A0A077ZIN3_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZIN3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 245 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
1M46.3Very low41.2Very low243 Ų243169.8 Ų169.8100%1.19784%0.843SS**  0110.20-73.5-179.1153.900107.9
2S39.6Very low40.9Very low118 Ų118166.8 Ų166.883%0.82582%0.824SS**  trans-74.1119.6-172.531.90000111.4
3R41.6Very low41.4Very low242 Ų242160.8 Ų160.891%0.91381%0.806SS**  trans-76.9120.6169.5-79.9-179.5171170.7-2.8108.9
4V40.5Very low41.5Very low136 Ų136159.3 Ų159.382%0.82479%0.792SS**  trans-85106169.8179.20000106.8S6V4-S6 PolarHBondContact O-N 3.37Å
5E41.1Very low41.9Very low165 Ų165154.1 Ų154.177%0.77177%0.765SS**  trans-77.2106.8169.9-75-176.4162.100109.4R7E5-R7 PolarHBondContact O-N 3.45Å; E5-R7 VanDerWaalsContact O-N 3.14Å
6S40.2Very low42.3Very low107 Ų107149.3 Ų149.375%0.74874%0.735SS**  trans-7398.7167.345.90000109.1V4 I8V4-S6 PolarHBondContact O-N 3.37Å; S6-I8 PolarHBondContact O-N 3.3Å
7R41.7Very low42.6Very low219 Ų219142.4 Ų142.483%0.82670%0.702SS**  trans-66.4107.5169.7-68.5-180179.2180-1.2109.2E5 V9E5-R7 PolarHBondContact O-N 3.45Å; E5-R7 VanDerWaalsContact O-N 3.14Å; R7-V9 PolarHBondContact O-N 2.96Å
8I39.4Very low42.9Very low152 Ų152135.6 Ų135.678%0.77967%0.671SS**  trans-70.9104.9168.3-63.8170.5000107S6 K10S6-I8 PolarHBondContact O-N 3.3Å; I8-K10 PolarHBondContact O-N 2.79Å; I8-K10 VanDerWaalsContact O-N 3.12Å
9V40.9Very low43.3Very low127 Ų127128.9 Ų128.977%0.7764%0.638SS**  trans-69.3103172.7178.90000107.6R7 Q11R7-V9 PolarHBondContact O-N 2.96Å; V9-Q11 PolarHBondContact O-N 3.47Å; V9-Q11 VanDerWaalsContact O-N 3.12Å
10K40.6Very low43.4Very low177 Ų177124.5 Ų124.577%0.7762%0.615SS**  trans-63.1109.2169.7-70.5-178.5178.2178.70108.1I8 H12I8-K10 PolarHBondContact O-N 2.79Å; I8-K10 VanDerWaalsContact O-N 3.12Å; K10-H12 PolarHBondContact O-N 3.07Å
11Q41.3Very low43.6Very low182 Ų182119 Ų11985%0.8559%0.589SS**  trans-71.1113.2170.2-70-172.4-18.900108.4V9V9-Q11 PolarHBondContact O-N 3.47Å; V9-Q11 VanDerWaalsContact O-N 3.12Å
12H37.8Very low43.5Very low133 Ų133111.6 Ų111.662%0.61655%0.547SS*.  trans-73.8134.6173.4-76.7-92.9000110.2K10 F14K10-H12 PolarHBondContact O-N 3.07Å; H12-F14 PolarHBondContact O-N 3.16Å; H12-F14 VanDerWaalsContact O-N 3.11Å
13P46.9Very low43.6Very low90 Ų90106.4 Ų106.458%0.58451%0.511SS*.  trans-79.791.3178.232.4-32.8000110.5Q15P13-Q15 PolarHBondContact O-N 2.86Å; P13-Q15 VanDerWaalsContact O-N 3.12Å
14F43.2Very low43.6Very low139 Ų13997.4 Ų97.461%0.6149%0.485SS*.  trans-51.8118.7170.6-65.3-80.3000110.9H12 Y16H12-F14 PolarHBondContact O-N 3.16Å; H12-F14 VanDerWaalsContact O-N 3.11Å; F14-Y16 HydrophobicContact CB-CD2 4.27Å; F14-Y16 HydrophobicContact CB-CE1 4.47Å; F14-Y16 HydrophobicContact CB-CE2 3.48Å; F14-Y16 VanDerWaalsContact CB-CE2 3.48Å; F14-Y16 VanDerWaalsContact O-CD2 3.27Å; F14-Y16 WeakPolarHBondContact O-CD2 3.09Å; F14-Y16 WeakPolarHBondContact O-CE2 3.08Å
15Q47.8Very low43.6Very low82 Ų8295.6 Ų95.638%0.38347%0.466SS..  trans-90.9110.4175.8-59-148.8-8.600110.1P13P13-Q15 PolarHBondContact O-N 2.86Å; P13-Q15 VanDerWaalsContact O-N 3.12Å
16Y48.1Very low43.9Very low76 Ų7698.4 Ų98.430%0.29847%0.47SS..EExtended strand (participates in β ladder)trans-92.6141.4-178.6-62.4-85.1000111.4F14 Q53F14-Y16 HydrophobicContact CB-CD2 4.27Å; F14-Y16 HydrophobicContact CB-CE1 4.47Å; F14-Y16 HydrophobicContact CB-CE2 3.48Å; F14-Y16 VanDerWaalsContact CB-CE2 3.48Å; F14-Y16 VanDerWaalsContact O-CD2 3.27Å; F14-Y16 WeakPolarHBondContact O-CD2 3.09Å; F14-Y16 WeakPolarHBondContact O-CE2 3.08Å; Y16-Q53 HydrophobicContact CD1-CB 4.08Å; Y16-Q53 HydrophobicContact CD1-CG 3.7Å; Y16-Q53 HydrophobicContact CE1-CB 4.12Å; Y16-Q53 HydrophobicContact CE1-CG 3.57Å
