-O 3.21Å; W1135-V1146 HydrophobicContact CE3-CB 4.07Å; W1135-V1146 HydrophobicContact CE3-CG2 3.83Å; W1135-V1146 HydrophobicContact CZ3-CG2 4.08Å; W1135-V1146 WeakPolarHBondContact CZ3-O 2.99Å; W1135-V1147 CarbonylContact C-O 3.58Å; W1135-V1147 WeakPolarHBondContact CA-O 3.33Å; W1135-Q1148 HydrophobicContact CD2-CB 4.46Å
1136I93.3Very high90Very high0 Ų062.1 Ų62.10%032%0.32CS..EExtended strand (participates in β ladder)trans-130.7156176.961.3169.4000111.4A1116 P1138 V1147 A1149 T1158A1116-I1136 HydrophobicContact CB-CG2 4.43Å; A1116-I1136 CarbonylContact O-C 3.58Å; A1116-I1136 WeakPolarHBondContact O-CA 3.39Å; A1116-I1136 WeakPolarHBondContact O-CB 3.43Å; I1136-P1138 HydrophobicContact CD1-CG 3.98Å; I1136-P1138 HydrophobicContact CG1-CG 4.35Å; I1136-V1147 HydrophobicContact CD1-CG2 4.41Å; I1136-V1147 HydrophobicContact CG1-CG2 3.77Å; I1136-V1147 PolarHBondContact N-O 3.27Å; I1136-V1147 PolarHBondContact O-N 3.17Å; I1136-A1149 HydrophobicContact CD1-CB 3.53Å; I1136-A1149 HydrophobicContact CG1-CB 3.94Å; I1136-T1158 HydrophobicContact CD1-CG2 3.41Å; I1136-T1158 VanDerWaalsContact CD1-CG2 3.41Å
1137D94.2Very high90.1Very high10 Ų1061.3 Ų61.35%0.05332%0.316CS..  trans-130.582.3172.1177.38.7000109P1115 A1116 L1117 N1139 G1140 N1141 V1146 Q1199P1115-D1137 HydrophobicContact CB-CB 4.12Å; P1115-D1137 HydrophobicContact CG-CB 3.94Å; A1116-D1137 PolarHBondContact O-N 3.1Å; L1117-D1137 WeakPolarHBondContact CA-O 3.24Å; L1117-D1137 WeakPolarHBondContact CD2-O 3.17Å; D1137-N1139 PolarHBondContact O-N 3.35Å; D1137-N1139 PolarHBondContact OD1-N 3.16Å; D1137-N1139 PolarHBondContact OD1-OD1 3.17Å; D1137-N1139 VanDerWaalsContact OD1-OD1 3.14Å; D1137-G1140 PolarHBondContact O-N 2.75Å; D1137-G1140 PolarHBondContact OD1-N 3.47Å; D1137-G1140 WeakPolarHBondContact OD2-CA 3.39Å; D1137-G1140 PolarHBondContact OD2-N 3.03Å; D1137-N1141 PolarHBondContact OD2-N 2.96Å; D1137-N1141 VanDerWaalsContact OD2-N 3.15Å; D1137-V1146 HydrophobicContact CB-CG1 4.06Å; D1137-Q1199 PolarHBondContact OD1-NE2 2.94Å
1138P93.7Very high90.3Very high0 Ų056.8 Ų56.80%030%0.298CS..SBendtrans-53.6-32.2176-28.433000114.9L1117 I1136 Q1199 Y1202 L1203 H1206L1117-P1138 WeakPolarHBondContact O-CA 3.04Å; I1136-P1138 HydrophobicContact CD1-CG 3.98Å; I1136-P1138 HydrophobicContact CG1-CG 4.35Å; P1138-Q1199 WeakPolarHBondContact CB-O 3.46Å; P1138-Y1202 WeakPolarHBondContact O-CB 3.28Å; P1138-L1203 HydrophobicContact CB-CB 3.99Å; P1138-L1203 HydrophobicContact CG-CB 3.99Å; P1138-L1203 HydrophobicContact CG-CD1 4.44Å; P1138-H1206 PolarHBondContact O-CD2 2.91Å; P1138-H1206 PolarHBondContact O-NE2 3.05Å
1139N90.5Very high90.6Very high18 Ų1849.2 Ų49.210%0.09626%0.257CS..SBendtrans-85.3-23-176.482.838.9000113.5D1137 N1141 D1145 Q1199 Y1202D1137-N1139 PolarHBondContact O-N 3.35Å; D1137-N1139 PolarHBondContact OD1-N 3.16Å; D1137-N1139 PolarHBondContact OD1-OD1 3.17Å; D1137-N1139 VanDerWaalsContact OD1-OD1 3.14Å; N1139-N1141 VanDerWaalsContact CG-ND2 3.32Å; N1139-N1141 PolarHBondContact O-ND2 3.01Å; N1139-N1141 VanDerWaalsContact OD1-CB 3.27Å; N1139-N1141 WeakPolarHBondContact OD1-CB 3.39Å; N1139-N1141 PolarHBondContact OD1-N 2.95Å; N1139-N1141 PolarHBondContact OD1-ND2 3.1Å; N1139-D1145 PolarHBondContact ND2-OD1 3.17Å; N1139-D1145 PolarHBondContact ND2-OD2 3.24Å; N1139-Q1199 VanDerWaalsContact CG-CD 3.47Å; N1139-Q1199 PolarHBondContact ND2-NE2 3.01Å; N1139-Q1199 PolarHBondContact ND2-OE1 3.45Å; N1139-Y1202 HydrophobicContact CB-CD1 4.12Å; N1139-Y1202 HydrophobicContact CB-CD2 3.62Å; N1139-Y1202 HydrophobicContact CB-CE1 4.43Å; N1139-Y1202 HydrophobicContact CB-CE2 3.98Å; N1139-Y1202 HydrophobicContact CB-CG 3.69Å
1140G86.6Confident90.8Very high21 Ų2150 Ų5022%0.21626%0.257CS..  trans69.331.4172.600000114.4D1137D1137-G1140 PolarHBondContact O-N 2.75Å; D1137-G1140 PolarHBondContact OD1-N 3.47Å; D1137-G1140 WeakPolarHBondContact OD2-CA 3.39Å; D1137-G1140 PolarHBondContact OD2-N 3.03Å
1141N79.1Confident90.8Very high90 Ų9045.9 Ų45.948%0.48123%0.231SC..SBendtrans-110.9-77.6-176.1-59.6-74.5000113.1D1137 N1139D1137-N1141 PolarHBondContact OD2-N 2.96Å; D1137-N1141 VanDerWaalsContact OD2-N 3.15Å; N1139-N1141 VanDerWaalsContact CG-ND2 3.32Å; N1139-N1141 PolarHBondContact O-ND2 3.01Å; N1139-N1141 VanDerWaalsContact OD1-CB 3.27Å; N1139-N1141 WeakPolarHBondContact OD1-CB 3.39Å; N1139-N1141 PolarHBondContact OD1-N 2.95Å; N1139-N1141 PolarHBondContact OD1-ND2 3.1Å
1142E80.1Confident90.8Very high85 Ų8545.8 Ų45.840%0.39723%0.228SC..  trans-113.2126.3-176.5-82.8-165-153.200111.9N1144 D1145E1142-N1144 HydrophobicContact CB-CB 4.33Å; E1142-N1144 PolarHBondContact O-N 3.29Å; E1142-N1144 PolarHBondContact OE2-ND2 3.26Å; E1142-D1145 PolarHBondContact O-N 3.28Å; E1142-D1145 VanDerWaalsContact O-N 3.14Å
1143I81.9Confident90.8Very high88 Ų8843.5 Ų43.545%0.45121%0.214SC..THydrogen-bonded Turntrans-61.52.9171.963.8167.9000114.6P1115 V1146P1115-I1143 HydrophobicContact CG-CG2 4.44Å; I1143-V1146 HydrophobicContact CB-CG1 4.42Å; I1143-V1146 WeakPolarHBondContact O-CG2 3.44Å
1144N80.4Confident90.7Very high111 Ų11150.7 Ų50.759%0.59425%0.246SC*.THydrogen-bonded Turntrans-85.3-37.9175.5-67.3-43.5000112.8E1142E1142-N1144 HydrophobicContact CB-CB 4.33Å; E1142-N1144 PolarHBondContact O-N 3.29Å; E1142-N1144 PolarHBondContact OE2-ND2 3.26Å
1145D88Confident90.6Very high69 Ų6952.1 Ų52.137%0.36926%0.257SS..SBendtrans-95.58.6-178.191.5-25.4000113.7N1139 E1142 V1147 Q1199N1139-D1145 PolarHBondContact ND2-OD1 3.17Å; N1139-D1145 PolarHBondContact ND2-OD2 3.24Å; E1142-D1145 PolarHBondContact O-N 3.28Å; E1142-D1145 VanDerWaalsContact O-N 3.14Å; D1145-V1147 WeakPolarHBondContact O-CG1 3.35Å; D1145-Q1199 PolarHBondContact OD1-NE2 3.14Å
1146V90.7Very high90.6Very high9 Ų951 Ų516%0.05526%0.26CS..  trans-44.5140.9166.2-70.30000112.8R1112 P1115 W1135 D1137 I1143R1112-V1146 HydrophobicContact CG-CG2 3.63Å; P1115-V1146 HydrophobicContact CB-CG1 3.98Å; P1115-V1146 HydrophobicContact CG-CG1 3.75Å; W1135-V1146 HydrophobicContact CE3-CB 4.07Å; W1135-V1146 HydrophobicContact CE3-CG2 3.83Å; W1135-V1146 HydrophobicContact CZ3-CG2 4.08Å; W1135-V1146 WeakPolarHBondContact CZ3-O 2.99Å; D1137-V1146 HydrophobicContact CB-CG1 4.06Å; I1143-V1146 HydrophobicContact CB-CG1 4.42Å; I1143-V1146 WeakPolarHBondContact O-CG2 3.44Å
1147V91.8Very high90.7Very high27 Ų2752.1 Ų52.116%0.16427%0.265CS..EExtended strand (participates in β ladder)trans-125156.4-176.5-64.90000110.9W1135 I1136 D1145 L1195W1135-V1147 CarbonylContact C-O 3.58Å; W1135-V1147 WeakPolarHBondContact CA-O 3.33Å; I1136-V1147 HydrophobicContact CD1-CG2 4.41Å; I1136-V1147 HydrophobicContact CG1-CG2 3.77Å; I1136-V1147 PolarHBondContact N-O 3.27Å; I1136-V1147 PolarHBondContact O-N 3.17Å; D1145-V1147 WeakPolarHBondContact O-CG1 3.35Å; V1147-L1195 HydrophobicContact CB-CD1 3.88Å; V1147-L1195 HydrophobicContact CG1-CD1 3.55Å; V1147-L1195 HydrophobicContact CG2-CD1 3.56Å
1148Q92.9Very high90.9Very high83 Ų8351.7 Ų51.739%0.38826%0.263SS..EExtended strand (participates in β ladder)trans-95.3133.9173.8-153.8176.51600109.9Y1133 Y1134 W1135Y1133-Q1148 PolarHBondContact O-NE2 3.47Å; Y1133-Q1148 VanDerWaalsContact O-NE2 3.12Å; Y1134-Q1148 WeakPolarHBondContact O-CA 3.46Å; W1135-Q1148 HydrophobicContact CD2-CB 4.46Å
1149A95Very high91Very high0 Ų051.8 Ų51.80%026%0.263CS..EExtended strand (participates in β ladder)trans-136.3147.3178.900000110.2Y1133 Y1134 I1136 C1151 T1158 I1160Y1133-A1149 CarbonylContact C-O 3.55Å; Y1133-A1149 WeakPolarHBondContact CA-O 3.45Å; Y1134-A1149 PolarHBondContact N-O 3.14Å; Y1134-A1149 PolarHBondContact O-N 2.77Å; I1136-A1149 HydrophobicContact CD1-CB 3.53Å; I1136-A1149 HydrophobicContact CG1-CB 3.94Å; A1149-C1151 PolarHBondContact O-N 2.75Å; A1149-T1158 HydrophobicContact CB-CG2 3.83Å; A1149-I1160 HydrophobicContact CB-CD1 3.73Å
1150Y96Very high91.2Very high63 Ų6351 Ų5125%0.24726%0.259CS..EExtended strand (participates in β ladder)trans-79.2119.6172.5-168.7-106000109.7D1131 Y1133 K1152 C1159D1131-Y1150 HydrophobicContact CB-CE1 4.42Å; D1131-Y1150 PolarHBondContact O-OH 3.01Å; Y1133-Y1150 HydrophobicContact CD1-CD2 4.31Å; Y1133-Y1150 AromaticContact CD2-CD2 3.63Å; Y1133-Y1150 HydrophobicContact CD2-CD2 3.63Å; Y1133-Y1150 HydrophobicContact CD2-CE2 4.26Å; Y1133-Y1150 VanDerWaalsContact CE1-CB 3.5Å; Y1133-Y1150 HydrophobicContact CE1-CD2 4.03Å; Y1133-Y1150 HydrophobicContact CE1-CG 4.22Å; Y1133-Y1150 AromaticContact CE2-CD2 3.29Å; Y1133-Y1150 HydrophobicContact CE2-CD2 3.29Å; Y1133-Y1150 AromaticContact CE2-CE2 3.89Å; Y1133-Y1150 HydrophobicContact CE2-CE2 3.89Å; Y1133-Y1150 HydrophobicContact CE2-CG 4.18Å; Y1133-Y1150 HydrophobicContact CG-CD2 4.09Å; Y1133-Y1150 AromaticContact CZ-CD2 3.44Å; Y1133-Y1150 VanDerWaalsContact CZ-CD2 3.44Å; Y1133-Y1150 AromaticContact CZ-CG 3.86Å; Y1150-K1152 HydrophobicContact CD1-CG 3.84Å; Y1150-K1152 HydrophobicContact CE1-CG 3.71Å; Y1150-C1159 PolarHBondContact N-O 2.84Å; Y1150-C1159 WeakPolarHBondContact O-CB 3.37Å; Y1150-C1159 PolarHBondContact O-N 2.94Å
1151C96.6Very high91.3Very high0 Ų053.8 Ų53.80%026%0.263CS..EExtended strand (participates in β ladder)trans-94.9125.8178-63.80000110.6C1119 D1131 D1132 Y1134 A1149 F1153C1119-C1151 VanDerWaalsContact CA-SG 3.53Å; C1119-C1151 HydrophobicContact CB-CB 3.42Å; C1119-C1151 VanDerWaalsContact CB-CB 3.42Å; C1119-C1151 WeakPolarHBondContact CB-SG 3.25Å; C1119-C1151 WeakPolarHBondContact SG-CA 3.33Å; C1119-C1151 WeakPolarHBondContact SG-CB 3.46Å; C1119-C1151 CovalentContact SG-SG 2.03Å; C1119-C1151 PolarHBondContact SG-SG 2.7Å; D1131-C1151 CarbonylContact C-O 3.58Å; D1131-C1151 WeakPolarHBondContact CA-O 3.14Å; D1131-C1151 WeakPolarHBondContact CB-O 3.47Å; D1132-C1151 PolarHBondContact N-O 3.47Å; D1132-C1151 PolarHBondContact O-N 3.09Å; Y1134-C1151 HydrophobicContact CD2-CB 3.7Å; Y1134-C1151 HydrophobicContact CE2-CB 4.19Å; A1149-C1151 PolarHBondContact O-N 2.75Å; C1151-F1153 HydrophobicContact CB-CD1 4.32Å; C1151-F1153 HydrophobicContact CB-CD2 4.5Å; C1151-F1153 HydrophobicContact CB-CE1 3.69Å; C1151-F1153 HydrophobicContact CB-CE2 3.9Å; C1151-F1153 HydrophobicContact CB-CZ 3.47Å; C1151-F1153 VanDerWaalsContact CB-CZ 3.47Å
1152K95.9Very high91.8Very high60 Ų6049.7 Ų49.726%0.26124%0.241SC..EExtended strand (participates in β ladder)trans-107.691.7169.2-63.7169.3-177.6166.10108.6D1131 Y1150 K1154 T1155 S1156 E1157 C1159 C1306D1131-K1152 WeakPolarHBondContact OD1-CA 3.4Å; Y1150-K1152 HydrophobicContact CD1-CG 3.84Å; Y1150-K1152 HydrophobicContact CE1-CG 3.71Å; K1152-K1154 PolarHBondContact O-N 3.25Å; K1152-T1155 VanDerWaalsContact CB-OG1 3.26Å; K1152-T1155 WeakPolarHBondContact CB-OG1 3.47Å; K1152-T1155 CarbonylContact O-C 3.56Å; K1152-T1155 PolarHBondContact O-N 2.91Å; K1152-T1155 VanDerWaalsContact O-N 3.11Å; K1152-T1155 PolarHBondContact O-OG1 2.82Å; K1152-S1156 WeakPolarHBondContact O-CA 3.48Å; K1152-S1156 PolarHBondContact O-N 2.95Å; K1152-E1157 HydrophobicContact CB-CB 4.27Å; K1152-E1157 HydrophobicContact CD-CB 4.17Å; K1152-E1157 WeakPolarHBondContact CD-OE2 3.38Å; K1152-E1157 PolarHBondContact N-O 2.76Å; K1152-E1157 IonicContact NZ-OE2 2.69Å; K1152-E1157 PolarHBondContact NZ-OE2 3.28Å; K1152-E1157 PolarHBondContact O-N 2.83Å; K1152-C1159 WeakPolarHBondContact CE-SG 3.08Å; K1152-C1159 PolarHBondContact NZ-SG 3.05Å; K1152-C1159 VanDerWaalsContact NZ-SG 3.38Å; K1152-C1306 PolarHBondContact NZ-SG 2.77Å
1153F94.9Very high92Very high37 Ų3751.2 Ų51.216%0.16225%0.246CC..THydrogen-bonded Turntrans-67.5-24.3-174.5-59.7-64.1000112.8C1119 L1122 G1123 L1129 P1130 D1131 Y1134 C1151 T1155C1119-F1153 WeakPolarHBondContact O-CE1 3.47Å; L1122-F1153 HydrophobicContact CB-CE1 4.01Å; L1122-F1153 HydrophobicContact CD2-CE1 4.04Å; L1122-F1153 HydrophobicContact CD2-CZ 3.8Å; L1122-F1153 HydrophobicContact CG-CE1 3.87Å; L1122-F1153 HydrophobicContact CG-CZ 3.96Å; G1123-F1153 VanDerWaalsContact CA-CD1 3.47Å; L1129-F1153 HydrophobicContact CB-CD2 3.92Å; L1129-F1153 HydrophobicContact CB-CE2 3.4Å; L1129-F1153 HydrophobicContact CB-CZ 3.83Å; L1129-F1153 HydrophobicContact CD1-CE2 4.28Å; L1129-F1153 HydrophobicContact CD1-CZ 3.84Å; L1129-F1153 HydrophobicContact CG-CE2 4.49Å; L1129-F1153 VanDerWaalsContact O-CD2 3.29Å; L1129-F1153 WeakPolarHBondContact O-CD2 3.48Å; P1130-F1153 VanDerWaalsContact O-CE2 3.3Å; P1130-F1153 WeakPolarHBondContact O-CE2 3.49Å; D1131-F1153 PolarHBondContact OD1-N 3.32Å; Y1134-F1153 HydrophobicContact CD2-CE2 4.17Å; Y1134-F1153 AromaticContact CD2-CZ 3.87Å; Y1134-F1153 HydrophobicContact CD2-CZ 3.87Å; Y1134-F1153 AromaticContact CE2-CE2 3.46Å; Y1134-F1153 HydrophobicContact CE2-CE2 3.46Å; Y1134-F1153 VanDerWaalsContact CE2-CE2 3.46Å; Y1134-F1153 AromaticContact CE2-CZ 3.6Å; Y1134-F1153 HydrophobicContact CE2-CZ 3.6Å; Y1134-F1153 AromaticContact CZ-CE2 3.87Å; C1151-F1153 HydrophobicContact CB-CD1 4.32Å; C1151-F1153 HydrophobicContact CB-CD2 4.5Å; C1151-F1153 HydrophobicContact CB-CE1 3.69Å; C1151-F1153 HydrophobicContact CB-CE2 3.9Å; C1151-F1153 HydrophobicContact CB-CZ 3.47Å; C1151-F1153 VanDerWaalsContact CB-CZ 3.47Å; F1153-T1155 VanDerWaalsContact C-N 3.34Å; F1153-T1155 PolarHBondContact O-N 3.17Å