17L48.1Very low43.9Very low32 Ų3297.8 Ų97.817%0.16847%0.466CS..EExtended strand (participates in β ladder)trans-90.9118.8166.6-164.687.3000107.9V19 C51 V52 V54 V60 A65L17-V19 HydrophobicContact CD2-CG2 3.97Å; L17-V19 HydrophobicContact CG-CG2 4.46Å; L17-C51 CarbonylContact O-C 3.5Å; L17-C51 WeakPolarHBondContact O-CA 3.33Å; L17-V52 HydrophobicContact CB-CB 4.45Å; L17-V52 WeakPolarHBondContact CB-O 3.39Å; L17-V52 PolarHBondContact N-O 2.76Å; L17-V52 PolarHBondContact O-N 2.8Å; L17-V54 HydrophobicContact CB-CG2 3.91Å; L17-V60 HydrophobicContact CD1-CG1 3.96Å; L17-A65 HydrophobicContact CD1-CB 4.27Å; L17-A65 HydrophobicContact CD2-CB 4.36Å
18S47.1Very low44.1Very low20 Ų2092.9 Ų92.914%0.1447%0.465CS..EExtended strand (participates in β ladder)trans-94.9114.5177.661.50000110.2
19V50Low44.1Very low9 Ų988.2 Ų88.26%0.05545%0.454CS..EExtended strand (participates in β ladder)trans-107.1127.9176.1-171.50000108.5L17 L21 C49 V50 V52 V84L17-V19 HydrophobicContact CD2-CG2 3.97Å; L17-V19 HydrophobicContact CG-CG2 4.46Å; V19-L21 HydrophobicContact CB-CD1 4.33Å; V19-L21 HydrophobicContact CG1-CD1 3.92Å; V19-C49 CarbonylContact O-C 3.58Å; V19-V50 CarbonylContact C-O 3.33Å; V19-V50 WeakPolarHBondContact CA-O 3.49Å; V19-V50 WeakPolarHBondContact CB-O 3.02Å; V19-V50 PolarHBondContact N-O 3.37Å; V19-V50 CarbonylContact O-C 3.53Å; V19-V50 PolarHBondContact O-N 2.86Å; V19-V52 HydrophobicContact CG2-CG2 3.89Å; V19-V84 HydrophobicContact CG1-CB 4.21Å; V19-V84 HydrophobicContact CG1-CG1 3.26Å; V19-V84 HydrophobicContact CG1-CG2 4.05Å
20F46.8Very low44.2Very low40 Ų4086.6 Ų86.618%0.17545%0.454CS..EExtended strand (participates in β ladder)trans-93.3128.7173.8-77.4-105.6000108.4C49 V84 E85 K92 K100F20-C49 HydrophobicContact CD1-CB 4.02Å; F20-C49 WeakPolarHBondContact CD1-SG 3.32Å; F20-C49 HydrophobicContact CE1-CB 4.11Å; F20-C49 WeakPolarHBondContact CE1-SG 3.39Å; F20-C49 HydrophobicContact CG-CB 4.41Å; F20-V84 WeakPolarHBondContact O-CA 3.43Å; F20-E85 PolarHBondContact O-N 3.13Å; F20-K92 HydrophobicContact CZ-CD 3.93Å; F20-K100 HydrophobicContact CE1-CD 4.44Å
21L46.5Very low44.4Very low11 Ų1190 Ų906%0.05846%0.462CS..EExtended strand (participates in β ladder)trans-10796.7178.1-8568.1000108.9V19 C47 V48 V50 L82 E83 V84V19-L21 HydrophobicContact CB-CD1 4.33Å; V19-L21 HydrophobicContact CG1-CD1 3.92Å; L21-C47 CarbonylContact O-C 3.22Å; L21-V48 CarbonylContact C-O 3.42Å; L21-V48 VanDerWaalsContact C-O 3.22Å; L21-V48 WeakPolarHBondContact CA-O 3.45Å; L21-V48 HydrophobicContact CB-CB 4.17Å; L21-V48 PolarHBondContact N-O 3.03Å; L21-V48 CarbonylContact O-C 3.6Å; L21-V48 WeakPolarHBondContact O-CA 3.46Å; L21-V48 PolarHBondContact O-N 3.45Å; L21-V50 HydrophobicContact CD1-CB 3.78Å; L21-V50 HydrophobicContact CD1-CG2 3.85Å; L21-V50 HydrophobicContact CD2-CB 4.4Å; L21-V50 HydrophobicContact CD2-CG2 3.66Å; L21-V50 HydrophobicContact CG-CG2 4.35Å; L21-L82 HydrophobicContact CB-CD2 4.19Å; L21-L82 HydrophobicContact CD2-CB 4.46Å; L21-L82 HydrophobicContact CD2-CD1 3.41Å; L21-L82 VanDerWaalsContact CD2-CD1 3.41Å; L21-L82 HydrophobicContact CD2-CD2 3.54Å; L21-L82 HydrophobicContact CD2-CG 3.95Å; L21-L82 HydrophobicContact CG-CB 4.45Å; L21-L82 HydrophobicContact CG-CD1 4.18Å; L21-L82 HydrophobicContact CG-CD2 4.07Å; L21-L82 HydrophobicContact CG-CG 4.45Å; L21-E83 CarbonylContact C-O 3.6Å; L21-E83 WeakPolarHBondContact CA-O 3.19Å; L21-V84 HydrophobicContact CD1-CG2 4.44Å; L21-V84 HydrophobicContact CG-CG2 4.47Å
22R44.5Very low44.7Very low87 Ų8790.8 Ų90.833%0.32846%0.463SS..EExtended strand (participates in β ladder)trans-72.6134.5169.1-123.6179.5163.3156.6-14.9109.4D45 C47 E83 E85R22-D45 IonicContact CZ-OD2 3.62Å; R22-D45 IonicContact NE-OD2 3.76Å; R22-D45 IonicContact NH2-OD2 2.74Å; R22-D45 PolarHBondContact NH2-OD2 3.09Å; R22-C47 HydrophobicContact CG-CB 4.05Å; R22-C47 WeakPolarHBondContact CG-SG 3.42Å; R22-E83 HydrophobicContact CB-CB 3.79Å; R22-E83 HydrophobicContact CB-CG 4.16Å; R22-E83 WeakPolarHBondContact CB-OE2 3.43Å; R22-E83 PolarHBondContact N-O 3.42Å; R22-E83 WeakPolarHBondContact O-CB 3.33Å; R22-E83 PolarHBondContact O-N 2.97Å; R22-E85 IonicContact NH1-OE1 3.94Å
23S42.3Very low44.9Very low8 Ų895.4 Ų95.46%0.05648%0.475CS..EExtended strand (participates in β ladder)trans-114.5103169.9-176.10000108.2F25 K46 N80S23-F25 PolarHBondContact O-N 3.43Å; S23-K46 CarbonylContact C-O 3.49Å; S23-K46 VanDerWaalsContact CA-O 3.22Å; S23-K46 WeakPolarHBondContact CA-O 3.13Å; S23-K46 WeakPolarHBondContact CB-O 3.27Å; S23-K46 PolarHBondContact N-O 2.88Å; S23-K46 PolarHBondContact O-N 2.82Å; S23-K46 VanDerWaalsContact O-O 3.05Å; S23-N80 WeakPolarHBondContact OG-CB 3.33Å
24S41.5Very low45Very low54 Ų5499.7 Ų99.738%0.37849%0.487SS..  trans-84.1109.4174.4-68.90000108.4R26S24-R26 VanDerWaalsContact C-N 3.3Å; S24-R26 PolarHBondContact O-N 2.86Å
25F40.8Very low44.9Very low97 Ų9798.9 Ų98.943%0.42550%0.498SS..  trans-72.984.9179.6-152-97.2000109.1S23 S27 L43S23-F25 PolarHBondContact O-N 3.43Å; F25-S27 VanDerWaalsContact C-N 3.26Å; F25-S27 PolarHBondContact O-N 3.38Å; F25-L43 HydrophobicContact CD1-CD1 4.3Å
26R45.8Very low44.5Very low224 Ų22498.5 Ų98.585%0.84552%0.516SS*.  trans-67.492.7166.9-80.8-174.6167.8-162.7-1.7107.7S24 S28S24-R26 VanDerWaalsContact C-N 3.3Å; S24-R26 PolarHBondContact O-N 2.86Å; R26-S28 VanDerWaalsContact C-N 3.25Å; R26-S28 PolarHBondContact O-N 3.47Å
27S41.1Very low44Very low95 Ų9599.3 Ų99.366%0.66455%0.548SS*.  trans-56.792.9164.2158.10000107.9F25 G29F25-S27 VanDerWaalsContact C-N 3.26Å; F25-S27 PolarHBondContact O-N 3.38Å; S27-G29 PolarHBondContact O-N 2.74Å
28S44.8Very low43.6Very low115 Ų115102 Ų10280%0.80458%0.575SS**  trans-66.380162.956.30000107R26 A30R26-S28 VanDerWaalsContact C-N 3.25Å; R26-S28 PolarHBondContact O-N 3.47Å; S28-A30 VanDerWaalsContact C-N 3.26Å; S28-A30 PolarHBondContact O-N 2.93Å
29G39.6Very low43.5Very low54 Ų54112.5 Ų112.556%0.55761%0.611SS**  trans-67.386.4176.900000109.2S27 R31S27-G29 PolarHBondContact O-N 2.74Å; G29-R31 PolarHBondContact O-N 3.37Å
30A43.6Very low43Very low93 Ų93121.4 Ų121.477%0.76965%0.652SS**  trans-57.4104.5160.900000107.5S28 K32S28-A30 VanDerWaalsContact C-N 3.26Å; S28-A30 PolarHBondContact O-N 2.93Å; A30-K32 PolarHBondContact O-N 3.16Å
31R45.6Very low42.8Very low249 Ų249125.2 Ų125.294%0.9468%0.679SS**  trans-64.881.4178-72.2-178.4173.5-165.2-1.1109.8G29G29-R31 PolarHBondContact O-N 3.37Å
32K46.9Very low42.4Very low198 Ų198131.6 Ų131.686%0.86171%0.708SS**  trans-94.8102.9164.6-152.3165.9-173.6173.30108.3A30 Q34A30-K32 PolarHBondContact O-N 3.16Å; K32-Q34 PolarHBondContact O-N 2.93Å
33R41.9Very low42.5Very low230 Ų230132.3 Ų132.387%0.86872%0.718SS**  trans-42.8126.2168-68.7172.2145.1-174.5-6.9109.7