1154K93Very high91.7Very high200 Ų20052.7 Ų52.787%0.8725%0.252SS*.THydrogen-bonded Turntrans-65.5-30.4171.4-87.3-178.4175.9172.30114.5K1152K1152-K1154 PolarHBondContact O-N 3.25Å
1155T93.4Very high91.2Very high58 Ų5851.9 Ų51.936%0.35624%0.243SC..THydrogen-bonded Turntrans-108.2-6.117852.20000112.7K1152 F1153 E1157 Q1308K1152-T1155 VanDerWaalsContact CB-OG1 3.26Å; K1152-T1155 WeakPolarHBondContact CB-OG1 3.47Å; K1152-T1155 CarbonylContact O-C 3.56Å; K1152-T1155 PolarHBondContact O-N 2.91Å; K1152-T1155 VanDerWaalsContact O-N 3.11Å; K1152-T1155 PolarHBondContact O-OG1 2.82Å; F1153-T1155 VanDerWaalsContact C-N 3.34Å; F1153-T1155 PolarHBondContact O-N 3.17Å; T1155-E1157 WeakPolarHBondContact CB-OE2 3.28Å; T1155-E1157 PolarHBondContact O-N 3.19Å; T1155-E1157 WeakPolarHBondContact OG1-CB 3.46Å; T1155-E1157 WeakPolarHBondContact OG1-CG 3.42Å; T1155-E1157 PolarHBondContact OG1-OE2 3.31Å; T1155-Q1308 PolarHBondContact O-NE2 3.44Å
1156S93.8Very high90.5Very high42 Ų4252.1 Ų52.129%0.29425%0.247SC..THydrogen-bonded Turntrans55.221.1-166.4-58.60000114K1152K1152-S1156 WeakPolarHBondContact O-CA 3.48Å; K1152-S1156 PolarHBondContact O-N 2.95Å
1157E96.3Very high89.7Confident23 Ų2352.2 Ų52.211%0.10725%0.247CC..EExtended strand (participates in β ladder)trans-77.9138.5179.4-73.5172.2130.800111.4K1152 T1155 T1211 C1306 F1307 Q1308K1152-E1157 HydrophobicContact CB-CB 4.27Å; K1152-E1157 HydrophobicContact CD-CB 4.17Å; K1152-E1157 WeakPolarHBondContact CD-OE2 3.38Å; K1152-E1157 PolarHBondContact N-O 2.76Å; K1152-E1157 IonicContact NZ-OE2 2.69Å; K1152-E1157 PolarHBondContact NZ-OE2 3.28Å; K1152-E1157 PolarHBondContact O-N 2.83Å; T1155-E1157 WeakPolarHBondContact CB-OE2 3.28Å; T1155-E1157 PolarHBondContact O-N 3.19Å; T1155-E1157 WeakPolarHBondContact OG1-CB 3.46Å; T1155-E1157 WeakPolarHBondContact OG1-CG 3.42Å; T1155-E1157 PolarHBondContact OG1-OE2 3.31Å; E1157-T1211 PolarHBondContact OE1-OG1 2.92Å; E1157-C1306 HydrophobicContact CB-CB 4.19Å; E1157-C1306 HydrophobicContact CG-CB 4.28Å; E1157-F1307 CarbonylContact C-O 3.47Å; E1157-F1307 WeakPolarHBondContact CA-O 3.41Å; E1157-Q1308 HydrophobicContact CG-CB 4.19Å; E1157-Q1308 HydrophobicContact CG-CG 4.48Å
1158T97.5Very high88.6Confident2 Ų254.4 Ų54.41%0.01226%0.258CS..EExtended strand (participates in β ladder)trans-102.2111.8167.5-55.10000108.7C1119 I1136 A1149 L1203 C1306 F1307C1119-T1158 WeakPolarHBondContact CB-OG1 3.43Å; C1119-T1158 PolarHBondContact N-OG1 3.15Å; C1119-T1158 VanDerWaalsContact N-OG1 3.13Å; I1136-T1158 HydrophobicContact CD1-CG2 3.41Å; I1136-T1158 VanDerWaalsContact CD1-CG2 3.41Å; A1149-T1158 HydrophobicContact CB-CG2 3.83Å; T1158-L1203 HydrophobicContact CG2-CD1 3.76Å; T1158-L1203 HydrophobicContact CG2-CD2 3.86Å; T1158-L1203 HydrophobicContact CG2-CG 4.48Å; T1158-C1306 CarbonylContact O-C 3.54Å; T1158-C1306 WeakPolarHBondContact O-CA 3.33Å; T1158-F1307 PolarHBondContact N-O 2.97Å; T1158-F1307 PolarHBondContact O-N 3.36Å
1159C96.5Very high87.2Confident1 Ų150.5 Ų50.51%0.00724%0.24CC..EExtended strand (participates in β ladder)trans-110.4133.6-173.3-58.50000113.1Y1150 K1152 E1304 V1305 C1306Y1150-C1159 PolarHBondContact N-O 2.84Å; Y1150-C1159 WeakPolarHBondContact O-CB 3.37Å; Y1150-C1159 PolarHBondContact O-N 2.94Å; K1152-C1159 WeakPolarHBondContact CE-SG 3.08Å; K1152-C1159 PolarHBondContact NZ-SG 3.05Å; K1152-C1159 VanDerWaalsContact NZ-SG 3.38Å; C1159-E1304 HydrophobicContact CB-CB 4.43Å; C1159-V1305 CarbonylContact C-O 3.55Å; C1159-V1305 VanDerWaalsContact CA-O 3.32Å; C1159-V1305 WeakPolarHBondContact CA-O 3.3Å; C1159-C1306 HydrophobicContact CB-CB 4.13Å; C1159-C1306 WeakPolarHBondContact CB-SG 3.44Å; C1159-C1306 WeakPolarHBondContact SG-CB 2.89Å; C1159-C1306 CovalentContact SG-SG 2.04Å; C1159-C1306 PolarHBondContact SG-SG 3.47Å
1160I94.4Very high85.3Confident2 Ų256.2 Ų56.21%0.0127%0.27CS..EExtended strand (participates in β ladder)trans-114.4134.9-174.2-54.3-55.1000110.3A1149 Y1193 L1195 L1203 E1304 V1305 F1307A1149-I1160 HydrophobicContact CB-CD1 3.73Å; I1160-Y1193 HydrophobicContact CG2-CD1 4.37Å; I1160-L1195 HydrophobicContact CB-CB 4.43Å; I1160-L1195 HydrophobicContact CD1-CB 4.09Å; I1160-L1195 HydrophobicContact CD1-CD2 3.71Å; I1160-L1195 HydrophobicContact CG1-CB 4.11Å; I1160-L1195 HydrophobicContact CG1-CD2 3.92Å; I1160-L1195 HydrophobicContact CG2-CB 3.47Å; I1160-L1195 VanDerWaalsContact CG2-CB 3.47Å; I1160-L1203 HydrophobicContact CD1-CD2 3.95Å; I1160-L1203 HydrophobicContact CG1-CD2 3.91Å; I1160-E1304 WeakPolarHBondContact O-CA 3.14Å; I1160-E1304 WeakPolarHBondContact O-CB 2.95Å; I1160-V1305 HydrophobicContact CB-CG1 3.81Å; I1160-V1305 HydrophobicContact CG2-CG1 4.45Å; I1160-V1305 PolarHBondContact N-O 2.75Å; I1160-V1305 PolarHBondContact O-N 3.11Å; I1160-F1307 HydrophobicContact CG1-CD2 4.44Å; I1160-F1307 HydrophobicContact CG1-CE2 4.25Å
1161R89.2Confident83Confident79 Ų7957.8 Ų57.830%0.29828%0.276SS..  trans-78.4151.8177.3-84.7176.1173.6178.44.1113.9Y1133 Y1193 E1194 E1304Y1133-R1161 HydrophobicContact CE1-CG 4.41Å; Y1133-R1161 VanDerWaalsContact CZ-NE 3.3Å; Y1133-R1161 VanDerWaalsContact OH-CZ 3.27Å; Y1133-R1161 PolarHBondContact OH-NE 3.06Å; Y1133-R1161 PolarHBondContact OH-NH2 3.01Å; R1161-Y1193 CarbonylContact O-C 3.58Å; R1161-Y1193 WeakPolarHBondContact O-CA 3.37Å; R1161-E1194 HydrophobicContact CB-CG 4Å; R1161-E1194 WeakPolarHBondContact CB-OE1 3.4Å; R1161-E1194 WeakPolarHBondContact CB-OE2 3.27Å; R1161-E1194 WeakPolarHBondContact CD-OE1 3.26Å; R1161-E1194 PolarHBondContact O-N 3.11Å; R1161-E1304 VanDerWaalsContact CG-CD 3.47Å; R1161-E1304 HydrophobicContact CG-CG 4.04Å; R1161-E1304 WeakPolarHBondContact CG-OE1 2.92Å; R1161-E1304 IonicContact NE-OE1 3.22Å; R1161-E1304 PolarHBondContact NE-OE1 2.8Å; R1161-E1304 VanDerWaalsContact NE-OE1 3.16Å
1162L88.9Confident80.4Confident5 Ų562.9 Ų62.93%0.02631%0.309CS..BIsolated β-bridgetrans-83.3142.8158.2-73.688.5000110.6Q1164 L1191 I1192 Y1193 I1302L1162-Q1164 VanDerWaalsContact CB-O 3.31Å; L1162-Q1164 WeakPolarHBondContact CB-O 3.37Å; L1162-Q1164 PolarHBondContact O-N 3.04Å; L1162-L1191 HydrophobicContact CD2-CB 3.86Å; L1162-L1191 HydrophobicContact CD2-CD1 4.17Å; L1162-L1191 HydrophobicContact CD2-CD2 3.78Å; L1162-L1191 HydrophobicContact CD2-CG 4.15Å; L1162-I1192 WeakPolarHBondContact CA-O 3.49Å; L1162-Y1193 HydrophobicContact CD1-CD1 4.03Å; L1162-Y1193 HydrophobicContact CD1-CE1 3.34Å; L1162-Y1193 HydrophobicContact CD2-CE1 4.29Å; L1162-Y1193 HydrophobicContact CD2-CE2 4.4Å; L1162-Y1193 HydrophobicContact CG-CD1 3.87Å; L1162-Y1193 HydrophobicContact CG-CE1 3.48Å; L1162-Y1193 VanDerWaalsContact CG-CE1 3.48Å; L1162-Y1193 HydrophobicContact CG-CE2 4.25Å; L1162-Y1193 HydrophobicContact CG-CG 4.42Å; L1162-I1302 HydrophobicContact CD1-CB 4.09Å; L1162-I1302 HydrophobicContact CD1-CG2 3.57Å; L1162-I1302 HydrophobicContact CD2-CB 3.85Å; L1162-I1302 HydrophobicContact CD2-CG1 4.3Å; L1162-I1302 HydrophobicContact CD2-CG2 3.71Å; L1162-I1302 HydrophobicContact CG-CG2 4.31Å
1163K85.4Confident77.6Confident116 Ų11666 Ų6650%0.50433%0.329SS..SBendtrans-67.3-23.6169.7-63.2-177.9179.4118.30112I1192 Y1193 E1194 E1196K1163-I1192 HydrophobicContact CD-CG2 3.85Å; K1163-I1192 PolarHBondContact N-O 3.45Å; K1163-Y1193 WeakPolarHBondContact CE-O 3.4Å; K1163-Y1193 PolarHBondContact NZ-O 3.26Å; K1163-E1194 HydrophobicContact CG-CG 4.14Å; K1163-E1196 IonicContact NZ-OE2 3.16Å; K1163-E1196 PolarHBondContact NZ-OE2 3.21Å
1164Q75.3Confident74.9Confident120 Ų12072.1 Ų72.156%0.56135%0.351SS*.  trans-125.9112.5168.9-71.2-179-63.900110L1162L1162-Q1164 VanDerWaalsContact CB-O 3.31Å; L1162-Q1164 WeakPolarHBondContact CB-O 3.37Å; L1162-Q1164 PolarHBondContact O-N 3.04Å
1165K69Low72.3Confident94 Ų9470.4 Ų70.441%0.40935%0.346SS..  trans-80.6-16.3-179.2-70.5-164.1168.8-163.40114.6Q1301 I1302 E1304K1165-Q1301 WeakPolarHBondContact O-CA 3.5Å; K1165-I1302 PolarHBondContact O-N 3.21Å; K1165-E1304 IonicContact NZ-OE1 2.75Å; K1165-E1304 PolarHBondContact NZ-OE1 3.48Å
1166T74.2Confident69.4Low74 Ų7475.3 Ų75.345%0.45437%0.37SS..EExtended strand (participates in β ladder)trans-139.2130.7-167.9-31.80000112L1299 V1300 Q1301T1166-L1299 HydrophobicContact CG2-CD1 3.51Å; T1166-L1299 HydrophobicContact CG2-CD2 4.46Å; T1166-L1299 HydrophobicContact CG2-CG 3.86Å; T1166-V1300 WeakPolarHBondContact CA-O 3.41Å; T1166-Q1301 HydrophobicContact CG2-CG 4.18Å
1167L73.1Confident66.6Low11 Ų1176.6 Ų76.66%0.05838%0.379CS..EExtended strand (participates in β ladder)trans-112.4147.8170-55.7175.6000109.1Y1189 L1191 I1288 L1299 V1300 I1302L1167-Y1189 HydrophobicContact CD1-CD1 4.31Å; L1167-Y1189 HydrophobicContact CD1-CD2 4.15Å; L1167-Y1189 HydrophobicContact CD1-CG 3.78Å; L1167-Y1189 HydrophobicContact CD2-CD1 3.67Å; L1167-Y1189 HydrophobicContact CD2-CE1 4.29Å; L1167-Y1189 HydrophobicContact CD2-CG 4Å; L1167-Y1189 HydrophobicContact CG-CD1 4.4Å; L1167-Y1189 HydrophobicContact CG-CG 4.35Å; L1167-L1191 HydrophobicContact CD1-CD2 4.05Å; L1167-I1288 HydrophobicContact CD1-CB 4.29Å; L1167-I1288 HydrophobicContact CD1-CD1 4.32Å; L1167-L1299 CarbonylContact O-C 3.59Å; L1167-L1299 WeakPolarHBondContact O-CA 3.1Å; L1167-V1300 HydrophobicContact CB-CB 4.4Å; L1167-V1300 PolarHBondContact N-O 3.33Å; L1167-V1300 PolarHBondContact O-N 3.14Å; L1167-I1302 HydrophobicContact CD1-CD1 3.97Å; L1167-I1302 HydrophobicContact CG-CD1 3.81Å
1168N69Low63.8Low72 Ų7282 Ų8239%0.38541%0.414SS..EExtended strand (participates in β ladder)trans-141.2129.9-178.1-169.86.2000110.4N1170 Y1189 L1299N1168-N1170 PolarHBondContact O-N 3.32Å; N1168-Y1189 PolarHBondContact O-OH 3.47Å; N1168-Y1189 VanDerWaalsContact O-OH 3.09Å; N1168-L1299 HydrophobicContact CB-CD1 3.92Å
1169S64.7Low60.8Low2 Ų291 Ų911%0.01446%0.456CS..  trans-77.549-178.268.40000113.2Y1171 S1296 N1298S1169-Y1171 PolarHBondContact O-N 3.14Å; S1169-S1296 PolarHBondContact OG-O 3.26Å; S1169-N1298 PolarHBondContact N-O 3.34Å; S1169-N1298 VanDerWaalsContact N-O 3.14Å; S1169-N1298 PolarHBondContact OG-N 3.36Å
1170N53.8Low58.2Low120 Ų12095.8 Ų95.864%0.64248%0.478SS*.  trans-79.667-169.9-145.78.9000111.9N1168N1168-N1170 PolarHBondContact O-N 3.32Å
1171Y48.8Very low55.6Low95 Ų95104.8 Ų104.837%0.37352%0.52SS..  trans-67.3119.7170.2-119.6-96.4000108.6S1169 N1173 P1293S1169-Y1171 PolarHBondContact O-N 3.14Å; Y1171-N1173 PolarHBondContact O-N 3.22Å; Y1171-P1293 HydrophobicContact CD2-CB 4.27Å; Y1171-P1293 HydrophobicContact CD2-CG 4.08Å; Y1171-P1293 HydrophobicContact CE2-CG 4.06Å
1172P40.5Very low53.5Low107 Ų107108.6 Ų108.670%0.69555%0.547SS*.  trans-65.2131.4178.726.3-33.2000109.8R1174P1172-R1174 VanDerWaalsContact C-N 3.34Å; P1172-R1174 PolarHBondContact O-N 3.38Å
1173N38.9Very low51.3Low126 Ų126112.8 Ų112.867%0.67457%0.569SS**  trans-59.794.6174-80.50.4000109.7Y1171 E1175Y1171-N1173 PolarHBondContact O-N 3.22Å; N1173-E1175 PolarHBondContact O-N 3.15Å; N1173-E1175 VanDerWaalsContact O-N 3.09Å
1174R37.1Very low49.9Very low166 Ų166111.1 Ų111.163%0.62657%0.565SS**  trans-85.674.1171.7-131-175.7-173.9-136.7-1.2109.1P1172 N1176P1172-R1174 VanDerWaalsContact C-N 3.34Å; P1172-R1174 PolarHBondContact O-N 3.38Å; R1174-N1176 PolarHBondContact O-N 3.28Å
1175E38.6Very low49Very low163 Ų163106.7 Ų106.776%0.76255%0.552SS**SBendtrans-49.1135.2154-66174.2-168.600107.7N1173N1173-E1175 PolarHBondContact O-N 3.15Å; N1173-E1175 VanDerWaalsContact O-N 3.09Å
1176N32.9Very low49.2Very low161 Ų161105.1 Ų105.186%0.86155%0.553SS**  trans65.262.5-168.1-54-35.6000115.9R1174R1174-N1176 PolarHBondContact O-N 3.28Å