34Q48.2Very low42.7Very low181 Ų181138.9 Ų138.985%0.84675%0.746SS**  trans175114135.3-95.4165.116.100110.5K32K32-Q34 PolarHBondContact O-N 2.93Å
35S42.3Very low43.1Very low121 Ų121140 Ų14085%0.84675%0.747SS**  trans23.3114.7142.157.60000118.4
36G39.7Very low43.7Very low74 Ų74140.3 Ų140.376%0.76375%0.749SS**SBendtrans132.1119157.100000112.7A38G36-A38 PolarHBondContact O-N 3.06Å
37G36.9Very low43.9Very low94 Ų94132.5 Ų132.597%0.96973%0.727SS**  trans-41.8118.9-169.800000116
38A39.9Very low44.4Very low88 Ų88131.2 Ų131.273%0.72772%0.715SS**  trans-127.2116164.700000107.7G36 Q40G36-A38 PolarHBondContact O-N 3.06Å; A38-Q40 PolarHBondContact O-N 3.44Å; A38-Q40 VanDerWaalsContact O-N 3.16Å
39R45.1Very low44.6Very low240 Ų240126.7 Ų126.791%0.90668%0.684SS**  trans-56.9116.2169.5-68.4176.6173-178.4-4.3107.5V41R39-V41 PolarHBondContact O-N 2.73Å; R39-V41 VanDerWaalsContact O-N 3.07Å
40Q39.1Very low45.2Very low196 Ų196127 Ų12792%0.91667%0.674SS**  trans-63.1107.3166.5-81.4-178.1-19.800107.4A38A38-Q40 PolarHBondContact O-N 3.44Å; A38-Q40 VanDerWaalsContact O-N 3.16Å
41V42Very low45.4Very low120 Ų120124.6 Ų124.673%0.72765%0.652SS**  trans-92.4105.6167.2-177.10000105.9R39 L43R39-V41 PolarHBondContact O-N 2.73Å; R39-V41 VanDerWaalsContact O-N 3.07Å; V41-L43 PolarHBondContact O-N 2.95Å; V41-L43 VanDerWaalsContact O-N 3.09Å
42E39.3Very low45.8Very low145 Ų145115.1 Ų115.168%0.67862%0.622SS**  trans-58.8104.5173.9-165.4-174.817200109K44E42-K44 VanDerWaalsContact C-N 3.32Å; E42-K44 HydrophobicContact CG-CG 4.13Å; E42-K44 PolarHBondContact O-N 2.93Å; E42-K44 WeakPolarHBondContact OE1-CE 3.12Å; E42-K44 IonicContact OE1-NZ 3.79Å; E42-K44 WeakPolarHBondContact OE2-CE 3.22Å; E42-K44 IonicContact OE2-NZ 3.47Å; E42-K44 PolarHBondContact OE2-NZ 3.06Å
43L45.8Very low45.8Very low102 Ų102112.2 Ų112.253%0.53461%0.611SS.*  trans-76.785.9174.4-85.9151.2000108.3F25 V41 D45F25-L43 HydrophobicContact CD1-CD1 4.3Å; V41-L43 PolarHBondContact O-N 2.95Å; V41-L43 VanDerWaalsContact O-N 3.09Å; L43-D45 PolarHBondContact O-N 2.62Å
44K46.7Very low46.3Very low146 Ų146103.5 Ų103.564%0.63558%0.583SS**  trans-69.4119.7172-63.2-177.2179.3-177.80109E42E42-K44 VanDerWaalsContact C-N 3.32Å; E42-K44 HydrophobicContact CG-CG 4.13Å; E42-K44 PolarHBondContact O-N 2.93Å; E42-K44 WeakPolarHBondContact OE1-CE 3.12Å; E42-K44 IonicContact OE1-NZ 3.79Å; E42-K44 WeakPolarHBondContact OE2-CE 3.22Å; E42-K44 IonicContact OE2-NZ 3.47Å; E42-K44 PolarHBondContact OE2-NZ 3.06Å
45D50.7Low46.2Very low78 Ų78103.4 Ų103.442%0.41758%0.583SS.*  trans27111159.6-45.9-20.7000117.6R22 L43R22-D45 IonicContact CZ-OD2 3.62Å; R22-D45 IonicContact NE-OD2 3.76Å; R22-D45 IonicContact NH2-OD2 2.74Å; R22-D45 PolarHBondContact NH2-OD2 3.09Å; L43-D45 PolarHBondContact O-N 2.62Å
46K53.8Low46.3Very low104 Ų104102.3 Ų102.345%0.45256%0.564SS.*EExtended strand (participates in β ladder)trans-96.3105.4171.9-67.6175.8-176.7167.80109.1S23S23-K46 CarbonylContact C-O 3.49Å; S23-K46 VanDerWaalsContact CA-O 3.22Å; S23-K46 WeakPolarHBondContact CA-O 3.13Å; S23-K46 WeakPolarHBondContact CB-O 3.27Å; S23-K46 PolarHBondContact N-O 2.88Å; S23-K46 PolarHBondContact O-N 2.82Å; S23-K46 VanDerWaalsContact O-O 3.05Å
47C49.6Very low46.9Very low59 Ų59107.9 Ų107.940%0.39957%0.568SS.*EExtended strand (participates in β ladder)trans-91.5126.1176.5-39.30000111.3L21 R22L21-C47 CarbonylContact O-C 3.22Å; R22-C47 HydrophobicContact CG-CB 4.05Å; R22-C47 WeakPolarHBondContact CG-SG 3.42Å
48V51.9Low47.5Very low68 Ų68109.6 Ų109.641%0.41256%0.555SS.*EExtended strand (participates in β ladder)trans-98.6161.6163.3-175.40000108.4L21 V50 Y101L21-V48 CarbonylContact C-O 3.42Å; L21-V48 VanDerWaalsContact C-O 3.22Å; L21-V48 WeakPolarHBondContact CA-O 3.45Å; L21-V48 HydrophobicContact CB-CB 4.17Å; L21-V48 PolarHBondContact N-O 3.03Å; L21-V48 CarbonylContact O-C 3.6Å; L21-V48 WeakPolarHBondContact O-CA 3.46Å; L21-V48 PolarHBondContact O-N 3.45Å; V48-V50 HydrophobicContact CG1-CG2 4.34Å; V48-Y101 WeakPolarHBondContact CA-OH 3.03Å
49C48Very low48.1Very low21 Ų21114.2 Ų114.214%0.14256%0.558CS.*EExtended strand (participates in β ladder)trans-142.4121.7-178.4-49.70000105.1V19 F20 M97 Y101V19-C49 CarbonylContact O-C 3.58Å; F20-C49 HydrophobicContact CD1-CB 4.02Å; F20-C49 WeakPolarHBondContact CD1-SG 3.32Å; F20-C49 HydrophobicContact CE1-CB 4.11Å; F20-C49 WeakPolarHBondContact CE1-SG 3.39Å; F20-C49 HydrophobicContact CG-CB 4.41Å; C49-M97 HydrophobicContact CB-CE 3.75Å; C49-Y101 WeakPolarHBondContact CA-OH 3.45Å; C49-Y101 HydrophobicContact CB-CE2 4.2Å; C49-Y101 VanDerWaalsContact CB-OH 3.26Å; C49-Y101 WeakPolarHBondContact CB-OH 3.45Å; C49-Y101 PolarHBondContact N-OH 3.11Å; C49-Y101 PolarHBondContact SG-OH 2.86Å
50V52.7Low48.7Very low59 Ų59106 Ų10636%0.35853%0.534SS..EExtended strand (participates in β ladder)trans-116.2120.2-179.5178.70000107.2V19 L21 V48 V52V19-V50 CarbonylContact C-O 3.33Å; V19-V50 WeakPolarHBondContact CA-O 3.49Å; V19-V50 WeakPolarHBondContact CB-O 3.02Å; V19-V50 PolarHBondContact N-O 3.37Å; V19-V50 CarbonylContact O-C 3.53Å; V19-V50 PolarHBondContact O-N 2.86Å; L21-V50 HydrophobicContact CD1-CB 3.78Å; L21-V50 HydrophobicContact CD1-CG2 3.85Å; L21-V50 HydrophobicContact CD2-CB 4.4Å; L21-V50 HydrophobicContact CD2-CG2 3.66Å; L21-V50 HydrophobicContact CG-CG2 4.35Å; V48-V50 HydrophobicContact CG1-CG2 4.34Å; V50-V52 PolarHBondContact O-N 2.96Å
51C46.9Very low49.6Very low43 Ų43100.1 Ų100.129%0.29151%0.51SS..EExtended strand (participates in β ladder)trans-76.8121.5164.7-92.90000108.6L17 M97L17-C51 CarbonylContact O-C 3.5Å; L17-C51 WeakPolarHBondContact O-CA 3.33Å; C51-M97 HydrophobicContact CB-CE 4.36Å; C51-M97 HydrophobicContact CB-SD 4.48Å; C51-M97 VanDerWaalsContact SG-CE 3.51Å; C51-M97 PolarHBondContact SG-SD 3.37Å
52V55Low50.8Low51 Ų51100.5 Ų100.531%0.30951%0.506SS..EExtended strand (participates in β ladder)trans-87.6117.7164.1-178.60000106.6L17 V19 V50 V54L17-V52 HydrophobicContact CB-CB 4.45Å; L17-V52 WeakPolarHBondContact CB-O 3.39Å; L17-V52 PolarHBondContact N-O 2.76Å; L17-V52 PolarHBondContact O-N 2.8Å; V19-V52 HydrophobicContact CG2-CG2 3.89Å; V50-V52 PolarHBondContact O-N 2.96Å; V52-V54 HydrophobicContact CG1-CG2 4.28Å; V52-V54 PolarHBondContact O-N 3.42Å
53Q45.9Very low52.2Low136 Ų136102.4 Ų102.464%0.63651%0.507SS*.EExtended strand (participates in β ladder)trans-77.1108.3171.7-48.7-165.7-13.200107.2Y16Y16-Q53 HydrophobicContact CD1-CB 4.08Å; Y16-Q53 HydrophobicContact CD1-CG 3.7Å; Y16-Q53 HydrophobicContact CE1-CB 4.12Å; Y16-Q53 HydrophobicContact CE1-CG 3.57Å
54V52.1Low53.2Low47 Ų47100.7 Ų100.729%0.28550%0.498SS..  trans-91.8117.1168.8-178.10000106L17 V52 E56L17-V54 HydrophobicContact CB-CG2 3.91Å; V52-V54 HydrophobicContact CG1-CG2 4.28Å; V52-V54 PolarHBondContact O-N 3.42Å; V54-E56 PolarHBondContact O-N 3.1Å
55Q46.4Very low54.1Low179 Ų17994.5 Ų94.584%0.83647%0.474SS*.  trans-68.9123.4178-72.5-170.940.500109K57Q55-K57 PolarHBondContact O-N 3.19Å; Q55-K57 VanDerWaalsContact O-N 3.07Å