1177S33.8Very low49.2Very low70 Ų70104.5 Ų104.549%0.4954%0.544SS..  trans-133.189140.3640000111.6
1178T37.6Very low49.7Very low135 Ų135109.6 Ų109.683%0.82857%0.566SS**  trans-55.4146.6151.146.80000109
1179E36.1Very low50.5Low191 Ų191108.3 Ų108.389%0.89356%0.556SS**SBendtrans71.856.5-175.4-51.2-169.1163.700117.1
1180E40.3Very low51.6Low103 Ų103114.1 Ų114.148%0.48158%0.583SS.*  trans-157.339.5143.3-131.7-158.5-173.100115.9N1182 N1183 K1294E1180-N1182 PolarHBondContact O-N 3.03Å; E1180-N1182 VanDerWaalsContact O-N 3.13Å; E1180-N1183 HydrophobicContact CG-CB 3.98Å; E1180-N1183 PolarHBondContact O-N 3.28Å; E1180-N1183 WeakPolarHBondContact OE1-CB 3.18Å; E1180-N1183 PolarHBondContact OE1-ND2 3.24Å; E1180-K1294 IonicContact OE2-NZ 2.68Å; E1180-K1294 PolarHBondContact OE2-NZ 3.2Å
1181E40.8Very low53.3Low191 Ų191108.5 Ų108.589%0.89355%0.553SS**THydrogen-bonded Turntrans-64.5-17.1-172.2-115.2178.3142.100115.8
1182N43.9Very low55.1Low159 Ų159107.2 Ų107.285%0.8555%0.552SS**THydrogen-bonded Turntrans-106.9-3.3-174.7-74-66.5000115E1180 L1184E1180-N1182 PolarHBondContact O-N 3.03Å; E1180-N1182 VanDerWaalsContact O-N 3.13Å; N1182-L1184 PolarHBondContact O-N 3.27Å
1183N44.4Very low57.5Low93 Ų93102.1 Ų102.150%0.49752%0.519SS..  trans-95.385.7-179-123.4-8.8000110.9E1180 G1185 K1294E1180-N1183 HydrophobicContact CG-CB 3.98Å; E1180-N1183 PolarHBondContact O-N 3.28Å; E1180-N1183 WeakPolarHBondContact OE1-CB 3.18Å; E1180-N1183 PolarHBondContact OE1-ND2 3.24Å; N1183-G1185 PolarHBondContact O-N 3.01Å; N1183-K1294 WeakPolarHBondContact O-CE 3.17Å; N1183-K1294 PolarHBondContact O-NZ 3.42Å
1184L55.4Low59.8Low81 Ų81100.3 Ų100.342%0.42451%0.506SS..  trans-70.472.1162-94.855.7000108.6N1182 N1292 I1295N1182-L1184 PolarHBondContact O-N 3.27Å; L1184-N1292 WeakPolarHBondContact CB-OD1 3.45Å; L1184-N1292 HydrophobicContact CD2-CB 4.5Å; L1184-N1292 WeakPolarHBondContact CD2-OD1 3.4Å; L1184-N1292 HydrophobicContact CG-CB 4.44Å; L1184-I1295 HydrophobicContact CD1-CD1 4.01Å; L1184-I1295 HydrophobicContact CD2-CD1 3.95Å; L1184-I1295 HydrophobicContact CG-CD1 3.97Å
1185G57.2Low62.2Low27 Ų2792.5 Ų92.528%0.27848%0.477SS..  trans-64.1151.117700000111.6N1183 P1293N1183-G1185 PolarHBondContact O-N 3.01Å; G1185-P1293 WeakPolarHBondContact O-CD 3.26Å
1186S71.6Confident64.4Low61 Ų6188 Ų8843%0.42746%0.456SS..  trans-99.9163.7171.259.90000111.6E1289 L1290S1186-E1289 WeakPolarHBondContact CB-OE1 3.14Å; S1186-E1289 PolarHBondContact OG-OE1 3.37Å; S1186-L1290 CarbonylContact C-O 3.6Å; S1186-L1290 VanDerWaalsContact CA-O 3.25Å; S1186-L1290 WeakPolarHBondContact CA-O 3.21Å; S1186-L1290 WeakPolarHBondContact CB-O 3.1Å
1187Q75.6Confident67Low61 Ų6182.7 Ų82.729%0.28544%0.439SS..EExtended strand (participates in β ladder)trans-133.8108.1179-166.1168.6-0.800110.6Y1189 L1290Q1187-Y1189 HydrophobicContact CB-CE2 4.08Å; Q1187-Y1189 VanDerWaalsContact CD-OH 3.27Å; Q1187-Y1189 HydrophobicContact CG-CD2 4.46Å; Q1187-Y1189 HydrophobicContact CG-CE2 3.67Å; Q1187-Y1189 PolarHBondContact NE2-OH 3.25Å; Q1187-Y1189 WeakPolarHBondContact O-CD2 3.44Å; Q1187-L1290 PolarHBondContact N-O 3.46Å; Q1187-L1290 PolarHBondContact O-N 3.33Å
1188F83.5Confident69.6Low118 Ų11885 Ų8552%0.51845%0.446SS..EExtended strand (participates in β ladder)trans-85.2138.9178.7-173.6-85.8000111.6E1190 F1240 I1288 E1289F1188-E1190 HydrophobicContact CE1-CB 4.34Å; F1188-F1240 HydrophobicContact CD2-CD2 4.48Å; F1188-F1240 HydrophobicContact CD2-CE2 4.33Å; F1188-F1240 AromaticContact CE2-CD2 3.83Å; F1188-F1240 HydrophobicContact CE2-CD2 3.83Å; F1188-F1240 HydrophobicContact CE2-CE2 4.08Å; F1188-F1240 HydrophobicContact CE2-CG 4.35Å; F1188-I1288 CarbonylContact C-O 3.59Å; F1188-I1288 WeakPolarHBondContact CA-O 3.34Å; F1188-E1289 HydrophobicContact CD2-CB 4.2Å
1189Y85.7Confident72.2Confident45 Ų4578.9 Ų78.918%0.17641%0.408CS..EExtended strand (participates in β ladder)trans-128.8128.7174.8-62.5-98.1000109.7L1167 N1168 Q1187 G1287 I1288 L1290L1167-Y1189 HydrophobicContact CD1-CD1 4.31Å; L1167-Y1189 HydrophobicContact CD1-CD2 4.15Å; L1167-Y1189 HydrophobicContact CD1-CG 3.78Å; L1167-Y1189 HydrophobicContact CD2-CD1 3.67Å; L1167-Y1189 HydrophobicContact CD2-CE1 4.29Å; L1167-Y1189 HydrophobicContact CD2-CG 4Å; L1167-Y1189 HydrophobicContact CG-CD1 4.4Å; L1167-Y1189 HydrophobicContact CG-CG 4.35Å; N1168-Y1189 PolarHBondContact O-OH 3.47Å; N1168-Y1189 VanDerWaalsContact O-OH 3.09Å; Q1187-Y1189 HydrophobicContact CB-CE2 4.08Å; Q1187-Y1189 VanDerWaalsContact CD-OH 3.27Å; Q1187-Y1189 HydrophobicContact CG-CD2 4.46Å; Q1187-Y1189 HydrophobicContact CG-CE2 3.67Å; Q1187-Y1189 PolarHBondContact NE2-OH 3.25Å; Q1187-Y1189 WeakPolarHBondContact O-CD2 3.44Å; Y1189-G1287 WeakPolarHBondContact O-CA 3.5Å; Y1189-I1288 PolarHBondContact N-O 3.45Å; Y1189-I1288 PolarHBondContact O-N 2.82Å; Y1189-L1290 HydrophobicContact CD2-CD1 4.36Å; Y1189-L1290 HydrophobicContact CD2-CG 4.18Å; Y1189-L1290 HydrophobicContact CE2-CD1 3.57Å; Y1189-L1290 HydrophobicContact CE2-CG 3.78Å
1190E87.8Confident74.9Confident123 Ų12370.1 Ų70.158%0.57537%0.368SS*.EExtended strand (participates in β ladder)trans-83.8136.4171.1-174.4171.7-165.900110.6F1188 R1286F1188-E1190 HydrophobicContact CE1-CB 4.34Å; E1190-R1286 CarbonylContact C-O 3.11Å; E1190-R1286 WeakPolarHBondContact CA-O 3.22Å
1191L88.8Confident77.3Confident3 Ų369.9 Ų69.92%0.01637%0.366CS..  trans-98.9120.5-179.5-61.6-177.5000110.5L1162 L1167 Y1193 I1285 R1286 I1288 I1302L1162-L1191 HydrophobicContact CD2-CB 3.86Å; L1162-L1191 HydrophobicContact CD2-CD1 4.17Å; L1162-L1191 HydrophobicContact CD2-CD2 3.78Å; L1162-L1191 HydrophobicContact CD2-CG 4.15Å; L1167-L1191 HydrophobicContact CD1-CD2 4.05Å; L1191-Y1193 HydrophobicContact CB-CE2 3.78Å; L1191-I1285 HydrophobicContact CD1-CB 4.26Å; L1191-I1285 HydrophobicContact CD1-CG2 3.99Å; L1191-I1285 WeakPolarHBondContact CD1-O 3.4Å; L1191-R1286 PolarHBondContact N-O 3.16Å; L1191-R1286 WeakPolarHBondContact O-CD 3.42Å; L1191-R1286 PolarHBondContact O-NH1 3.43Å; L1191-I1288 HydrophobicContact CD1-CD1 3.97Å; L1191-I1288 HydrophobicContact CD1-CG1 3.91Å; L1191-I1288 HydrophobicContact CD2-CD1 4.38Å; L1191-I1288 HydrophobicContact CD2-CG1 4.5Å; L1191-I1288 HydrophobicContact CG-CG1 4.37Å; L1191-I1302 HydrophobicContact CD1-CG1 4.23Å; L1191-I1302 HydrophobicContact CD1-CG2 4.16Å; L1191-I1302 HydrophobicContact CD2-CD1 3.93Å; L1191-I1302 HydrophobicContact CD2-CG1 3.98Å
1192I87.7Confident79.9Confident67 Ų6765.8 Ų65.834%0.34434%0.343SS..  trans-109.7131.7-178.2-48.7179.1000109.9L1162 K1163 E1196L1162-I1192 WeakPolarHBondContact CA-O 3.49Å; K1163-I1192 HydrophobicContact CD-CG2 3.85Å; K1163-I1192 PolarHBondContact N-O 3.45Å; I1192-E1196 WeakPolarHBondContact CG2-OE2 3.38Å
1193Y90.2Very high82.3Confident1 Ų158.2 Ų58.20%0.00430%0.303CS..BIsolated β-bridgetrans-108160.3-172.9-68-99.3000111.7I1160 R1161 L1162 K1163 L1191 L1195 Q1212 P1284 I1285 V1305I1160-Y1193 HydrophobicContact CG2-CD1 4.37Å; R1161-Y1193 CarbonylContact O-C 3.58Å; R1161-Y1193 WeakPolarHBondContact O-CA 3.37Å; L1162-Y1193 HydrophobicContact CD1-CD1 4.03Å; L1162-Y1193 HydrophobicContact CD1-CE1 3.34Å; L1162-Y1193 HydrophobicContact CD2-CE1 4.29Å; L1162-Y1193 HydrophobicContact CD2-CE2 4.4Å; L1162-Y1193 HydrophobicContact CG-CD1 3.87Å; L1162-Y1193 HydrophobicContact CG-CE1 3.48Å; L1162-Y1193 VanDerWaalsContact CG-CE1 3.48Å; L1162-Y1193 HydrophobicContact CG-CE2 4.25Å; L1162-Y1193 HydrophobicContact CG-CG 4.42Å; K1163-Y1193 WeakPolarHBondContact CE-O 3.4Å; K1163-Y1193 PolarHBondContact NZ-O 3.26Å; L1191-Y1193 HydrophobicContact CB-CE2 3.78Å; Y1193-L1195 VanDerWaalsContact C-N 3.29Å; Y1193-Q1212 PolarHBondContact OH-NE2 3.24Å; Y1193-P1284 HydrophobicContact CD1-CB 4.26Å; Y1193-P1284 HydrophobicContact CD2-CB 3.93Å; Y1193-P1284 HydrophobicContact CD2-CG 3.87Å; Y1193-P1284 HydrophobicContact CE1-CB 3.78Å; Y1193-P1284 HydrophobicContact CE2-CB 3.45Å; Y1193-P1284 VanDerWaalsContact CE2-CB 3.45Å; Y1193-P1284 HydrophobicContact CE2-CG 3.79Å; Y1193-P1284 HydrophobicContact CG-CB 4.33Å; Y1193-P1284 HydrophobicContact CG-CG 4.39Å; Y1193-I1285 VanDerWaalsContact CE2-O 3.28Å; Y1193-I1285 WeakPolarHBondContact CE2-O 3.44Å; Y1193-I1285 PolarHBondContact OH-O 2.89Å; Y1193-V1305 HydrophobicContact CD1-CG1 3.71Å; Y1193-V1305 HydrophobicContact CE1-CB 4.1Å; Y1193-V1305 HydrophobicContact CE1-CG1 3.58Å
1194E87.1Confident84.7Confident87 Ų8754.4 Ų54.441%0.40728%0.282SS..SBendtrans-67.8-32.7171.7-71.4176.3-168.300111.2R1161 K1163R1161-E1194 HydrophobicContact CB-CG 4Å; R1161-E1194 WeakPolarHBondContact CB-OE1 3.4Å; R1161-E1194 WeakPolarHBondContact CB-OE2 3.27Å; R1161-E1194 WeakPolarHBondContact CD-OE1 3.26Å; R1161-E1194 PolarHBondContact O-N 3.11Å; K1163-E1194 HydrophobicContact CG-CG 4.14Å
1195L87.7Confident86.5Confident3 Ų355.7 Ų55.72%0.01628%0.282CS..SBendtrans-101123.4173.4-165.462000112.1V1147 I1160 Y1193 Q1199 L1200 L1203V1147-L1195 HydrophobicContact CB-CD1 3.88Å; V1147-L1195 HydrophobicContact CG1-CD1 3.55Å; V1147-L1195 HydrophobicContact CG2-CD1 3.56Å; I1160-L1195 HydrophobicContact CB-CB 4.43Å; I1160-L1195 HydrophobicContact CD1-CB 4.09Å; I1160-L1195 HydrophobicContact CD1-CD2 3.71Å; I1160-L1195 HydrophobicContact CG1-CB 4.11Å; I1160-L1195 HydrophobicContact CG1-CD2 3.92Å; I1160-L1195 HydrophobicContact CG2-CB 3.47Å; I1160-L1195 VanDerWaalsContact CG2-CB 3.47Å; Y1193-L1195 VanDerWaalsContact C-N 3.29Å; L1195-Q1199 HydrophobicContact CD1-CB 3.44Å; L1195-Q1199 VanDerWaalsContact CD1-CB 3.44Å; L1195-Q1199 HydrophobicContact CD1-CG 4.49Å; L1195-Q1199 HydrophobicContact CG-CB 4.32Å; L1195-L1200 HydrophobicContact CD2-CB 4.31Å; L1195-L1200 HydrophobicContact CD2-CD1 4.13Å; L1195-L1200 HydrophobicContact CG-CB 4.03Å; L1195-L1200 HydrophobicContact CG-CD1 4.39Å; L1195-L1203 HydrophobicContact CD2-CB 4.21Å; L1195-L1203 HydrophobicContact CD2-CD2 3.58Å
1196E85.5Confident88.2Confident68 Ų6858 Ų5832%0.31829%0.285SS..  trans-144167.8178.5-58.3-171.1109.600110.9K1163 I1192 R1286K1163-E1196 IonicContact NZ-OE2 3.16Å; K1163-E1196 PolarHBondContact NZ-OE2 3.21Å; I1192-E1196 WeakPolarHBondContact CG2-OE2 3.38Å; E1196-R1286 IonicContact OE1-CZ 2.71Å; E1196-R1286 VanDerWaalsContact OE1-CZ 3.22Å; E1196-R1286 IonicContact OE1-NH1 2.84Å; E1196-R1286 PolarHBondContact OE1-NH1 3Å; E1196-R1286 IonicContact OE1-NH2 2.93Å; E1196-R1286 PolarHBondContact OE1-NH2 3.02Å
1197G87.1Confident89.4Confident49 Ų4955.5 Ų55.551%0.50527%0.268SS..THydrogen-bonded Turntrans64.3-142.4177.200000114Q1199 L1200 E1201G1197-Q1199 PolarHBondContact O-N 3.39Å; G1197-L1200 WeakPolarHBondContact O-CB 3.43Å; G1197-L1200 PolarHBondContact O-N 3.14Å; G1197-L1200 VanDerWaalsContact O-N 3.1Å; G1197-E1201 PolarHBondContact O-N 3.15Å
1198N87.7Confident90.2Very high119 Ų11959.7 Ų59.764%0.63629%0.292SS*.Hα-helixtrans-55.5-48-172.5-69.1-2000112.9L1200 E1201 Y1202N1198-L1200 PolarHBondContact O-N 2.97Å; N1198-E1201 PolarHBondContact O-N 3.17Å; N1198-Y1202 WeakPolarHBondContact O-CD2 3.4Å; N1198-Y1202 PolarHBondContact O-N 3.14Å
1199Q91.7Very high90.7Very high7 Ų756.9 Ų56.93%0.03328%0.281CS..Hα-helixtrans-59.8-30.1-178.5-71.4-72.622.100112.5D1137 P1138 N1139 D1145 L1195 G1197 L1203D1137-Q1199 PolarHBondContact OD1-NE2 2.94Å; P1138-Q1199 WeakPolarHBondContact CB-O 3.46Å; N1139-Q1199 VanDerWaalsContact CG-CD 3.47Å; N1139-Q1199 PolarHBondContact ND2-NE2 3.01Å; N1139-Q1199 PolarHBondContact ND2-OE1 3.45Å; D1145-Q1199 PolarHBondContact OD1-NE2 3.14Å; L1195-Q1199 HydrophobicContact CD1-CB 3.44Å; L1195-Q1199 VanDerWaalsContact CD1-CB 3.44Å; L1195-Q1199 HydrophobicContact CD1-CG 4.49Å; L1195-Q1199 HydrophobicContact CG-CB 4.32Å; G1197-Q1199 PolarHBondContact O-N 3.39Å; Q1199-L1203 WeakPolarHBondContact O-CB 3.36Å; Q1199-L1203 PolarHBondContact O-N 3Å; Q1199-L1203 VanDerWaalsContact O-N 3.1Å
1200L92.5Very high91.1Very high7 Ų754.7 Ų54.74%0.03727%0.273CS..Hα-helixtrans-72.3-42.6173.4-178.262000112.6L1195 G1197 N1198 L1203 K1204 P1284 F1307L1195-L1200 HydrophobicContact CD2-CB 4.31Å; L1195-L1200 HydrophobicContact CD2-CD1 4.13Å; L1195-L1200 HydrophobicContact CG-CB 4.03Å; L1195-L1200 HydrophobicContact CG-CD1 4.39Å; G1197-L1200 WeakPolarHBondContact O-CB 3.43Å; G1197-L1200 PolarHBondContact O-N 3.14Å; G1197-L1200 VanDerWaalsContact O-N 3.1Å; N1198-L1200 PolarHBondContact O-N 2.97Å; L1200-L1203 PolarHBondContact O-N 3.11Å; L1200-K1204 WeakPolarHBondContact O-CG 3.39Å; L1200-K1204 PolarHBondContact O-N 3.22Å; L1200-P1284 HydrophobicContact CD2-CG 4.2Å; L1200-F1307 HydrophobicContact CD1-CE2 4.05Å; L1200-F1307 HydrophobicContact CD1-CZ 3.87Å
1201E92.4Very high91.5Very high98 Ų9849.5 Ų49.546%0.45825%0.25SC..Hα-helixtrans-70.2-34.5178.6-62.7-55137.300112.5G1197 N1198 K1204 Y1205G1197-E1201 PolarHBondContact O-N 3.15Å; N1198-E1201 PolarHBondContact O-N 3.17Å; E1201-K1204 WeakPolarHBondContact O-CB 3.41Å; E1201-K1204 PolarHBondContact O-N 3.31Å; E1201-K1204 IonicContact OE1-NZ 2.73Å; E1201-K1204 PolarHBondContact OE1-NZ 3.29Å; E1201-K1204 VanDerWaalsContact OE2-CD 3.25Å; E1201-K1204 WeakPolarHBondContact OE2-CD 3.47Å; E1201-K1204 IonicContact OE2-NZ 3.34Å; E1201-K1204 PolarHBondContact OE2-NZ 3.25Å; E1201-Y1205 PolarHBondContact O-N 3.07Å
1202Y94.2Very high91.7Very high104 Ų10449.5 Ų49.541%0.40825%0.249SC..Hα-helixtrans-66.2-40169.9-86.8-93.4000112.1P1138 N1139 N1198 K1204 Y1205 H1206P1138-Y1202 WeakPolarHBondContact O-CB 3.28Å; N1139-Y1202 HydrophobicContact CB-CD1 4.12Å; N1139-Y1202 HydrophobicContact CB-CD2 3.62Å; N1139-Y1202 HydrophobicContact CB-CE1 4.43Å; N1139-Y1202 HydrophobicContact CB-CE2 3.98Å; N1139-Y1202 HydrophobicContact CB-CG 3.69Å; N1198-Y1202 WeakPolarHBondContact O-CD2 3.4Å; N1198-Y1202 PolarHBondContact O-N 3.14Å; Y1202-K1204 VanDerWaalsContact C-N 3.33Å; Y1202-K1204 PolarHBondContact O-N 2.98Å; Y1202-Y1205 WeakPolarHBondContact O-CB 3.36Å; Y1202-Y1205 PolarHBondContact O-N 3.16Å; Y1202-Y1205 VanDerWaalsContact O-N 3.1Å; Y1202-H1206 PolarHBondContact O-CD2 3.11Å; Y1202-H1206 PolarHBondContact O-N 3.15Å
1203L94.4Very high91.9Very high0 Ų049.9 Ų49.90%025%0.25CC..Hα-helixtrans-63-39.1174.6-177.658.5000112.3T1118 P1138 T1158 I1160 L1195 Q1199 L1200 Y1205 H1206 S1207 F1307T1118-L1203 HydrophobicContact CG2-CD1 3.97Å; P1138-L1203 HydrophobicContact CB-CB 3.99Å; P1138-L1203 HydrophobicContact CG-CB 3.99Å; P1138-L1203 HydrophobicContact CG-CD1 4.44Å; T1158-L1203 HydrophobicContact CG2-CD1 3.76Å; T1158-L1203 HydrophobicContact CG2-CD2 3.86Å; T1158-L1203 HydrophobicContact CG2-CG 4.48Å; I1160-L1203 HydrophobicContact CD1-CD2 3.95Å; I1160-L1203 HydrophobicContact CG1-CD2 3.91Å; L1195-L1203 HydrophobicContact CD2-CB 4.21Å; L1195-L1203 HydrophobicContact CD2-CD2 3.58Å; Q1199-L1203 WeakPolarHBondContact O-CB 3.36Å; Q1199-L1203 PolarHBondContact O-N 3Å; Q1199-L1203 VanDerWaalsContact O-N 3.1Å; L1200-L1203 PolarHBondContact O-N 3.11Å; L1203-Y1205 VanDerWaalsContact C-N 3.32Å; L1203-H1206 PolarHBondContact O-N 3.25Å; L1203-S1207 WeakPolarHBondContact O-CB 2.89Å; L1203-S1207 PolarHBondContact O-N 3.15Å; L1203-S1207 PolarHBondContact O-OG 2.74Å; L1203-F1307 HydrophobicContact CD1-CB 4.42Å; L1203-F1307 HydrophobicContact CD2-CB 4.45Å; L1203-F1307 HydrophobicContact CD2-CD2 3.55Å; L1203-F1307 HydrophobicContact CD2-CE2 4.04Å; L1203-F1307 HydrophobicContact CD2-CG 4.18Å; L1203-F1307 HydrophobicContact CG-CB 4.14Å; L1203-F1307 HydrophobicContact CG-CD2 3.97Å; L1203-F1307 HydrophobicContact CG-CG 4.1Å
1204K94.5Very high91.9Very high13 Ų1349.8 Ų49.86%0.05725%0.249CC..Hα-helixtrans-64.5-32.6171.6-72.1170.1172-179.40113.3L1200 E1201 Y1202 N1242 T1280 F1283 F1307L1200-K1204 WeakPolarHBondContact O-CG 3.39Å; L1200-K1204 PolarHBondContact O-N 3.22Å; E1201-K1204 WeakPolarHBondContact O-CB 3.41Å; E1201-K1204 PolarHBondContact O-N 3.31Å; E1201-K1204 IonicContact OE1-NZ 2.73Å; E1201-K1204 PolarHBondContact OE1-NZ 3.29Å; E1201-K1204 VanDerWaalsContact OE2-CD 3.25Å; E1201-K1204 WeakPolarHBondContact OE2-CD 3.47Å; E1201-K1204 IonicContact OE2-NZ 3.34Å; E1201-K1204 PolarHBondContact OE2-NZ 3.25Å; Y1202-K1204 VanDerWaalsContact C-N 3.33Å; Y1202-K1204 PolarHBondContact O-N 2.98Å; K1204-N1242 PolarHBondContact NZ-ND2 3.15Å; K1204-T1280 PolarHBondContact O-OG1 3.31Å; K1204-F1283 WeakPolarHBondContact CE-O 3.5Å; K1204-F1283 PolarHBondContact NZ-O 2.91Å; K1204-F1307 HydrophobicContact CG-CD1 4.43Å; K1204-F1307 HydrophobicContact CG-CE1 3.82Å; K1204-F1307 HydrophobicContact CG-CZ 4.43Å
1205Y93.7Very high92Very high108 Ų10849.8 Ų49.842%0.42425%0.246SC..Hα-helixtrans-72.4-37.6176170.6-114.1000111.9M1072 E1201 Y1202 L1203 S1207M1072-Y1205 HydrophobicContact CB-CE2 4.3Å; M1072-Y1205 HydrophobicContact CE-CD2 3.96Å; M1072-Y1205 HydrophobicContact CE-CE1 4.24Å; M1072-Y1205 HydrophobicContact CE-CE2 3.49Å; M1072-Y1205 VanDerWaalsContact CE-CE2 3.49Å; M1072-Y1205 HydrophobicContact CG-CD2 4.28Å; M1072-Y1205 HydrophobicContact CG-CE2 3.66Å; M1072-Y1205 HydrophobicContact SD-CD2 4.43Å; M1072-Y1205 HydrophobicContact SD-CE2 3.51Å; M1072-Y1205 VanDerWaalsContact SD-CE2 3.51Å; E1201-Y1205 PolarHBondContact O-N 3.07Å; Y1202-Y1205 WeakPolarHBondContact O-CB 3.36Å; Y1202-Y1205 PolarHBondContact O-N 3.16Å; Y1202-Y1205 VanDerWaalsContact O-N 3.1Å; L1203-Y1205 VanDerWaalsContact C-N 3.32Å; Y1205-S1207 PolarHBondContact O-N 3Å
1206H93.4Very high91.8Very high75 Ų7549.6 Ų49.635%0.34725%0.245SC..SBendtrans-75.41.1175.7-73-57.5000114.8T1118 P1138 Y1202 L1203T1118-H1206 HydrophobicContact CG2-CB 3.75Å; P1138-H1206 PolarHBondContact O-CD2 2.91Å; P1138-H1206 PolarHBondContact O-NE2 3.05Å; Y1202-H1206 PolarHBondContact O-CD2 3.11Å; Y1202-H1206 PolarHBondContact O-N 3.15Å; L1203-H1206 PolarHBondContact O-N 3.25Å
1207S95.5Very high91.7Very high10 Ų1047.2 Ų47.27%0.0724%0.235CC..  trans-134.1142.9-174-53.30000111.9L1203 Y1205 T1280 F1307 Q1308L1203-S1207 WeakPolarHBondContact O-CB 2.89Å; L1203-S1207 PolarHBondContact O-N 3.15Å; L1203-S1207 PolarHBondContact O-OG 2.74Å; Y1205-S1207 PolarHBondContact O-N 3Å; S1207-T1280 WeakPolarHBondContact O-CG2 3.38Å; S1207-F1307 WeakPolarHBondContact OG-CB 3.41Å; S1207-Q1308 CarbonylContact C-O 3.56Å; S1207-Q1308 WeakPolarHBondContact CA-O 3.43Å; S1207-Q1308 WeakPolarHBondContact CB-O 3.26Å
1208L93.2Very high91.2Very high149 Ų14945.1 Ų45.178%0.7821%0.212SC*.SBendtrans-92.2-32.6178.4-65.8173.9000112.1Q1308L1208-Q1308 PolarHBondContact N-O 3.13Å
1209I94.2Very high90.5Very high58 Ų5841 Ų4130%0.29719%0.192SC..EExtended strand (participates in β ladder)trans-128.4133.8-172.4-60.9178.6000110.1K1277 G1278 F1307 Q1308I1209-K1277 HydrophobicContact CG2-CG 3.94Å; I1209-G1278 WeakPolarHBondContact CA-O 3.25Å; I1209-F1307 WeakPolarHBondContact O-CA 3.39Å; I1209-Q1308 PolarHBondContact N-O 3.43Å; I1209-Q1308 PolarHBondContact O-N 2.75Å
1210G94.6Very high89.3Confident0 Ų043 Ų430%020%0.203CC..EExtended strand (participates in β ladder)trans-99.3146.9162.800000111.4K1277 G1278 F1283 C1306G1210-K1277 WeakPolarHBondContact O-CA 3.34Å; G1210-G1278 PolarHBondContact N-O 2.77Å; G1210-G1278 PolarHBondContact O-N 2.77Å; G1210-G1278 VanDerWaalsContact O-N 3.08Å; G1210-F1283 VanDerWaalsContact C-CZ 3.42Å; G1210-F1283 WeakPolarHBondContact O-CE2 3.46Å; G1210-F1283 WeakPolarHBondContact O-CZ 3.4Å; G1210-C1306 CarbonylContact C-O 3.57Å; G1210-C1306 VanDerWaalsContact CA-O 3.3Å; G1210-C1306 WeakPolarHBondContact CA-O 3.35Å
1211T95.2Very high88Confident14 Ų1445.5 Ų45.59%0.08621%0.214CC..EExtended strand (participates in β ladder)trans-133.3132.1174.934.80000109.1E1157 I1276 K1277 C1306E1157-T1211 PolarHBondContact OE1-OG1 2.92Å; T1211-I1276 CarbonylContact C-O 3.59Å; T1211-I1276 WeakPolarHBondContact CA-O 3.46Å; T1211-K1277 HydrophobicContact CG2-CB 4.07Å; T1211-K1277 HydrophobicContact CG2-CD 3.72Å; T1211-K1277 HydrophobicContact CG2-CG 3.66Å; T1211-C1306 PolarHBondContact N-O 2.87Å; T1211-C1306 PolarHBondContact O-N 3.15Å; T1211-C1306 VanDerWaalsContact OG1-CB 3.3Å; T1211-C1306 WeakPolarHBondContact OG1-CB 2.92Å; T1211-C1306 PolarHBondContact OG1-O 3.41Å
1212Q93.7Very high86.2Confident2 Ų245.3 Ų45.31%0.00922%0.223CC..EExtended strand (participates in β ladder)trans-145142.6170.8-165.2165.59.300110.1Y1193 I1276 F1283 I1285 G1303 V1305Y1193-Q1212 PolarHBondContact OH-NE2 3.24Å; Q1212-I1276 PolarHBondContact N-O 3.42Å; Q1212-I1276 WeakPolarHBondContact O-CD1 3.19Å; Q1212-I1276 PolarHBondContact O-N 3.23Å; Q1212-F1283 HydrophobicContact CB-CD1 4.08Å; Q1212-F1283 HydrophobicContact CB-CE1 3.76Å; Q1212-I1285 VanDerWaalsContact OE1-N 3.16Å; Q1212-G1303 PolarHBondContact NE2-O 2.69Å; Q1212-V1305 HydrophobicContact CB-CB 4.48Å; Q1212-V1305 HydrophobicContact CB-CG2 4.39Å; Q1212-V1305 HydrophobicContact CG-CB 4.21Å
1213Q92Very high84.3Confident75 Ų7547.1 Ų47.135%0.3524%0.24SC..EExtended strand (participates in β ladder)trans-114.3143.6176-71.2-179.3-7.300110.4Y1215 F1274 L1275 G1303Q1213-Y1215 PolarHBondContact OE1-OH 3.09Å; Q1213-F1274 VanDerWaalsContact CA-O 3.26Å; Q1213-F1274 WeakPolarHBondContact CA-O 3.39Å; Q1213-L1275 HydrophobicContact CG-CD1 3.81Å; Q1213-G1303 WeakPolarHBondContact O-CA 3.46Å; Q1213-G1303 PolarHBondContact O-N 3.29Å
1214I90.1Very high82.2Confident0 Ų052.2 Ų52.20%026%0.263CS..EExtended strand (participates in β ladder)trans-134.9136.2178-57.8-178.1000107.9L1239 A1273 F1274 I1276 I1285 I1288 V1300 I1302I1214-L1239 HydrophobicContact CD1-CD1 4.05Å; I1214-L1239 HydrophobicContact CD1-CD2 3.62Å; I1214-L1239 HydrophobicContact CD1-CG 4.44Å; I1214-A1273 WeakPolarHBondContact O-CA 3.3Å; I1214-F1274 HydrophobicContact CB-CB 4.46Å; I1214-F1274 HydrophobicContact CB-CD2 4.34Å; I1214-F1274 HydrophobicContact CG2-CD2 4.43Å; I1214-F1274 PolarHBondContact N-O 3.27Å; I1214-F1274 WeakPolarHBondContact O-CD2 3.45Å; I1214-F1274 PolarHBondContact O-N 3.25Å; I1214-I1276 HydrophobicContact CD1-CD1 4.02Å; I1214-I1276 HydrophobicContact CG1-CD1 4.09Å; I1214-I1285 HydrophobicContact CD1-CG1 4.31Å; I1214-I1285 HydrophobicContact CD1-CG2 4.28Å; I1214-I1288 HydrophobicContact CD1-CD1 4.22Å; I1214-I1288 HydrophobicContact CG2-CD1 4.38Å; I1214-V1300 HydrophobicContact CG2-CG1 3.75Å; I1214-I1302 HydrophobicContact CG1-CG2 4.28Å
1215Y88.2Confident80Confident86 Ų8660.7 Ų60.734%0.33730%0.295SS..EExtended strand (participates in β ladder)trans-117.3138.3177.3-47.7-84.6000110.2Q1213 S1272 A1273 V1300 Q1301Q1213-Y1215 PolarHBondContact OE1-OH 3.09Å; Y1215-S1272 WeakPolarHBondContact CA-O 3.42Å; Y1215-A1273 HydrophobicContact CD1-CB 3.7Å; Y1215-A1273 HydrophobicContact CE1-CB 4.04Å; Y1215-V1300 CarbonylContact O-C 3.58Å; Y1215-V1300 WeakPolarHBondContact O-CA 3.36Å; Y1215-Q1301 HydrophobicContact CD2-CB 4.42Å; Y1215-Q1301 PolarHBondContact N-O 3.47Å; Y1215-Q1301 PolarHBondContact O-N 3.41Å
1216E84.5Confident77.6Confident0 Ų063 Ų630%031%0.314CS..EExtended strand (participates in β ladder)trans-118.5103.7179.1175.2-170.1-159.300107.9C1218 F1236 I1237 C1263 K1271 S1272 F1274E1216-C1218 HydrophobicContact CG-CB 4.19Å; E1216-F1236 WeakPolarHBondContact OE1-CB 3.46Å; E1216-I1237 HydrophobicContact CG-CG2 4.43Å; E1216-C1263 VanDerWaalsContact CD-SG 3.57Å; E1216-C1263 PolarHBondContact OE2-SG 3.37Å; E1216-K1271 CarbonylContact O-C 3.56Å; E1216-K1271 WeakPolarHBondContact O-CA 3.15Å; E1216-S1272 PolarHBondContact N-O 3.47Å; E1216-S1272 PolarHBondContact O-N 3.26Å; E1216-F1274 HydrophobicContact CB-CE2 3.86Å; E1216-F1274 WeakPolarHBondContact OE2-CZ 3.22Å
1217D82Confident75.4Confident17 Ų1764.5 Ų64.59%0.09132%0.324CS..EExtended strand (participates in β ladder)trans-86.6108.8170.6-71.312.5000107.5K1270 K1271 N1298 L1299D1217-K1270 WeakPolarHBondContact CA-O 3.2Å; D1217-K1271 WeakPolarHBondContact OD1-CE 3.18Å; D1217-K1271 WeakPolarHBondContact OD1-CG 3.39Å; D1217-K1271 IonicContact OD1-NZ 2.64Å; D1217-K1271 PolarHBondContact OD1-NZ 3.43Å; D1217-K1271 IonicContact OD2-NZ 2.65Å; D1217-K1271 PolarHBondContact OD2-NZ 3.44Å; D1217-N1298 CarbonylContact O-C 3.59Å; D1217-N1298 WeakPolarHBondContact O-CA 2.99Å; D1217-L1299 HydrophobicContact CB-CB 4.11Å; D1217-L1299 WeakPolarHBondContact CB-O 3.14Å; D1217-L1299 PolarHBondContact N-O 3.01Å; D1217-L1299 PolarHBondContact O-N 3.11Å
1218C77.5Confident72.5Confident5 Ų568.5 Ų68.53%0.03435%0.352CS..EExtended strand (participates in β ladder)trans-119.4133.2-166.549.40000111.1E1216 C1263 K1270 N1298E1216-C1218 HydrophobicContact CG-CB 4.19Å; C1218-C1263 HydrophobicContact CB-CB 4.01Å; C1218-C1263 WeakPolarHBondContact CB-SG 3.06Å; C1218-C1263 WeakPolarHBondContact SG-CA 3.4Å; C1218-C1263 WeakPolarHBondContact SG-CB 3.46Å; C1218-C1263 CovalentContact SG-SG 2.02Å; C1218-C1263 PolarHBondContact SG-SG 3.35Å; C1218-K1270 PolarHBondContact N-O 3.18Å; C1218-K1270 PolarHBondContact O-N 3.1Å; C1218-K1270 VanDerWaalsContact SG-CB 3.54Å; C1218-N1298 WeakPolarHBondContact CA-OD1 3.5Å; C1218-N1298 WeakPolarHBondContact CB-OD1 3.1Å