56E45.7Very low55Low99 Ų9994.6 Ų94.646%0.46347%0.472SS..SBendtrans-57.1104-178.4-168.1176.5-156.300110.5V54V54-E56 PolarHBondContact O-N 3.1Å
57K51.3Low56.1Low191 Ų19194.2 Ų94.283%0.8348%0.475SS*.SBendtrans-151.3-22.8158.2-111.4172.9-171.2-176.60114.5Q55Q55-K57 PolarHBondContact O-N 3.19Å; Q55-K57 VanDerWaalsContact O-N 3.07Å
58D49.3Very low57Low130 Ų13092.3 Ų92.370%0.69546%0.463SS*.SBendtrans-126.7142.3173.5-63-58.1000109.6V60D58-V60 PolarHBondContact O-N 3.23Å
59K53.8Low58Low184 Ų18490.9 Ų90.980%0.845%0.454SS*.  trans-36.6125.9171.4-64.3166.2-178.9173.70108.1N61K59-N61 VanDerWaalsContact C-N 3.31Å; K59-N61 VanDerWaalsContact O-CG 3.28Å; K59-N61 PolarHBondContact O-N 3.38Å; K59-N61 PolarHBondContact O-OD1 3.49Å
60V56Low59.2Low67 Ų6798.4 Ų98.441%0.40648%0.48SS..  trans-51.4101.6176.8177.40000107.2L17 D58L17-V60 HydrophobicContact CD1-CG1 3.96Å; D58-V60 PolarHBondContact O-N 3.23Å
61N59.6Low60.2Low74 Ų7499.5 Ų99.540%0.39649%0.49SS..  trans-80.3133.7-176.1-75.3-42.1000105.9K59 R63 D64K59-N61 VanDerWaalsContact C-N 3.31Å; K59-N61 VanDerWaalsContact O-CG 3.28Å; K59-N61 PolarHBondContact O-N 3.38Å; K59-N61 PolarHBondContact O-OD1 3.49Å; N61-R63 HydrophobicContact CB-CB 4.22Å; N61-R63 PolarHBondContact O-N 2.83Å; N61-D64 PolarHBondContact O-N 3.16Å
62I66.3Low61.4Low128 Ų128100.3 Ų100.366%0.65649%0.492SS*.Hα-helixtrans-49.2-33.2171.4-61.6170.3000109.6D64 A65 E66I62-D64 PolarHBondContact O-N 3.33Å; I62-A65 PolarHBondContact O-N 2.76Å; I62-E66 HydrophobicContact CG2-CG 4.18Å; I62-E66 WeakPolarHBondContact CG2-OE1 3.48Å; I62-E66 WeakPolarHBondContact O-CG 3.47Å; I62-E66 PolarHBondContact O-N 3.35Å
63R68.3Low62.1Low185 Ų185100.2 Ų100.270%0.69849%0.489SS*.Hα-helixtrans-57-42.8172.9-64-171.5175.9-168.9-2114.9N61 A65 E66 D67N61-R63 HydrophobicContact CB-CB 4.22Å; N61-R63 PolarHBondContact O-N 2.83Å; R63-A65 PolarHBondContact O-N 3.31Å; R63-E66 PolarHBondContact O-N 2.73Å; R63-D67 WeakPolarHBondContact O-CB 3.04Å; R63-D67 VanDerWaalsContact O-CG 3.3Å; R63-D67 PolarHBondContact O-N 2.81Å
64D67.3Low63.1Low66 Ų66102.4 Ų102.435%0.35349%0.492SS..Hα-helixtrans-67-31.3-179.7-61-26.1000111N61 I62 A68N61-D64 PolarHBondContact O-N 3.16Å; I62-D64 PolarHBondContact O-N 3.33Å; D64-A68 WeakPolarHBondContact O-CB 3.28Å; D64-A68 PolarHBondContact O-N 3.17Å; D64-A68 VanDerWaalsContact O-N 3.13Å
65A65.2Low64.1Low15 Ų15103 Ų10312%0.12450%0.495CS..Hα-helixtrans-79.9-35.6176.900000111.9L17 I62 R63 L69 F86L17-A65 HydrophobicContact CD1-CB 4.27Å; L17-A65 HydrophobicContact CD2-CB 4.36Å; I62-A65 PolarHBondContact O-N 2.76Å; R63-A65 PolarHBondContact O-N 3.31Å; A65-L69 WeakPolarHBondContact O-CB 3.46Å; A65-L69 PolarHBondContact O-N 2.65Å; A65-F86 HydrophobicContact CB-CE1 3.69Å
66E70.9Confident65.1Low81 Ų81100 Ų10038%0.37949%0.485SS..Hα-helixtrans-64-46.1170.1-73.4172.2169.400111.2I62 R63 A68 L69 Y70 F86I62-E66 HydrophobicContact CG2-CG 4.18Å; I62-E66 WeakPolarHBondContact CG2-OE1 3.48Å; I62-E66 WeakPolarHBondContact O-CG 3.47Å; I62-E66 PolarHBondContact O-N 3.35Å; R63-E66 PolarHBondContact O-N 2.73Å; E66-A68 VanDerWaalsContact C-N 3.33Å; E66-A68 PolarHBondContact O-N 2.95Å; E66-L69 WeakPolarHBondContact O-CA 3.12Å; E66-L69 VanDerWaalsContact O-CB 3.32Å; E66-L69 WeakPolarHBondContact O-CB 3.21Å; E66-L69 PolarHBondContact O-N 2.65Å; E66-L69 VanDerWaalsContact O-N 3.11Å; E66-Y70 HydrophobicContact CB-CD2 4.47Å; E66-Y70 HydrophobicContact CB-CE2 4.32Å; E66-Y70 WeakPolarHBondContact O-CD2 3.32Å; E66-Y70 PolarHBondContact O-N 3.32Å; E66-F86 HydrophobicContact CG-CZ 4.41Å