1219S72.6Confident69.6Low32 Ų3266.2 Ų66.222%0.22435%0.348CS..EExtended strand (participates in β ladder)trans-135.7107.4179.9-169.20000110.1S1296 E1297S1219-S1296 CarbonylContact O-C 3.42Å; S1219-S1296 WeakPolarHBondContact O-CA 3.43Å; S1219-E1297 PolarHBondContact N-O 3.04Å; S1219-E1297 PolarHBondContact O-N 3.27Å
1220I67Low66.6Low49 Ų4967.7 Ų67.725%0.25136%0.364SS..EExtended strand (participates in β ladder)trans-76.7125.9178.5-68.8159.1000109F1236 P1266I1220-F1236 HydrophobicContact CD1-CZ 4.34Å; I1220-P1266 HydrophobicContact CD1-CB 4.32Å
1221K64.3Low63.6Low60 Ų6072.1 Ų72.126%0.26140%0.395SS..  trans-66.1138.2178.4-61.6-167.5176-159.20109.7D1223 H1224 I1295 E1297K1221-D1223 PolarHBondContact O-N 3.27Å; K1221-H1224 PolarHBondContact O-N 3Å; K1221-I1295 PolarHBondContact N-O 3.28Å; K1221-E1297 VanDerWaalsContact CE-CD 3.49Å; K1221-E1297 WeakPolarHBondContact CE-OE1 3.05Å; K1221-E1297 IonicContact NZ-OE1 3.27Å; K1221-E1297 PolarHBondContact NZ-OE1 3.16Å
1222S54.5Low60.9Low95 Ų9577.3 Ų77.366%0.66443%0.432SS*.THydrogen-bonded Turntrans-53.3-29.9-165.541.40000115.2
1223D55.2Low58.6Low142 Ų14281.9 Ų81.976%0.75946%0.464SS*.THydrogen-bonded Turntrans-90.1-19-161.7-49.1-15.7000111.9K1221 R1225K1221-D1223 PolarHBondContact O-N 3.27Å; D1223-R1225 VanDerWaalsContact C-N 3.34Å; D1223-R1225 PolarHBondContact O-N 3.23Å
1224H51.1Low56.7Low106 Ų10680.9 Ų80.949%0.49146%0.461SS..  trans-94.741.2179.8-83.7-65.3000113.8K1221 L1226 I1295K1221-H1224 PolarHBondContact O-N 3Å; H1224-L1226 PolarHBondContact O-N 3.42Å; H1224-I1295 HydrophobicContact CB-CG1 4.31Å; H1224-I1295 HydrophobicContact CB-CG2 3.87Å
1225R46.9Very low55.3Low191 Ų19182 Ų8272%0.72147%0.467SS*.THydrogen-bonded Turntrans-68.48.9-172.8-139.8-179.8-168.9-160.64.4116.3D1223D1223-R1225 VanDerWaalsContact C-N 3.34Å; D1223-R1225 PolarHBondContact O-N 3.23Å
1226L43.7Very low54.5Low158 Ų15879.2 Ų79.283%0.82746%0.456SS*.THydrogen-bonded Turntrans-104.9-8.8-166.9-73.3171.6000116H1224 S1228H1224-L1226 PolarHBondContact O-N 3.42Å; L1226-S1228 PolarHBondContact O-N 3.42Å; L1226-S1228 VanDerWaalsContact O-N 3.11Å
1227L47.2Very low54.4Low106 Ų10679.4 Ų79.456%0.55546%0.458SS*.  trans-82.624.8-179.3-68.2176.6000114.6S1229 I1295L1227-S1229 PolarHBondContact O-N 3.22Å; L1227-I1295 HydrophobicContact CD1-CD1 3.74Å
1228S35.4Very low54.6Low94 Ų9481.6 Ų81.666%0.65747%0.466SS*.  trans-81.613.4-173.3-169.20000114.6L1226L1226-S1228 PolarHBondContact O-N 3.42Å; L1226-S1228 VanDerWaalsContact O-N 3.11Å
1229S30.6Very low55.3Low100 Ų10081.5 Ų81.570%0.69947%0.465SS*.  trans-137.454.7-163.663.50000114.4L1227L1227-S1229 PolarHBondContact O-N 3.22Å
1230S31.3Very low56.2Low90 Ų9081.4 Ų81.463%0.62946%0.461SS*.SBendtrans-149.2149.8162.2-810000111.6
1231S32.5Very low57.4Low93 Ų9379.1 Ų79.165%0.6545%0.449SS*.  trans-61.6130.5-166.447.90000116.6S1233S1231-S1233 VanDerWaalsContact C-N 3.3Å; S1231-S1233 PolarHBondContact O-N 3.27Å
1232S38.1Very low58.5Low123 Ų12378.7 Ų78.786%0.8645%0.45SS*.SBendtrans63.7-18.2138.4-50.30000121.9
1233S44.9Very low60Low97 Ų9778.9 Ų78.968%0.67844%0.443SS*.  trans-140.437-174.852.60000114.5S1231 L1235S1231-S1233 VanDerWaalsContact C-N 3.3Å; S1231-S1233 PolarHBondContact O-N 3.27Å; S1233-L1235 VanDerWaalsContact C-N 3.26Å; S1233-L1235 PolarHBondContact O-N 3.18Å
1234N53.5Low61.5Low55 Ų5574.7 Ų74.729%0.29443%0.434SS..  trans-71.975.1175.2-64.6-10.9000112.1
1235L61Low63.4Low22 Ų2273.1 Ų73.112%0.11543%0.429CS..  trans-97137.2162.9-131.373.7000109.2S1233 I1237 Y1256 F1274S1233-L1235 VanDerWaalsContact C-N 3.26Å; S1233-L1235 PolarHBondContact O-N 3.18Å; L1235-I1237 HydrophobicContact CD2-CG1 3.76Å; L1235-I1237 HydrophobicContact CG-CG1 4.27Å; L1235-I1237 PolarHBondContact O-N 3.04Å; L1235-Y1256 HydrophobicContact CD2-CE2 4.34Å; L1235-F1274 HydrophobicContact CD1-CE1 3.65Å; L1235-F1274 HydrophobicContact CD1-CZ 3.73Å; L1235-F1274 HydrophobicContact CD2-CD1 4.34Å; L1235-F1274 HydrophobicContact CD2-CE1 3.6Å; L1235-F1274 HydrophobicContact CD2-CE2 4.48Å; L1235-F1274 HydrophobicContact CD2-CZ 3.68Å; L1235-F1274 HydrophobicContact CG-CE1 4.07Å; L1235-F1274 HydrophobicContact CG-CZ 3.89Å
1236F71.4Confident65.5Low28 Ų2868 Ų6812%0.12341%0.413CS..SBendtrans-89.911.8176.1-55.8-84.5000112.4E1216 I1220 C1263 L1291 N1298E1216-F1236 WeakPolarHBondContact OE1-CB 3.46Å; I1220-F1236 HydrophobicContact CD1-CZ 4.34Å; F1236-C1263 HydrophobicContact CD2-CB 4.37Å; F1236-C1263 HydrophobicContact CE2-CB 4.33Å; F1236-L1291 PolarHBondContact O-N 3.11Å; F1236-N1298 WeakPolarHBondContact CB-ND2 3.21Å
1237I81.2Confident67.7Low5 Ų560.7 Ų60.73%0.02638%0.375CS..EExtended strand (participates in β ladder)trans-133.4145.4177.672.1178.3000111.8E1216 L1235 L1239 F1274 I1288 E1289 L1290 V1300E1216-I1237 HydrophobicContact CG-CG2 4.43Å; L1235-I1237 HydrophobicContact CD2-CG1 3.76Å; L1235-I1237 HydrophobicContact CG-CG1 4.27Å; L1235-I1237 PolarHBondContact O-N 3.04Å; I1237-L1239 HydrophobicContact CD1-CD2 3.94Å; I1237-L1239 HydrophobicContact CD1-CG 4.41Å; I1237-L1239 HydrophobicContact CG1-CD2 4.44Å; I1237-F1274 HydrophobicContact CD1-CD2 3.87Å; I1237-F1274 HydrophobicContact CD1-CE2 3.51Å; I1237-F1274 HydrophobicContact CD1-CZ 4.25Å; I1237-F1274 HydrophobicContact CG1-CE2 4.36Å; I1237-I1288 HydrophobicContact CB-CG2 4.32Å; I1237-E1289 CarbonylContact C-O 3.59Å; I1237-E1289 WeakPolarHBondContact CA-O 3.04Å; I1237-L1290 HydrophobicContact CG2-CD2 3.64Å; I1237-V1300 HydrophobicContact CG2-CG2 4.08Å
1238K87.5Confident69.6Low63 Ų6358 Ų5827%0.27437%0.365SS..EExtended strand (participates in β ladder)trans-110.7148.6158.2-67.2168.3166.7-119.10109.7F1240 E1246 I1288 E1289 L1291K1238-F1240 HydrophobicContact CB-CE2 3.77Å; K1238-F1240 HydrophobicContact CB-CZ 4.08Å; K1238-F1240 HydrophobicContact CD-CZ 4.33Å; K1238-E1246 WeakPolarHBondContact CE-OE1 3.41Å; K1238-E1246 IonicContact NZ-OE1 3.97Å; K1238-E1246 PolarHBondContact NZ-OE1 3.39Å; K1238-E1246 IonicContact NZ-OE2 3.28Å; K1238-E1246 PolarHBondContact NZ-OE2 3.22Å; K1238-I1288 WeakPolarHBondContact O-CA 3.34Å; K1238-E1289 HydrophobicContact CB-CB 4.24Å; K1238-E1289 VanDerWaalsContact CD-OE2 3.3Å; K1238-E1289 WeakPolarHBondContact CD-OE2 3.48Å; K1238-E1289 PolarHBondContact N-O 3.1Å; K1238-E1289 PolarHBondContact O-N 3.49Å; K1238-L1291 HydrophobicContact CD-CD2 4.29Å; K1238-L1291 HydrophobicContact CG-CD1 4.23Å
1239L90.9Very high71.8Confident2 Ų259.5 Ų59.51%0.0136%0.357CS..EExtended strand (participates in β ladder)trans-120.7132.9-176.8-58.9177.4000109.8I1214 I1237 L1247 I1276 I1285 I1288I1214-L1239 HydrophobicContact CD1-CD1 4.05Å; I1214-L1239 HydrophobicContact CD1-CD2 3.62Å; I1214-L1239 HydrophobicContact CD1-CG 4.44Å; I1237-L1239 HydrophobicContact CD1-CD2 3.94Å; I1237-L1239 HydrophobicContact CD1-CG 4.41Å; I1237-L1239 HydrophobicContact CG1-CD2 4.44Å; L1239-L1247 HydrophobicContact CB-CB 4.32Å; L1239-L1247 HydrophobicContact CB-CD1 4.16Å; L1239-L1247 PolarHBondContact O-N 3.27Å; L1239-I1276 HydrophobicContact CD1-CD1 4.23Å; L1239-I1276 HydrophobicContact CD1-CG1 4.5Å; L1239-I1285 HydrophobicContact CB-CG2 4.49Å; L1239-I1288 HydrophobicContact CD2-CD1 4.04Å; L1239-I1288 HydrophobicContact CD2-CG1 3.84Å; L1239-I1288 HydrophobicContact CD2-CG2 4.35Å
1240F92.3Very high74.2Confident30 Ų3060.9 Ų60.913%0.13236%0.356CS..EExtended strand (participates in β ladder)trans-120.3129.1-176.6-60.7-94.2000111.8F1188 K1238 N1245 E1246 I1285 R1286 G1287 E1289F1188-F1240 HydrophobicContact CD2-CD2 4.48Å; F1188-F1240 HydrophobicContact CD2-CE2 4.33Å; F1188-F1240 AromaticContact CE2-CD2 3.83Å; F1188-F1240 HydrophobicContact CE2-CD2 3.83Å; F1188-F1240 HydrophobicContact CE2-CE2 4.08Å; F1188-F1240 HydrophobicContact CE2-CG 4.35Å; K1238-F1240 HydrophobicContact CB-CE2 3.77Å; K1238-F1240 HydrophobicContact CB-CZ 4.08Å; K1238-F1240 HydrophobicContact CD-CZ 4.33Å; F1240-N1245 WeakPolarHBondContact CA-O 3.04Å; F1240-E1246 HydrophobicContact CD1-CB 4.14Å; F1240-E1246 HydrophobicContact CE1-CB 3.86Å; F1240-E1246 HydrophobicContact CE1-CG 4.22Å; F1240-E1246 HydrophobicContact CZ-CG 4.48Å; F1240-I1285 CarbonylContact O-C 3.58Å; F1240-I1285 WeakPolarHBondContact O-CA 3.32Å; F1240-I1285 WeakPolarHBondContact O-CG2 3.43Å; F1240-R1286 PolarHBondContact O-N 3.34Å; F1240-G1287 PolarHBondContact N-O 2.9Å; F1240-G1287 PolarHBondContact O-N 3.27Å; F1240-E1289 HydrophobicContact CE2-CB 3.78Å; F1240-E1289 HydrophobicContact CZ-CB 4.5Å
1241T92.4Very high76.8Confident1 Ų160.3 Ų60.31%0.00634%0.344CS..  trans-64.8170.5176.856.90000112.6N1243 G1244 N1245 L1247 L1254 R1282T1241-N1243 WeakPolarHBondContact CB-OD1 3.28Å; T1241-N1243 PolarHBondContact O-N 3.08Å; T1241-N1243 PolarHBondContact OG1-OD1 3.3Å; T1241-G1244 PolarHBondContact O-N 3.46Å; T1241-N1245 PolarHBondContact N-O 3.19Å; T1241-N1245 WeakPolarHBondContact OG1-CB 3.4Å; T1241-N1245 PolarHBondContact OG1-N 3.48Å; T1241-N1245 PolarHBondContact OG1-O 2.65Å; T1241-L1247 HydrophobicContact CG2-CD1 4.37Å; T1241-L1247 HydrophobicContact CG2-CD2 3.48Å; T1241-L1247 VanDerWaalsContact CG2-CD2 3.48Å; T1241-L1247 HydrophobicContact CG2-CG 3.84Å; T1241-L1254 HydrophobicContact CG2-CD2 4.47Å; T1241-R1282 WeakPolarHBondContact CA-O 3.43Å; T1241-R1282 WeakPolarHBondContact CB-O 3.04Å; T1241-R1282 HydrophobicContact CG2-CB 3.85Å; T1241-R1282 HydrophobicContact CG2-CG 4.43Å; T1241-R1282 WeakPolarHBondContact CG2-O 3.03Å
1242N87.8Confident79Confident52 Ų5261.2 Ų61.228%0.27835%0.347SS..THydrogen-bonded Turntrans-60.1-20.5179.496.6-54.5000114.5K1204 A1281 R1282 F1283 P1284 R1286K1204-N1242 PolarHBondContact NZ-ND2 3.15Å; N1242-A1281 PolarHBondContact OD1-O 3.39Å; N1242-A1281 VanDerWaalsContact OD1-O 3.08Å; N1242-R1282 PolarHBondContact N-O 3.34Å; N1242-F1283 WeakPolarHBondContact CB-O 3.23Å; N1242-P1284 WeakPolarHBondContact CA-O 3.2Å; N1242-P1284 WeakPolarHBondContact CB-O 3.48Å; N1242-P1284 PolarHBondContact N-O 3.42Å; N1242-R1286 HydrophobicContact CB-CG 4.12Å
1243N85.4Confident81Confident98 Ų9864.3 Ų64.352%0.52434%0.342SS..THydrogen-bonded Turntrans-104.519.5176.762.3-0.4000113.1T1241 N1245T1241-N1243 WeakPolarHBondContact CB-OD1 3.28Å; T1241-N1243 PolarHBondContact O-N 3.08Å; T1241-N1243 PolarHBondContact OG1-OD1 3.3Å; N1243-N1245 VanDerWaalsContact C-N 3.34Å; N1243-N1245 VanDerWaalsContact CG-ND2 3.25Å; N1243-N1245 PolarHBondContact ND2-ND2 3.24Å; N1243-N1245 PolarHBondContact O-N 3.15Å; N1243-N1245 PolarHBondContact OD1-ND2 3Å
1244G86.5Confident82.9Confident54 Ų5461.2 Ų61.256%0.55732%0.317SS*.SBendtrans77.28.8169.500000116T1241T1241-G1244 PolarHBondContact O-N 3.46Å
1245N90.6Very high84.5Confident73 Ų7359.4 Ų59.439%0.3931%0.312SS..PPolyproline II helixtrans-80.3134.6176.6-64.7-76000110.4F1240 T1241 N1243 L1247 L1254F1240-N1245 WeakPolarHBondContact CA-O 3.04Å; T1241-N1245 PolarHBondContact N-O 3.19Å; T1241-N1245 WeakPolarHBondContact OG1-CB 3.4Å; T1241-N1245 PolarHBondContact OG1-N 3.48Å; T1241-N1245 PolarHBondContact OG1-O 2.65Å; N1243-N1245 VanDerWaalsContact C-N 3.34Å; N1243-N1245 VanDerWaalsContact CG-ND2 3.25Å; N1243-N1245 PolarHBondContact ND2-ND2 3.24Å; N1243-N1245 PolarHBondContact O-N 3.15Å; N1243-N1245 PolarHBondContact OD1-ND2 3Å; N1245-L1247 PolarHBondContact O-N 3.41Å; N1245-L1254 HydrophobicContact CB-CD1 4.02Å
1246E91.3Very high85.8Confident84 Ų8459.8 Ų59.839%0.39331%0.312SS..EExtended strand (participates in β ladder)trans-69.1127.6172.4-172.1175.1154.200110.2K1238 F1240K1238-E1246 WeakPolarHBondContact CE-OE1 3.41Å; K1238-E1246 IonicContact NZ-OE1 3.97Å; K1238-E1246 PolarHBondContact NZ-OE1 3.39Å; K1238-E1246 IonicContact NZ-OE2 3.28Å; K1238-E1246 PolarHBondContact NZ-OE2 3.22Å; F1240-E1246 HydrophobicContact CD1-CB 4.14Å; F1240-E1246 HydrophobicContact CE1-CB 3.86Å; F1240-E1246 HydrophobicContact CE1-CG 4.22Å; F1240-E1246 HydrophobicContact CZ-CG 4.48Å
1247L90.3Very high86.6Confident4 Ų464.2 Ų64.22%0.02133%0.333CS..EExtended strand (participates in β ladder)trans-81.5139.8170.3-63.9175.7000109.9L1239 T1241 N1245 L1254 Y1256 I1276 I1285L1239-L1247 HydrophobicContact CB-CB 4.32Å; L1239-L1247 HydrophobicContact CB-CD1 4.16Å; L1239-L1247 PolarHBondContact O-N 3.27Å; T1241-L1247 HydrophobicContact CG2-CD1 4.37Å; T1241-L1247 HydrophobicContact CG2-CD2 3.48Å; T1241-L1247 VanDerWaalsContact CG2-CD2 3.48Å; T1241-L1247 HydrophobicContact CG2-CG 3.84Å; N1245-L1247 PolarHBondContact O-N 3.41Å; L1247-L1254 WeakPolarHBondContact CA-O 3.14Å; L1247-L1254 WeakPolarHBondContact CB-O 3.31Å; L1247-L1254 HydrophobicContact CD2-CB 3.99Å; L1247-L1254 HydrophobicContact CD2-CD2 4.17Å; L1247-L1254 VanDerWaalsContact CD2-O 3.26Å; L1247-L1254 WeakPolarHBondContact CD2-O 3.18Å; L1247-Y1256 HydrophobicContact CB-CD1 3.93Å; L1247-Y1256 HydrophobicContact CB-CE1 4.43Å; L1247-I1276 HydrophobicContact CD1-CG1 3.92Å; L1247-I1276 HydrophobicContact CD1-CG2 3.78Å; L1247-I1285 HydrophobicContact CD1-CD1 3.5Å
1248S86.8Confident86.8Confident49 Ų4966 Ų6634%0.34334%0.342SS..  trans-138.8134.6-179.6176.90000110.4D1250 H1251 L1254 G1255S1248-D1250 VanDerWaalsContact C-N 3.27Å; S1248-D1250 PolarHBondContact O-N 3.16Å; S1248-H1251 WeakPolarHBondContact O-CB 3.47Å; S1248-H1251 PolarHBondContact O-N 3.17Å; S1248-L1254 PolarHBondContact N-O 2.9Å; S1248-G1255 WeakPolarHBondContact O-CA 3.27Å
1249Y81.2Confident86.7Confident127 Ų12767.4 Ų67.450%0.49835%0.352SS..THydrogen-bonded Turntrans-50.2-44.6-175.9176.1-102.6000112.9H1251 Y1256 I1258Y1249-H1251 VanDerWaalsContact C-N 3.32Å; Y1249-H1251 PolarHBondContact O-N 3.17Å; Y1249-Y1256 HydrophobicContact CD2-CE2 4.35Å; Y1249-Y1256 WeakPolarHBondContact CD2-O 3.47Å; Y1249-I1258 HydrophobicContact CD2-CD1 3.66Å; Y1249-I1258 HydrophobicContact CD2-CG1 3.72Å; Y1249-I1258 HydrophobicContact CE2-CD1 3.94Å; Y1249-I1258 HydrophobicContact CE2-CG1 3.94Å; Y1249-I1258 HydrophobicContact CG-CD1 4.25Å
1250D82Confident86.3Confident128 Ų12871.2 Ų71.268%0.68437%0.369SS*.THydrogen-bonded Turntrans-81.7-3-176.3-56.1-67.2000114.3S1248S1248-D1250 VanDerWaalsContact C-N 3.27Å; S1248-D1250 PolarHBondContact O-N 3.16Å
1251H84.6Confident85.6Confident78 Ų7872.8 Ų72.836%0.36138%0.379SS..  trans-86.2122.8-173.2-167.4-30.2000111.9S1248 Y1249 Y1253 L1254 G1255S1248-H1251 WeakPolarHBondContact O-CB 3.47Å; S1248-H1251 PolarHBondContact O-N 3.17Å; Y1249-H1251 VanDerWaalsContact C-N 3.32Å; Y1249-H1251 PolarHBondContact O-N 3.17Å; H1251-Y1253 VanDerWaalsContact C-N 3.31Å; H1251-Y1253 PolarHBondContact ND1-N 3.36Å; H1251-Y1253 PolarHBondContact O-N 3.36Å; H1251-Y1253 VanDerWaalsContact O-N 3.12Å; H1251-L1254 HydrophobicContact CB-CB 4.12Å; H1251-L1254 PolarHBondContact O-N 2.75Å; H1251-G1255 WeakPolarHBondContact O-CA 3.38Å; H1251-G1255 PolarHBondContact O-N 3.45Å
1252P79.5Confident85Confident112 Ų11275.5 Ų75.573%0.72739%0.394SS*.THydrogen-bonded Turntrans-60.6-29.9-174.719-33000115.8
1253Y79.1Confident84.3Confident188 Ų18873.2 Ų73.274%0.73738%0.382SS*.THydrogen-bonded Turntrans-110.5-21-178.7-56.5-69.6000114H1251 R1282H1251-Y1253 VanDerWaalsContact C-N 3.31Å; H1251-Y1253 PolarHBondContact ND1-N 3.36Å; H1251-Y1253 PolarHBondContact O-N 3.36Å; H1251-Y1253 VanDerWaalsContact O-N 3.12Å; Y1253-R1282 WeakPolarHBondContact O-CD 3.38Å; Y1253-R1282 PolarHBondContact O-NH1 3.36Å
1254L85.8Confident83.4Confident32 Ų3273.1 Ų73.117%0.16838%0.378CS..THydrogen-bonded Turntrans-112.224.1176.7-62178.7000112T1241 N1245 L1247 S1248 H1251 R1282T1241-L1254 HydrophobicContact CG2-CD2 4.47Å; N1245-L1254 HydrophobicContact CB-CD1 4.02Å; L1247-L1254 WeakPolarHBondContact CA-O 3.14Å; L1247-L1254 WeakPolarHBondContact CB-O 3.31Å; L1247-L1254 HydrophobicContact CD2-CB 3.99Å; L1247-L1254 HydrophobicContact CD2-CD2 4.17Å; L1247-L1254 VanDerWaalsContact CD2-O 3.26Å; L1247-L1254 WeakPolarHBondContact CD2-O 3.18Å; S1248-L1254 PolarHBondContact N-O 2.9Å; H1251-L1254 HydrophobicContact CB-CB 4.12Å; H1251-L1254 PolarHBondContact O-N 2.75Å; L1254-R1282 HydrophobicContact CD2-CG 4.43Å
1255G86.1Confident82.2Confident18 Ų1876.5 Ų76.519%0.18638%0.377CS..  trans-71.9147.6179.800000113.7S1248 H1251 R1282S1248-G1255 WeakPolarHBondContact O-CA 3.27Å; H1251-G1255 WeakPolarHBondContact O-CA 3.38Å; H1251-G1255 PolarHBondContact O-N 3.45Å; G1255-R1282 PolarHBondContact O-NH1 3.1Å
1256Y89.4Confident80.6Confident30 Ų3075.9 Ų75.912%0.11838%0.378CS..  trans-125147.7162.260.9-96.3000109.2L1235 L1247 Y1249 I1258 F1274L1235-Y1256 HydrophobicContact CD2-CE2 4.34Å; L1247-Y1256 HydrophobicContact CB-CD1 3.93Å; L1247-Y1256 HydrophobicContact CB-CE1 4.43Å; Y1249-Y1256 HydrophobicContact CD2-CE2 4.35Å; Y1249-Y1256 WeakPolarHBondContact CD2-O 3.47Å; Y1256-I1258 HydrophobicContact CD2-CG1 3.99Å; Y1256-I1258 HydrophobicContact CE2-CD1 4.07Å; Y1256-I1258 HydrophobicContact CE2-CG1 3.73Å; Y1256-F1274 HydrophobicContact CD2-CD1 4.07Å; Y1256-F1274 AromaticContact CE2-CD1 4Å; Y1256-F1274 HydrophobicContact CE2-CD1 4Å; Y1256-F1274 HydrophobicContact CE2-CE1 4.45Å
1257E88.4Confident79.1Confident121 Ų12174.9 Ų74.957%0.56538%0.384SS*.EExtended strand (participates in β ladder)trans-92.2142.8173.8179.8176.5-167.400109.6F1274 L1275E1257-F1274 CarbonylContact O-C 3.56Å; E1257-F1274 WeakPolarHBondContact O-CA 3.3Å; E1257-L1275 HydrophobicContact CB-CB 4.32Å; E1257-L1275 PolarHBondContact N-O 3.24Å; E1257-L1275 PolarHBondContact O-N 3.24Å
1258I85.3Confident77.7Confident43 Ų4377.3 Ų77.322%0.22141%0.409CS..EExtended strand (participates in β ladder)trans-103.798.8176-50.4170.9000108Y1249 Y1256 Q1260 N1261 A1273 F1274Y1249-I1258 HydrophobicContact CD2-CD1 3.66Å; Y1249-I1258 HydrophobicContact CD2-CG1 3.72Å; Y1249-I1258 HydrophobicContact CE2-CD1 3.94Å; Y1249-I1258 HydrophobicContact CE2-CG1 3.94Å; Y1249-I1258 HydrophobicContact CG-CD1 4.25Å; Y1256-I1258 HydrophobicContact CD2-CG1 3.99Å; Y1256-I1258 HydrophobicContact CE2-CD1 4.07Å; Y1256-I1258 HydrophobicContact CE2-CG1 3.73Å; I1258-Q1260 VanDerWaalsContact CG2-O 3.31Å; I1258-Q1260 WeakPolarHBondContact CG2-O 3.43Å; I1258-Q1260 PolarHBondContact O-N 3Å; I1258-N1261 HydrophobicContact CG2-CB 3.82Å; I1258-A1273 CarbonylContact C-O 3.49Å; I1258-F1274 HydrophobicContact CB-CD1 4.47Å; I1258-F1274 HydrophobicContact CG1-CD1 4.03Å; I1258-F1274 HydrophobicContact CG1-CE1 4.14Å; I1258-F1274 HydrophobicContact CG2-CD1 4.14Å; I1258-F1274 HydrophobicContact CG2-CE1 3.92Å
1259I84.8Confident76.8Confident91 Ų9181 Ų8147%0.46742%0.424SS..EExtended strand (participates in β ladder)trans-61.6-39178.6-53.8165.1000110.1A1273 L1275I1259-A1273 HydrophobicContact CB-CB 4.21Å; I1259-A1273 PolarHBondContact N-O 3.33Å; I1259-L1275 HydrophobicContact CD1-CB 3.94Å; I1259-L1275 HydrophobicContact CG1-CB 3.98Å
1260Q83.1Confident76.6Confident82 Ų8277.8 Ų77.838%0.38341%0.413SS..EExtended strand (participates in β ladder)trans-147.7129.9-176-173.8174.5-29.800109.2I1258 N1262 K1271 S1272 A1273I1258-Q1260 VanDerWaalsContact CG2-O 3.31Å; I1258-Q1260 WeakPolarHBondContact CG2-O 3.43Å; I1258-Q1260 PolarHBondContact O-N 3Å; Q1260-N1262 PolarHBondContact NE2-ND2 3.13Å; Q1260-K1271 PolarHBondContact NE2-O 3.16Å; Q1260-S1272 CarbonylContact O-C 3.58Å; Q1260-S1272 WeakPolarHBondContact O-CA 3.49Å; Q1260-S1272 WeakPolarHBondContact O-CB 3.26Å; Q1260-A1273 HydrophobicContact CB-CB 4.02Å; Q1260-A1273 PolarHBondContact N-O 3.04Å; Q1260-A1273 PolarHBondContact O-N 3.13Å
1261N78.1Confident76.5Confident63 Ų6376 Ų7634%0.33740%0.399SS..  trans-127.293.4174.8-170.1-16.2000110I1258I1258-N1261 HydrophobicContact CG2-CB 3.82Å
1262N78.8Confident76.5Confident59 Ų5972.3 Ų72.332%0.31638%0.382SS..  trans-107.1-15.3175.4-65.8-8.7000112.8Q1260 H1264 F1265 K1270 K1271 S1272Q1260-N1262 PolarHBondContact NE2-ND2 3.13Å; N1262-H1264 PolarHBondContact O-N 3.11Å; N1262-H1264 VanDerWaalsContact O-N 3.12Å; N1262-F1265 PolarHBondContact O-N 3.28Å; N1262-K1270 HydrophobicContact CB-CB 3.84Å; N1262-K1270 HydrophobicContact CB-CD 4.14Å; N1262-K1270 HydrophobicContact CB-CG 4.3Å; N1262-K1270 VanDerWaalsContact O-CG 3.3Å; N1262-K1270 WeakPolarHBondContact O-CG 3.47Å; N1262-K1271 WeakPolarHBondContact CB-O 3.45Å; N1262-S1272 PolarHBondContact N-OG 3.08Å
1263C74.2Confident76.9Confident3 Ų367.2 Ų67.22%0.0235%0.35CS..THydrogen-bonded Turntrans-63.1-16.4179.7-59.70000113.8E1216 C1218 F1236 F1265 S1272E1216-C1263 VanDerWaalsContact CD-SG 3.57Å; E1216-C1263 PolarHBondContact OE2-SG 3.37Å; C1218-C1263 HydrophobicContact CB-CB 4.01Å; C1218-C1263 WeakPolarHBondContact CB-SG 3.06Å; C1218-C1263 WeakPolarHBondContact SG-CA 3.4Å; C1218-C1263 WeakPolarHBondContact SG-CB 3.46Å; C1218-C1263 CovalentContact SG-SG 2.02Å; C1218-C1263 PolarHBondContact SG-SG 3.35Å; F1236-C1263 HydrophobicContact CD2-CB 4.37Å; F1236-C1263 HydrophobicContact CE2-CB 4.33Å; C1263-F1265 PolarHBondContact O-N 3.24Å; C1263-S1272 PolarHBondContact N-OG 3.04Å; C1263-S1272 PolarHBondContact SG-OG 3.33Å
1264H65.5Low77.4Confident97 Ų9758.3 Ų58.345%0.44932%0.315SS..THydrogen-bonded Turntrans-67.5-11175.3-159.265.7000114.4N1262N1262-H1264 PolarHBondContact O-N 3.11Å; N1262-H1264 VanDerWaalsContact O-N 3.12Å
1265F61.4Low77.7Confident124 Ų12458.3 Ų58.354%0.54432%0.315SS..SBendtrans-103.9119.4-177.2-67.1-77.4000112.9N1262 C1263 A1267N1262-F1265 PolarHBondContact O-N 3.28Å; C1263-F1265 PolarHBondContact O-N 3.24Å; F1265-A1267 VanDerWaalsContact C-N 3.26Å; F1265-A1267 PolarHBondContact O-N 3.14Å
1266P56.8Low78Confident61 Ų6157.4 Ų57.440%0.39631%0.306SS..SBendtrans-81.439.8-166.535.1-39.6000115.3I1220I1220-P1266 HydrophobicContact CD1-CB 4.32Å
1267A60.1Low78.2Confident63 Ų6361.3 Ų61.352%0.52132%0.324SS..SBendtrans-155.2112.9-177.500000115F1265 K1270F1265-A1267 VanDerWaalsContact C-N 3.26Å; F1265-A1267 PolarHBondContact O-N 3.14Å; A1267-K1270 WeakPolarHBondContact O-CE 3.46Å; A1267-K1270 PolarHBondContact O-NZ 3.42Å
1268G60.7Low78.4Confident54 Ų5456.6 Ų56.656%0.55731%0.307SS*.SBendtrans82.5167.3177.900000113.3K1270G1268-K1270 WeakPolarHBondContact O-CG 3.41Å; G1268-K1270 PolarHBondContact O-N 3.39Å
1269L67.8Low78.7Confident126 Ų12657.7 Ų57.766%0.6632%0.319SS*.  trans-61.7130.8-179.7-147.7110.9000110.7
1270K77.3Confident79.1Confident61 Ų6154.1 Ų54.127%0.26530%0.301SS..EExtended strand (participates in β ladder)trans-124.8164.9-180-57.4-59170-159.20110.7D1217 C1218 N1262 A1267 G1268D1217-K1270 WeakPolarHBondContact CA-O 3.2Å; C1218-K1270 PolarHBondContact N-O 3.18Å; C1218-K1270 PolarHBondContact O-N 3.1Å; C1218-K1270 VanDerWaalsContact SG-CB 3.54Å; N1262-K1270 HydrophobicContact CB-CB 3.84Å; N1262-K1270 HydrophobicContact CB-CD 4.14Å; N1262-K1270 HydrophobicContact CB-CG 4.3Å; N1262-K1270 VanDerWaalsContact O-CG 3.3Å; N1262-K1270 WeakPolarHBondContact O-CG 3.47Å; A1267-K1270 WeakPolarHBondContact O-CE 3.46Å; A1267-K1270 PolarHBondContact O-NZ 3.42Å; G1268-K1270 WeakPolarHBondContact O-CG 3.41Å; G1268-K1270 PolarHBondContact O-N 3.39Å
1271K81Confident79.4Confident90 Ų9052.8 Ų52.839%0.39130%0.304SS..EExtended strand (participates in β ladder)trans-132.1123.2174.9-64.3-171.4164.7-89.90109.7E1216 D1217 Q1260 N1262E1216-K1271 CarbonylContact O-C 3.56Å; E1216-K1271 WeakPolarHBondContact O-CA 3.15Å; D1217-K1271 WeakPolarHBondContact OD1-CE 3.18Å; D1217-K1271 WeakPolarHBondContact OD1-CG 3.39Å; D1217-K1271 IonicContact OD1-NZ 2.64Å; D1217-K1271 PolarHBondContact OD1-NZ 3.43Å; D1217-K1271 IonicContact OD2-NZ 2.65Å; D1217-K1271 PolarHBondContact OD2-NZ 3.44Å; Q1260-K1271 PolarHBondContact NE2-O 3.16Å; N1262-K1271 WeakPolarHBondContact CB-O 3.45Å
1272S83.8Confident80Confident0 Ų051.1 Ų51.10%029%0.293CS..EExtended strand (participates in β ladder)trans-104153.3162-68.40000110.2Y1215 E1216 Q1260 N1262 C1263Y1215-S1272 WeakPolarHBondContact CA-O 3.42Å; E1216-S1272 PolarHBondContact N-O 3.47Å; E1216-S1272 PolarHBondContact O-N 3.26Å; Q1260-S1272 CarbonylContact O-C 3.58Å; Q1260-S1272 WeakPolarHBondContact O-CA 3.49Å; Q1260-S1272 WeakPolarHBondContact O-CB 3.26Å; N1262-S1272 PolarHBondContact N-OG 3.08Å; C1263-S1272 PolarHBondContact N-OG 3.04Å; C1263-S1272 PolarHBondContact SG-OG 3.33Å
1273A87.6Confident80.7Confident6 Ų648.3 Ų48.35%0.0528%0.278CS..EExtended strand (participates in β ladder)trans-141.2128.2-176.300000110.8I1214 Y1215 I1258 I1259 Q1260I1214-A1273 WeakPolarHBondContact O-CA 3.3Å; Y1215-A1273 HydrophobicContact CD1-CB 3.7Å; Y1215-A1273 HydrophobicContact CE1-CB 4.04Å; I1258-A1273 CarbonylContact C-O 3.49Å; I1259-A1273 HydrophobicContact CB-CB 4.21Å; I1259-A1273 PolarHBondContact N-O 3.33Å; Q1260-A1273 HydrophobicContact CB-CB 4.02Å; Q1260-A1273 PolarHBondContact N-O 3.04Å; Q1260-A1273 PolarHBondContact O-N 3.13Å