67D74.9Confident65.9Low95 Ų95100.3 Ų100.351%0.50849%0.485SS..Hα-helixtrans-62.8-40.9178.2-76.8-6.1000111.4R63 Y70 S71R63-D67 WeakPolarHBondContact O-CB 3.04Å; R63-D67 VanDerWaalsContact O-CG 3.3Å; R63-D67 PolarHBondContact O-N 2.81Å; D67-Y70 PolarHBondContact O-N 3.45Å; D67-S71 WeakPolarHBondContact O-CB 3.34Å; D67-S71 PolarHBondContact O-N 2.67Å; D67-S71 PolarHBondContact O-OG 3.34Å
68A70.2Confident66.5Low19 Ų1999 Ų9916%0.15748%0.482CS..Hα-helixtrans-64.7-39.8173.400000111.9D64 E66 L72D64-A68 WeakPolarHBondContact O-CB 3.28Å; D64-A68 PolarHBondContact O-N 3.17Å; D64-A68 VanDerWaalsContact O-N 3.13Å; E66-A68 VanDerWaalsContact C-N 3.33Å; E66-A68 PolarHBondContact O-N 2.95Å; A68-L72 HydrophobicContact CB-CD1 4.43Å; A68-L72 WeakPolarHBondContact O-CB 3.17Å; A68-L72 WeakPolarHBondContact O-CG 3.13Å; A68-L72 PolarHBondContact O-N 3.28Å
69L72.5Confident67.4Low39 Ų3996.2 Ų96.220%0.20448%0.483CS..Hα-helixtrans-59.8-52.4174.1177.671.9000110.3A65 E66 S71 D73 V84 F86A65-L69 WeakPolarHBondContact O-CB 3.46Å; A65-L69 PolarHBondContact O-N 2.65Å; E66-L69 WeakPolarHBondContact O-CA 3.12Å; E66-L69 VanDerWaalsContact O-CB 3.32Å; E66-L69 WeakPolarHBondContact O-CB 3.21Å; E66-L69 PolarHBondContact O-N 2.65Å; E66-L69 VanDerWaalsContact O-N 3.11Å; L69-S71 VanDerWaalsContact C-N 3.35Å; L69-S71 PolarHBondContact O-N 3.06Å; L69-D73 WeakPolarHBondContact O-CB 3.04Å; L69-D73 PolarHBondContact O-N 3.45Å; L69-V84 HydrophobicContact CD1-CB 3.89Å; L69-V84 HydrophobicContact CD1-CG1 3.69Å; L69-V84 WeakPolarHBondContact CD1-O 3.5Å; L69-F86 HydrophobicContact CD2-CE2 3.71Å; L69-F86 HydrophobicContact CD2-CZ 4.14Å
70Y73.6Confident67.8Low179 Ų17989.9 Ų89.970%0.70246%0.458SS*.Hα-helixtrans-65.5-36.3-179.3-73.2-66.8000113.4E66 D67E66-Y70 HydrophobicContact CB-CD2 4.47Å; E66-Y70 HydrophobicContact CB-CE2 4.32Å; E66-Y70 WeakPolarHBondContact O-CD2 3.32Å; E66-Y70 PolarHBondContact O-N 3.32Å; D67-Y70 PolarHBondContact O-N 3.45Å
71S72.8Confident68.6Low81 Ų8190.7 Ų90.757%0.56646%0.46SS*.Hα-helixtrans-81.6-26.1-175.5-570000113.6D67 L69 V75D67-S71 WeakPolarHBondContact O-CB 3.34Å; D67-S71 PolarHBondContact O-N 2.67Å; D67-S71 PolarHBondContact O-OG 3.34Å; L69-S71 VanDerWaalsContact C-N 3.35Å; L69-S71 PolarHBondContact O-N 3.06Å; S71-V75 WeakPolarHBondContact O-CG2 3.16Å
72L72.4Confident69Low61 Ų6187.9 Ų87.932%0.31945%0.445SS..Hα-helixtrans-109-18.6-174.6-60.2174.7000113.4A68 R74 V75 V84A68-L72 HydrophobicContact CB-CD1 4.43Å; A68-L72 WeakPolarHBondContact O-CB 3.17Å; A68-L72 WeakPolarHBondContact O-CG 3.13Å; A68-L72 PolarHBondContact O-N 3.28Å; L72-R74 PolarHBondContact O-N 3.33Å; L72-V75 PolarHBondContact O-N 3.26Å; L72-V84 HydrophobicContact CB-CG2 3.92Å
73D70.1Confident69.1Low49 Ų4985.1 Ų85.126%0.26243%0.429SS..THydrogen-bonded Turntrans-66.2123.8174.9-171.147.2000110.5L69 V75L69-D73 WeakPolarHBondContact O-CB 3.04Å; L69-D73 PolarHBondContact O-N 3.45Å; D73-V75 PolarHBondContact O-N 2.7Å
74R66.3Low69.1Low181 Ų18177 Ų7768%0.68340%0.4SS*.THydrogen-bonded Turntrans66.315.5-175.2-51.2168-69.1-143-0.9115.2L72 N76 L82L72-R74 PolarHBondContact O-N 3.33Å; R74-N76 PolarHBondContact O-N 2.87Å; R74-N76 PolarHBondContact O-OD1 2.73Å; R74-L82 WeakPolarHBondContact CA-O 3.26Å; R74-L82 PolarHBondContact N-O 3.24Å