1274F89.9Confident81.6Confident0 Ų048.2 Ų48.20%028%0.277CS..EExtended strand (participates in β ladder)trans-117.3137.3-172.9-50.1-70.5000110.2Q1213 I1214 E1216 L1235 I1237 Y1256 E1257 I1258Q1213-F1274 VanDerWaalsContact CA-O 3.26Å; Q1213-F1274 WeakPolarHBondContact CA-O 3.39Å; I1214-F1274 HydrophobicContact CB-CB 4.46Å; I1214-F1274 HydrophobicContact CB-CD2 4.34Å; I1214-F1274 HydrophobicContact CG2-CD2 4.43Å; I1214-F1274 PolarHBondContact N-O 3.27Å; I1214-F1274 WeakPolarHBondContact O-CD2 3.45Å; I1214-F1274 PolarHBondContact O-N 3.25Å; E1216-F1274 HydrophobicContact CB-CE2 3.86Å; E1216-F1274 WeakPolarHBondContact OE2-CZ 3.22Å; L1235-F1274 HydrophobicContact CD1-CE1 3.65Å; L1235-F1274 HydrophobicContact CD1-CZ 3.73Å; L1235-F1274 HydrophobicContact CD2-CD1 4.34Å; L1235-F1274 HydrophobicContact CD2-CE1 3.6Å; L1235-F1274 HydrophobicContact CD2-CE2 4.48Å; L1235-F1274 HydrophobicContact CD2-CZ 3.68Å; L1235-F1274 HydrophobicContact CG-CE1 4.07Å; L1235-F1274 HydrophobicContact CG-CZ 3.89Å; I1237-F1274 HydrophobicContact CD1-CD2 3.87Å; I1237-F1274 HydrophobicContact CD1-CE2 3.51Å; I1237-F1274 HydrophobicContact CD1-CZ 4.25Å; I1237-F1274 HydrophobicContact CG1-CE2 4.36Å; Y1256-F1274 HydrophobicContact CD2-CD1 4.07Å; Y1256-F1274 AromaticContact CE2-CD1 4Å; Y1256-F1274 HydrophobicContact CE2-CD1 4Å; Y1256-F1274 HydrophobicContact CE2-CE1 4.45Å; E1257-F1274 CarbonylContact O-C 3.56Å; E1257-F1274 WeakPolarHBondContact O-CA 3.3Å; I1258-F1274 HydrophobicContact CB-CD1 4.47Å; I1258-F1274 HydrophobicContact CG1-CD1 4.03Å; I1258-F1274 HydrophobicContact CG1-CE1 4.14Å; I1258-F1274 HydrophobicContact CG2-CD1 4.14Å; I1258-F1274 HydrophobicContact CG2-CE1 3.92Å
1275L92.3Very high82.9Confident32 Ų3243.6 Ų43.617%0.16826%0.256CS..EExtended strand (participates in β ladder)trans-117.9114.3173175.258.8000109.5Q1213 E1257 I1259Q1213-L1275 HydrophobicContact CG-CD1 3.81Å; E1257-L1275 HydrophobicContact CB-CB 4.32Å; E1257-L1275 PolarHBondContact N-O 3.24Å; E1257-L1275 PolarHBondContact O-N 3.24Å; I1259-L1275 HydrophobicContact CD1-CB 3.94Å; I1259-L1275 HydrophobicContact CG1-CB 3.98Å
1276I92.9Very high84.4Confident0 Ų040.4 Ų40.40%024%0.24CC..EExtended strand (participates in β ladder)trans-98.3118.8170.7-47.783.1000106.6T1211 Q1212 I1214 L1239 L1247 F1283 I1285T1211-I1276 CarbonylContact C-O 3.59Å; T1211-I1276 WeakPolarHBondContact CA-O 3.46Å; Q1212-I1276 PolarHBondContact N-O 3.42Å; Q1212-I1276 WeakPolarHBondContact O-CD1 3.19Å; Q1212-I1276 PolarHBondContact O-N 3.23Å; I1214-I1276 HydrophobicContact CD1-CD1 4.02Å; I1214-I1276 HydrophobicContact CG1-CD1 4.09Å; L1239-I1276 HydrophobicContact CD1-CD1 4.23Å; L1239-I1276 HydrophobicContact CD1-CG1 4.5Å; L1247-I1276 HydrophobicContact CD1-CG1 3.92Å; L1247-I1276 HydrophobicContact CD1-CG2 3.78Å; I1276-F1283 HydrophobicContact CB-CE1 3.96Å; I1276-F1283 HydrophobicContact CB-CZ 4.12Å; I1276-F1283 HydrophobicContact CG2-CE1 3.81Å; I1276-F1283 HydrophobicContact CG2-CZ 3.68Å; I1276-F1283 WeakPolarHBondContact O-CZ 3.47Å; I1276-I1285 HydrophobicContact CD1-CG1 4.49Å; I1276-I1285 HydrophobicContact CG1-CD1 4.37Å; I1276-I1285 HydrophobicContact CG2-CD1 4.38Å
1277K92.9Very high86Confident112 Ų11237.5 Ų37.549%0.48722%0.222SC..EExtended strand (participates in β ladder)trans-136.1138.7176.3-177.2167.3-172.4171.70111.1I1209 G1210 T1211 R1282I1209-K1277 HydrophobicContact CG2-CG 3.94Å; G1210-K1277 WeakPolarHBondContact O-CA 3.34Å; T1211-K1277 HydrophobicContact CG2-CB 4.07Å; T1211-K1277 HydrophobicContact CG2-CD 3.72Å; T1211-K1277 HydrophobicContact CG2-CG 3.66Å; K1277-R1282 PolarHBondContact O-NH2 3.31Å
1278G91.6Very high87.4Confident22 Ų2234.5 Ų34.523%0.22720%0.197CC..EExtended strand (participates in β ladder)trans151.9-154.7178.200000113I1209 G1210 T1280I1209-G1278 WeakPolarHBondContact CA-O 3.25Å; G1210-G1278 PolarHBondContact N-O 2.77Å; G1210-G1278 PolarHBondContact O-N 2.77Å; G1210-G1278 VanDerWaalsContact O-N 3.08Å; G1278-T1280 PolarHBondContact O-N 3.42Å
1279S92.1Very high88.6Confident65 Ų6533.8 Ų33.846%0.45518%0.179SC..EExtended strand (participates in β ladder)trans-54.3135.9-177.51770000113.4A1281 R1282 F1283S1279-A1281 PolarHBondContact O-N 3.37Å; S1279-A1281 PolarHBondContact OG-N 3.06Å; S1279-R1282 PolarHBondContact O-N 3.13Å; S1279-R1282 VanDerWaalsContact O-N 3.13Å; S1279-F1283 VanDerWaalsContact O-CD2 3.28Å; S1279-F1283 WeakPolarHBondContact O-CD2 3.48Å
1280T93.3Very high89.3Confident17 Ų1727.8 Ų27.810%0.10415%0.148CC..G310 helixtrans-55.7-27.2176.853.60000113.7K1204 S1207 G1278 R1282 F1283 F1307K1204-T1280 PolarHBondContact O-OG1 3.31Å; S1207-T1280 WeakPolarHBondContact O-CG2 3.38Å; G1278-T1280 PolarHBondContact O-N 3.42Å; T1280-R1282 PolarHBondContact O-N 2.98Å; T1280-R1282 VanDerWaalsContact O-N 3.12Å; T1280-F1283 PolarHBondContact O-N 3.38Å; T1280-F1307 HydrophobicContact CG2-CD1 3.97Å
1281A89.8Confident89.2Confident54 Ų5426.9 Ų26.945%0.44615%0.146SC..G310 helixtrans-66.6-7.6177.200000114.9N1242 S1279N1242-A1281 PolarHBondContact OD1-O 3.39Å; N1242-A1281 VanDerWaalsContact OD1-O 3.08Å; S1279-A1281 PolarHBondContact O-N 3.37Å; S1279-A1281 PolarHBondContact OG-N 3.06Å
1282R90.9Very high88.6Confident27 Ų2724.6 Ų24.610%0.10214%0.138CC..G310 helixtrans-93.6-11.7172.1-58-176.9-51159.322.5112.9T1241 N1242 Y1253 L1254 G1255 K1277 S1279 T1280T1241-R1282 WeakPolarHBondContact CA-O 3.43Å; T1241-R1282 WeakPolarHBondContact CB-O 3.04Å; T1241-R1282 HydrophobicContact CG2-CB 3.85Å; T1241-R1282 HydrophobicContact CG2-CG 4.43Å; T1241-R1282 WeakPolarHBondContact CG2-O 3.03Å; N1242-R1282 PolarHBondContact N-O 3.34Å; Y1253-R1282 WeakPolarHBondContact O-CD 3.38Å; Y1253-R1282 PolarHBondContact O-NH1 3.36Å; L1254-R1282 HydrophobicContact CD2-CG 4.43Å; G1255-R1282 PolarHBondContact O-NH1 3.1Å; K1277-R1282 PolarHBondContact O-NH2 3.31Å; S1279-R1282 PolarHBondContact O-N 3.13Å; S1279-R1282 VanDerWaalsContact O-N 3.13Å; T1280-R1282 PolarHBondContact O-N 2.98Å; T1280-R1282 VanDerWaalsContact O-N 3.12Å
1283F93.6Very high87.5Confident0 Ų024.7 Ų24.70%014%0.139CC..  trans-108.6159.6-170.4-66.2-86.4000112.1K1204 G1210 Q1212 N1242 I1276 S1279 T1280 V1305 F1307K1204-F1283 WeakPolarHBondContact CE-O 3.5Å; K1204-F1283 PolarHBondContact NZ-O 2.91Å; G1210-F1283 VanDerWaalsContact C-CZ 3.42Å; G1210-F1283 WeakPolarHBondContact O-CE2 3.46Å; G1210-F1283 WeakPolarHBondContact O-CZ 3.4Å; Q1212-F1283 HydrophobicContact CB-CD1 4.08Å; Q1212-F1283 HydrophobicContact CB-CE1 3.76Å; N1242-F1283 WeakPolarHBondContact CB-O 3.23Å; I1276-F1283 HydrophobicContact CB-CE1 3.96Å; I1276-F1283 HydrophobicContact CB-CZ 4.12Å; I1276-F1283 HydrophobicContact CG2-CE1 3.81Å; I1276-F1283 HydrophobicContact CG2-CZ 3.68Å; I1276-F1283 WeakPolarHBondContact O-CZ 3.47Å; S1279-F1283 VanDerWaalsContact O-CD2 3.28Å; S1279-F1283 WeakPolarHBondContact O-CD2 3.48Å; T1280-F1283 PolarHBondContact O-N 3.38Å; F1283-V1305 HydrophobicContact CB-CG2 4.05Å; F1283-V1305 HydrophobicContact CD1-CG2 3.93Å; F1283-V1305 HydrophobicContact CG-CG2 4.32Å; F1283-F1307 HydrophobicContact CB-CE1 3.99Å; F1283-F1307 HydrophobicContact CB-CZ 4.22Å
1284P92.6Very high86Confident1 Ų127.8 Ų27.81%0.00615%0.151CC..SBendcis-63.5165.3-13.927.4-34.9000112.9Y1193 L1200 N1242 R1286 V1305Y1193-P1284 HydrophobicContact CD1-CB 4.26Å; Y1193-P1284 HydrophobicContact CD2-CB 3.93Å; Y1193-P1284 HydrophobicContact CD2-CG 3.87Å; Y1193-P1284 HydrophobicContact CE1-CB 3.78Å; Y1193-P1284 HydrophobicContact CE2-CB 3.45Å; Y1193-P1284 VanDerWaalsContact CE2-CB 3.45Å; Y1193-P1284 HydrophobicContact CE2-CG 3.79Å; Y1193-P1284 HydrophobicContact CG-CB 4.33Å; Y1193-P1284 HydrophobicContact CG-CG 4.39Å; L1200-P1284 HydrophobicContact CD2-CG 4.2Å; N1242-P1284 WeakPolarHBondContact CA-O 3.2Å; N1242-P1284 WeakPolarHBondContact CB-O 3.48Å; N1242-P1284 PolarHBondContact N-O 3.42Å; P1284-R1286 PolarHBondContact O-N 3.29Å; P1284-V1305 HydrophobicContact CB-CB 4.48Å; P1284-V1305 HydrophobicContact CB-CG1 4.22Å; P1284-V1305 HydrophobicContact CB-CG2 4.35Å
1285I93.2Very high84.6Confident0 Ų028.2 Ų28.20%015%0.153CC..  trans-63.7124.3161.6-56.4-49.8000107.4L1191 Y1193 Q1212 I1214 L1239 F1240 L1247 I1276L1191-I1285 HydrophobicContact CD1-CB 4.26Å; L1191-I1285 HydrophobicContact CD1-CG2 3.99Å; L1191-I1285 WeakPolarHBondContact CD1-O 3.4Å; Y1193-I1285 VanDerWaalsContact CE2-O 3.28Å; Y1193-I1285 WeakPolarHBondContact CE2-O 3.44Å; Y1193-I1285 PolarHBondContact OH-O 2.89Å; Q1212-I1285 VanDerWaalsContact OE1-N 3.16Å; I1214-I1285 HydrophobicContact CD1-CG1 4.31Å; I1214-I1285 HydrophobicContact CD1-CG2 4.28Å; L1239-I1285 HydrophobicContact CB-CG2 4.49Å; F1240-I1285 CarbonylContact O-C 3.58Å; F1240-I1285 WeakPolarHBondContact O-CA 3.32Å; F1240-I1285 WeakPolarHBondContact O-CG2 3.43Å; L1247-I1285 HydrophobicContact CD1-CD1 3.5Å; I1276-I1285 HydrophobicContact CD1-CG1 4.49Å; I1276-I1285 HydrophobicContact CG1-CD1 4.37Å; I1276-I1285 HydrophobicContact CG2-CD1 4.38Å
1286R91.4Very high83.2Confident57 Ų5726.7 Ų26.722%0.21515%0.145CC..  trans-104.9-24.2-175.8-91.3-65.3-165-167.84.2114E1190 L1191 E1196 F1240 N1242 P1284E1190-R1286 CarbonylContact C-O 3.11Å; E1190-R1286 WeakPolarHBondContact CA-O 3.22Å; L1191-R1286 PolarHBondContact N-O 3.16Å; L1191-R1286 WeakPolarHBondContact O-CD 3.42Å; L1191-R1286 PolarHBondContact O-NH1 3.43Å; E1196-R1286 IonicContact OE1-CZ 2.71Å; E1196-R1286 VanDerWaalsContact OE1-CZ 3.22Å; E1196-R1286 IonicContact OE1-NH1 2.84Å; E1196-R1286 PolarHBondContact OE1-NH1 3Å; E1196-R1286 IonicContact OE1-NH2 2.93Å; E1196-R1286 PolarHBondContact OE1-NH2 3.02Å; F1240-R1286 PolarHBondContact O-N 3.34Å; N1242-R1286 HydrophobicContact CB-CG 4.12Å; P1284-R1286 PolarHBondContact O-N 3.29Å
1287G90.9Very high82Confident1 Ų131 Ų311%0.0117%0.165CC..EExtended strand (participates in β ladder)trans-130.9143.2179.400000112.4Y1189 F1240Y1189-G1287 WeakPolarHBondContact O-CA 3.5Å; F1240-G1287 PolarHBondContact N-O 2.9Å; F1240-G1287 PolarHBondContact O-N 3.27Å
1288I89.5Confident80.9Confident0 Ų025.7 Ų25.70%014%0.142CC..EExtended strand (participates in β ladder)trans-127.3127162.9-58.5-173.7000107.9L1167 F1188 Y1189 L1191 I1214 I1237 K1238 L1239 L1290 V1300 I1302L1167-I1288 HydrophobicContact CD1-CB 4.29Å; L1167-I1288 HydrophobicContact CD1-CD1 4.32Å; F1188-I1288 CarbonylContact C-O 3.59Å; F1188-I1288 WeakPolarHBondContact CA-O 3.34Å; Y1189-I1288 PolarHBondContact N-O 3.45Å; Y1189-I1288 PolarHBondContact O-N 2.82Å; L1191-I1288 HydrophobicContact CD1-CD1 3.97Å; L1191-I1288 HydrophobicContact CD1-CG1 3.91Å; L1191-I1288 HydrophobicContact CD2-CD1 4.38Å; L1191-I1288 HydrophobicContact CD2-CG1 4.5Å; L1191-I1288 HydrophobicContact CG-CG1 4.37Å; I1214-I1288 HydrophobicContact CD1-CD1 4.22Å; I1214-I1288 HydrophobicContact CG2-CD1 4.38Å; I1237-I1288 HydrophobicContact CB-CG2 4.32Å; K1238-I1288 WeakPolarHBondContact O-CA 3.34Å; L1239-I1288 HydrophobicContact CD2-CD1 4.04Å; L1239-I1288 HydrophobicContact CD2-CG1 3.84Å; L1239-I1288 HydrophobicContact CD2-CG2 4.35Å; I1288-L1290 HydrophobicContact CG2-CD2 3.93Å; I1288-V1300 HydrophobicContact CD1-CG1 3.92Å; I1288-I1302 HydrophobicContact CD1-CD1 4.29Å; I1288-I1302 HydrophobicContact CD1-CG1 3.71Å
1289E86.3Confident80.2Confident39 Ų3927.4 Ų27.418%0.18215%0.146CC..EExtended strand (participates in β ladder)trans-107.8115.6172.6-178.7-179.2-163.400109S1186 F1188 I1237 K1238 F1240 L1291S1186-E1289 WeakPolarHBondContact CB-OE1 3.14Å; S1186-E1289 PolarHBondContact OG-OE1 3.37Å; F1188-E1289 HydrophobicContact CD2-CB 4.2Å; I1237-E1289 CarbonylContact C-O 3.59Å; I1237-E1289 WeakPolarHBondContact CA-O 3.04Å; K1238-E1289 HydrophobicContact CB-CB 4.24Å; K1238-E1289 VanDerWaalsContact CD-OE2 3.3Å; K1238-E1289 WeakPolarHBondContact CD-OE2 3.48Å; K1238-E1289 PolarHBondContact N-O 3.1Å; K1238-E1289 PolarHBondContact O-N 3.49Å; F1240-E1289 HydrophobicContact CE2-CB 3.78Å; F1240-E1289 HydrophobicContact CZ-CB 4.5Å; E1289-L1291 HydrophobicContact CG-CD2 4.21Å
1290L81.6Confident79.8Confident0 Ų024.3 Ų24.30%012%0.124CC..EExtended strand (participates in β ladder)trans-80.3121.3172.9-53.7-172.8000109.1S1186 Q1187 Y1189 I1237 I1288 V1300S1186-L1290 CarbonylContact C-O 3.6Å; S1186-L1290 VanDerWaalsContact CA-O 3.25Å; S1186-L1290 WeakPolarHBondContact CA-O 3.21Å; S1186-L1290 WeakPolarHBondContact CB-O 3.1Å; Q1187-L1290 PolarHBondContact N-O 3.46Å; Q1187-L1290 PolarHBondContact O-N 3.33Å; Y1189-L1290 HydrophobicContact CD2-CD1 4.36Å; Y1189-L1290 HydrophobicContact CD2-CG 4.18Å; Y1189-L1290 HydrophobicContact CE2-CD1 3.57Å; Y1189-L1290 HydrophobicContact CE2-CG 3.78Å; I1237-L1290 HydrophobicContact CG2-CD2 3.64Å; I1288-L1290 HydrophobicContact CG2-CD2 3.93Å; L1290-V1300 HydrophobicContact CD2-CG2 3.73Å
1291L75.7Confident79.5Confident42 Ų4226.9 Ų26.922%0.2214%0.135CC..SBendtrans-90.1136.8174.7-55.6179.7000109.3F1236 K1238 E1289F1236-L1291 PolarHBondContact O-N 3.11Å; K1238-L1291 HydrophobicContact CD-CD2 4.29Å; K1238-L1291 HydrophobicContact CG-CD1 4.23Å; E1289-L1291 HydrophobicContact CG-CD2 4.21Å
1292N69.2Low79.4Confident41 Ų4124.7 Ų24.722%0.21912%0.116CC..  trans58.243.3173.1-46.6-26.4000116.1L1184 K1294 I1295 S1296L1184-N1292 WeakPolarHBondContact CB-OD1 3.45Å; L1184-N1292 HydrophobicContact CD2-CB 4.5Å; L1184-N1292 WeakPolarHBondContact CD2-OD1 3.4Å; L1184-N1292 HydrophobicContact CG-CB 4.44Å; N1292-K1294 PolarHBondContact O-N 3.28Å; N1292-K1294 VanDerWaalsContact O-N 3.08Å; N1292-I1295 HydrophobicContact CB-CD1 4.34Å; N1292-I1295 PolarHBondContact O-N 3.48Å; N1292-S1296 PolarHBondContact O-N 2.89Å; N1292-S1296 PolarHBondContact O-OG 3.32Å
1293P61Low79.3Confident3 Ų324.2 Ų24.22%0.01912%0.119CC..THydrogen-bonded Turntrans-64.8-13-179.931.6-36.9000114Y1171 G1185 I1295Y1171-P1293 HydrophobicContact CD2-CB 4.27Å; Y1171-P1293 HydrophobicContact CD2-CG 4.08Å; Y1171-P1293 HydrophobicContact CE2-CG 4.06Å; G1185-P1293 WeakPolarHBondContact O-CD 3.26Å; P1293-I1295 VanDerWaalsContact C-N 3.3Å
1294K56.4Low79.2Confident70 Ų7026.1 Ų26.130%0.30413%0.128SC..THydrogen-bonded Turntrans-66.3-29.2169.1-71.5-179.2174.8173.90112.6E1180 N1183 N1292E1180-K1294 IonicContact OE2-NZ 2.68Å; E1180-K1294 PolarHBondContact OE2-NZ 3.2Å; N1183-K1294 WeakPolarHBondContact O-CE 3.17Å; N1183-K1294 PolarHBondContact O-NZ 3.42Å; N1292-K1294 PolarHBondContact O-N 3.28Å; N1292-K1294 VanDerWaalsContact O-N 3.08Å
1295I59.2Low79.3Confident10 Ų1026.1 Ų26.15%0.05113%0.128CC..THydrogen-bonded Turntrans-102-24.3-169.7-69.5160.4000112.5L1184 K1221 H1224 L1227 N1292 P1293L1184-I1295 HydrophobicContact CD1-CD1 4.01Å; L1184-I1295 HydrophobicContact CD2-CD1 3.95Å; L1184-I1295 HydrophobicContact CG-CD1 3.97Å; K1221-I1295 PolarHBondContact N-O 3.28Å; H1224-I1295 HydrophobicContact CB-CG1 4.31Å; H1224-I1295 HydrophobicContact CB-CG2 3.87Å; L1227-I1295 HydrophobicContact CD1-CD1 3.74Å; N1292-I1295 HydrophobicContact CB-CD1 4.34Å; N1292-I1295 PolarHBondContact O-N 3.48Å; P1293-I1295 VanDerWaalsContact C-N 3.3Å
1296S62.4Low79.5Confident0 Ų026.3 Ų26.30%013%0.129CC..EExtended strand (participates in β ladder)trans-135.1133.3-17549.80000111.4S1169 S1219 N1292 N1298S1169-S1296 PolarHBondContact OG-O 3.26Å; S1219-S1296 CarbonylContact O-C 3.42Å; S1219-S1296 WeakPolarHBondContact O-CA 3.43Å; N1292-S1296 PolarHBondContact O-N 2.89Å; N1292-S1296 PolarHBondContact O-OG 3.32Å; S1296-N1298 WeakPolarHBondContact CB-OD1 3.02Å; S1296-N1298 PolarHBondContact O-N 3.17Å; S1296-N1298 PolarHBondContact OG-ND2 3.38Å
1297E67.7Low79.8Confident91 Ų9123.6 Ų23.643%0.42512%0.119SC..EExtended strand (participates in β ladder)trans-82.6105.4163.8-93.5161.9-153.400107.9S1219 K1221S1219-E1297 PolarHBondContact N-O 3.04Å; S1219-E1297 PolarHBondContact O-N 3.27Å; K1221-E1297 VanDerWaalsContact CE-CD 3.49Å; K1221-E1297 WeakPolarHBondContact CE-OE1 3.05Å; K1221-E1297 IonicContact NZ-OE1 3.27Å; K1221-E1297 PolarHBondContact NZ-OE1 3.16Å
1298N70.2Confident79.9Confident0 Ų027 Ų270%014%0.135CC..EExtended strand (participates in β ladder)trans-114.2116.7-178.5-63.6-23.7000109.4S1169 D1217 C1218 F1236 S1296S1169-N1298 PolarHBondContact N-O 3.34Å; S1169-N1298 VanDerWaalsContact N-O 3.14Å; S1169-N1298 PolarHBondContact OG-N 3.36Å; D1217-N1298 CarbonylContact O-C 3.59Å; D1217-N1298 WeakPolarHBondContact O-CA 2.99Å; C1218-N1298 WeakPolarHBondContact CA-OD1 3.5Å; C1218-N1298 WeakPolarHBondContact CB-OD1 3.1Å; F1236-N1298 WeakPolarHBondContact CB-ND2 3.21Å; S1296-N1298 WeakPolarHBondContact CB-OD1 3.02Å; S1296-N1298 PolarHBondContact O-N 3.17Å; S1296-N1298 PolarHBondContact OG-ND2 3.38Å
1299L77.6Confident79.4Confident57 Ų5728.4 Ų28.430%0.29814%0.142SC..EExtended strand (participates in β ladder)trans-103.7102.5173-178.381.9000107.9T1166 L1167 N1168 D1217T1166-L1299 HydrophobicContact CG2-CD1 3.51Å; T1166-L1299 HydrophobicContact CG2-CD2 4.46Å; T1166-L1299 HydrophobicContact CG2-CG 3.86Å; L1167-L1299 CarbonylContact O-C 3.59Å; L1167-L1299 WeakPolarHBondContact O-CA 3.1Å; N1168-L1299 HydrophobicContact CB-CD1 3.92Å; D1217-L1299 HydrophobicContact CB-CB 4.11Å; D1217-L1299 WeakPolarHBondContact CB-O 3.14Å; D1217-L1299 PolarHBondContact N-O 3.01Å; D1217-L1299 PolarHBondContact O-N 3.11Å
1300V83.6Confident79.1Confident0 Ų027.8 Ų27.80%014%0.139CC..EExtended strand (participates in β ladder)trans-92.9122-178.8179.40000109.5T1166 L1167 I1214 Y1215 I1237 I1288 L1290 I1302T1166-V1300 WeakPolarHBondContact CA-O 3.41Å; L1167-V1300 HydrophobicContact CB-CB 4.4Å; L1167-V1300 PolarHBondContact N-O 3.33Å; L1167-V1300 PolarHBondContact O-N 3.14Å; I1214-V1300 HydrophobicContact CG2-CG1 3.75Å; Y1215-V1300 CarbonylContact O-C 3.58Å; Y1215-V1300 WeakPolarHBondContact O-CA 3.36Å; I1237-V1300 HydrophobicContact CG2-CG2 4.08Å; I1288-V1300 HydrophobicContact CD1-CG1 3.92Å; L1290-V1300 HydrophobicContact CD2-CG2 3.73Å; V1300-I1302 HydrophobicContact CG1-CD1 4.3Å; V1300-I1302 HydrophobicContact CG1-CG1 4.37Å
1301Q87.2Confident78.9Confident72 Ų7229.3 Ų29.334%0.33615%0.147SC..EExtended strand (participates in β ladder)trans-103.6118.5174.8-62.517814.600108.7K1165 T1166 Y1215K1165-Q1301 WeakPolarHBondContact O-CA 3.5Å; T1166-Q1301 HydrophobicContact CG2-CG 4.18Å; Y1215-Q1301 HydrophobicContact CD2-CB 4.42Å; Y1215-Q1301 PolarHBondContact N-O 3.47Å; Y1215-Q1301 PolarHBondContact O-N 3.41Å
1302I88Confident79.1Confident8 Ų828.6 Ų28.64%0.04114%0.143CC..EExtended strand (participates in β ladder)trans-95.5121.3-178.8-52.988.3000109L1162 K1165 L1167 L1191 I1214 I1288 V1300L1162-I1302 HydrophobicContact CD1-CB 4.09Å; L1162-I1302 HydrophobicContact CD1-CG2 3.57Å; L1162-I1302 HydrophobicContact CD2-CB 3.85Å; L1162-I1302 HydrophobicContact CD2-CG1 4.3Å; L1162-I1302 HydrophobicContact CD2-CG2 3.71Å; L1162-I1302 HydrophobicContact CG-CG2 4.31Å; K1165-I1302 PolarHBondContact O-N 3.21Å; L1167-I1302 HydrophobicContact CD1-CD1 3.97Å; L1167-I1302 HydrophobicContact CG-CD1 3.81Å; L1191-I1302 HydrophobicContact CD1-CG1 4.23Å; L1191-I1302 HydrophobicContact CD1-CG2 4.16Å; L1191-I1302 HydrophobicContact CD2-CD1 3.93Å; L1191-I1302 HydrophobicContact CD2-CG1 3.98Å; I1214-I1302 HydrophobicContact CG1-CG2 4.28Å; I1288-I1302 HydrophobicContact CD1-CD1 4.29Å; I1288-I1302 HydrophobicContact CD1-CG1 3.71Å; V1300-I1302 HydrophobicContact CG1-CD1 4.3Å; V1300-I1302 HydrophobicContact CG1-CG1 4.37Å
1303G88.3Confident79.7Confident17 Ų1727.8 Ų27.818%0.17514%0.138CC..EExtended strand (participates in β ladder)trans-74158.9173.700000112.6Q1212 Q1213Q1212-G1303 PolarHBondContact NE2-O 2.69Å; Q1213-G1303 WeakPolarHBondContact O-CA 3.46Å; Q1213-G1303 PolarHBondContact O-N 3.29Å
1304E92.3Very high81Confident40 Ų4029.5 Ų29.519%0.18715%0.146CC..EExtended strand (participates in β ladder)trans-61.6141.3177.8-57.2-174177.700110.2Y1133 C1159 I1160 R1161 K1165Y1133-E1304 PolarHBondContact OH-OE1 3.41Å; Y1133-E1304 PolarHBondContact OH-OE2 2.77Å; Y1133-E1304 VanDerWaalsContact OH-OE2 3.05Å; C1159-E1304 HydrophobicContact CB-CB 4.43Å; I1160-E1304 WeakPolarHBondContact O-CA 3.14Å; I1160-E1304 WeakPolarHBondContact O-CB 2.95Å; R1161-E1304 VanDerWaalsContact CG-CD 3.47Å; R1161-E1304 HydrophobicContact CG-CG 4.04Å; R1161-E1304 WeakPolarHBondContact CG-OE1 2.92Å; R1161-E1304 IonicContact NE-OE1 3.22Å; R1161-E1304 PolarHBondContact NE-OE1 2.8Å; R1161-E1304 VanDerWaalsContact NE-OE1 3.16Å; K1165-E1304 IonicContact NZ-OE1 2.75Å; K1165-E1304 PolarHBondContact NZ-OE1 3.48Å
1305V94.7Very high82.7Confident0 Ų026.6 Ų26.60%014%0.135CC..EExtended strand (participates in β ladder)trans-87125176.960.80000108.9C1159 I1160 Y1193 Q1212 F1283 P1284 F1307C1159-V1305 CarbonylContact C-O 3.55Å; C1159-V1305 VanDerWaalsContact CA-O 3.32Å; C1159-V1305 WeakPolarHBondContact CA-O 3.3Å; I1160-V1305 HydrophobicContact CB-CG1 3.81Å; I1160-V1305 HydrophobicContact CG2-CG1 4.45Å; I1160-V1305 PolarHBondContact N-O 2.75Å; I1160-V1305 PolarHBondContact O-N 3.11Å; Y1193-V1305 HydrophobicContact CD1-CG1 3.71Å; Y1193-V1305 HydrophobicContact CE1-CB 4.1Å; Y1193-V1305 HydrophobicContact CE1-CG1 3.58Å; Q1212-V1305 HydrophobicContact CB-CB 4.48Å; Q1212-V1305 HydrophobicContact CB-CG2 4.39Å; Q1212-V1305 HydrophobicContact CG-CB 4.21Å; F1283-V1305 HydrophobicContact CB-CG2 4.05Å; F1283-V1305 HydrophobicContact CD1-CG2 3.93Å; F1283-V1305 HydrophobicContact CG-CG2 4.32Å; P1284-V1305 HydrophobicContact CB-CB 4.48Å; P1284-V1305 HydrophobicContact CB-CG1 4.22Å; P1284-V1305 HydrophobicContact CB-CG2 4.35Å; V1305-F1307 HydrophobicContact CB-CE2 4.48Å; V1305-F1307 HydrophobicContact CG1-CE2 3.93Å; V1305-F1307 HydrophobicContact CG1-CZ 4.42Å; V1305-F1307 HydrophobicContact CG2-CE1 4.49Å; V1305-F1307 HydrophobicContact CG2-CE2 3.85Å; V1305-F1307 HydrophobicContact CG2-CZ 3.79Å
1306C96.4Very high84.6Confident5 Ų527.8 Ų27.83%0.03414%0.141CC..EExtended strand (participates in β ladder)trans-113145-175.3-63.10000111K1152 E1157 T1158 C1159 G1210 T1211K1152-C1306 PolarHBondContact NZ-SG 2.77Å; E1157-C1306 HydrophobicContact CB-CB 4.19Å; E1157-C1306 HydrophobicContact CG-CB 4.28Å; T1158-C1306 CarbonylContact O-C 3.54Å; T1158-C1306 WeakPolarHBondContact O-CA 3.33Å; C1159-C1306 HydrophobicContact CB-CB 4.13Å; C1159-C1306 WeakPolarHBondContact CB-SG 3.44Å; C1159-C1306 WeakPolarHBondContact SG-CB 2.89Å; C1159-C1306 CovalentContact SG-SG 2.04Å; C1159-C1306 PolarHBondContact SG-SG 3.47Å; G1210-C1306 CarbonylContact C-O 3.57Å; G1210-C1306 VanDerWaalsContact CA-O 3.3Å; G1210-C1306 WeakPolarHBondContact CA-O 3.35Å; T1211-C1306 PolarHBondContact N-O 2.87Å; T1211-C1306 PolarHBondContact O-N 3.15Å; T1211-C1306 VanDerWaalsContact OG1-CB 3.3Å; T1211-C1306 WeakPolarHBondContact OG1-CB 2.92Å; T1211-C1306 PolarHBondContact OG1-O 3.41Å
1307F96.8Very high86.4Confident0 Ų030.2 Ų30.20%015%0.153CC..EExtended strand (participates in β ladder)trans-129136-178-61.8-86000110.3E1157 T1158 I1160 L1200 L1203 K1204 S1207 I1209 T1280 F1283 V1305E1157-F1307 CarbonylContact C-O 3.47Å; E1157-F1307 WeakPolarHBondContact CA-O 3.41Å; T1158-F1307 PolarHBondContact N-O 2.97Å; T1158-F1307 PolarHBondContact O-N 3.36Å; I1160-F1307 HydrophobicContact CG1-CD2 4.44Å; I1160-F1307 HydrophobicContact CG1-CE2 4.25Å; L1200-F1307 HydrophobicContact CD1-CE2 4.05Å; L1200-F1307 HydrophobicContact CD1-CZ 3.87Å; L1203-F1307 HydrophobicContact CD1-CB 4.42Å; L1203-F1307 HydrophobicContact CD2-CB 4.45Å; L1203-F1307 HydrophobicContact CD2-CD2 3.55Å; L1203-F1307 HydrophobicContact CD2-CE2 4.04Å; L1203-F1307 HydrophobicContact CD2-CG 4.18Å; L1203-F1307 HydrophobicContact CG-CB 4.14Å; L1203-F1307 HydrophobicContact CG-CD2 3.97Å; L1203-F1307 HydrophobicContact CG-CG 4.1Å; K1204-F1307 HydrophobicContact CG-CD1 4.43Å; K1204-F1307 HydrophobicContact CG-CE1 3.82Å; K1204-F1307 HydrophobicContact CG-CZ 4.43Å; S1207-F1307 WeakPolarHBondContact OG-CB 3.41Å; I1209-F1307 WeakPolarHBondContact O-CA 3.39Å; T1280-F1307 HydrophobicContact CG2-CD1 3.97Å; F1283-F1307 HydrophobicContact CB-CE1 3.99Å; F1283-F1307 HydrophobicContact CB-CZ 4.22Å; V1305-F1307 HydrophobicContact CB-CE2 4.48Å; V1305-F1307 HydrophobicContact CG1-CE2 3.93Å; V1305-F1307 HydrophobicContact CG1-CZ 4.42Å; V1305-F1307 HydrophobicContact CG2-CE1 4.49Å; V1305-F1307 HydrophobicContact CG2-CE2 3.85Å; V1305-F1307 HydrophobicContact CG2-CZ 3.79Å
1308Q94Very high88.1Confident72 Ų7224.6 Ų24.634%0.33613%0.128SC..  trans-137.60-170.5-170.2-175.341.500112.9T1155 E1157 S1207 L1208 I1209T1155-Q1308 PolarHBondContact O-NE2 3.44Å; E1157-Q1308 HydrophobicContact CG-CB 4.19Å; E1157-Q1308 HydrophobicContact CG-CG 4.48Å; S1207-Q1308 CarbonylContact C-O 3.56Å; S1207-Q1308 WeakPolarHBondContact CA-O 3.43Å; S1207-Q1308 WeakPolarHBondContact CB-O 3.26Å; L1208-Q1308 PolarHBondContact N-O 3.13Å; I1209-Q1308 PolarHBondContact N-O 3.43Å; I1209-Q1308 PolarHBondContact O-N 2.75Å

Retrieved 1,308 of 1,308 residues in 234.7 ms (Link to these results)