75V73.2Confident69.3Low60 Ų6078 Ų7836%0.36440%0.403SS..  trans-68.2132.3165.8172.40000109S71 L72 D73 F77 L82S71-V75 WeakPolarHBondContact O-CG2 3.16Å; L72-V75 PolarHBondContact O-N 3.26Å; D73-V75 PolarHBondContact O-N 2.7Å; V75-F77 PolarHBondContact O-N 2.86Å; V75-L82 WeakPolarHBondContact O-CB 3.46Å; V75-L82 VanDerWaalsContact O-CG 3.28Å; V75-L82 WeakPolarHBondContact O-CG 3.2Å; V75-L82 PolarHBondContact O-N 3.32Å; V75-L82 VanDerWaalsContact O-N 3.1Å
76N66.8Low69.5Low116 Ų11682.9 Ų82.962%0.6242%0.421SS*.EExtended strand (participates in β ladder)trans-75.9107.9177.7-66.234.1000109.5R74 N80 D81R74-N76 PolarHBondContact O-N 2.87Å; R74-N76 PolarHBondContact O-OD1 2.73Å; N76-N80 CarbonylContact C-O 3.46Å; N76-N80 WeakPolarHBondContact CA-O 3.33Å; N76-D81 PolarHBondContact OD1-OD1 3.11Å
77F63.4Low69.4Low106 Ų10681 Ų8147%0.46542%0.42SS..EExtended strand (participates in β ladder)trans-110.9118.7174.9-170.4-99.1000109.9V75 G79 N80 L82V75-F77 PolarHBondContact O-N 2.86Å; F77-G79 PolarHBondContact O-N 3.01Å; F77-G79 VanDerWaalsContact O-N 3.16Å; F77-N80 PolarHBondContact N-O 2.77Å; F77-N80 PolarHBondContact O-N 3.48Å; F77-L82 HydrophobicContact CB-CD1 3.49Å; F77-L82 VanDerWaalsContact CB-CD1 3.49Å; F77-L82 HydrophobicContact CB-CD2 3.63Å; F77-L82 HydrophobicContact CB-CG 3.53Å; F77-L82 HydrophobicContact CD1-CD2 4.48Å; F77-L82 HydrophobicContact CG-CD1 4.13Å; F77-L82 HydrophobicContact CG-CD2 4.37Å
78H64.1Low69Low164 Ų16486.8 Ų86.876%0.75944%0.441SS*.THydrogen-bonded Turntrans54.135.4179.6-70.8-137.3000113.3N80H78-N80 PolarHBondContact O-ND2 3.21Å
79G68.9Low69.1Low70 Ų7088.9 Ų88.972%0.72246%0.464SS*.THydrogen-bonded Turntrans79.613.6178.900000115F77F77-G79 PolarHBondContact O-N 3.01Å; F77-G79 VanDerWaalsContact O-N 3.16Å
80N61Low68.9Low52 Ų5294.9 Ų94.928%0.27850%0.496SS..EExtended strand (participates in β ladder)trans-126.6146.4171.4-42.8-76.4000110.3S23 N76 F77 H78S23-N80 WeakPolarHBondContact OG-CB 3.33Å; N76-N80 CarbonylContact C-O 3.46Å; N76-N80 WeakPolarHBondContact CA-O 3.33Å; F77-N80 PolarHBondContact N-O 2.77Å; F77-N80 PolarHBondContact O-N 3.48Å; H78-N80 PolarHBondContact O-ND2 3.21Å
81D73.1Confident68.5Low83 Ų8392.2 Ų92.244%0.44449%0.485SS..EExtended strand (participates in β ladder)trans-71.7134.3173.3-52-19.3000108.5N76N76-D81 PolarHBondContact OD1-OD1 3.11Å
82L67.3Low68.3Low15 Ų1590.3 Ų90.38%0.07947%0.466CS..  trans-86.7134.4174.5-64.7-175.9000110.5L21 R74 V75 F77L21-L82 HydrophobicContact CB-CD2 4.19Å; L21-L82 HydrophobicContact CD2-CB 4.46Å; L21-L82 HydrophobicContact CD2-CD1 3.41Å; L21-L82 VanDerWaalsContact CD2-CD1 3.41Å; L21-L82 HydrophobicContact CD2-CD2 3.54Å; L21-L82 HydrophobicContact CD2-CG 3.95Å; L21-L82 HydrophobicContact CG-CB 4.45Å; L21-L82 HydrophobicContact CG-CD1 4.18Å; L21-L82 HydrophobicContact CG-CD2 4.07Å; L21-L82 HydrophobicContact CG-CG 4.45Å; R74-L82 WeakPolarHBondContact CA-O 3.26Å; R74-L82 PolarHBondContact N-O 3.24Å; V75-L82 WeakPolarHBondContact O-CB 3.46Å; V75-L82 VanDerWaalsContact O-CG 3.28Å; V75-L82 WeakPolarHBondContact O-CG 3.2Å; V75-L82 PolarHBondContact O-N 3.32Å; V75-L82 VanDerWaalsContact O-N 3.1Å; F77-L82 HydrophobicContact CB-CD1 3.49Å; F77-L82 VanDerWaalsContact CB-CD1 3.49Å; F77-L82 HydrophobicContact CB-CD2 3.63Å; F77-L82 HydrophobicContact CB-CG 3.53Å; F77-L82 HydrophobicContact CD1-CD2 4.48Å; F77-L82 HydrophobicContact CG-CD1 4.13Å; F77-L82 HydrophobicContact CG-CD2 4.37Å
83E68.4Low67.8Low71 Ų7190.8 Ų90.833%0.33247%0.472SS..EExtended strand (participates in β ladder)trans-112120.8169.4178.1177.5-16600108.3L21 R22L21-E83 CarbonylContact C-O 3.6Å; L21-E83 WeakPolarHBondContact CA-O 3.19Å; R22-E83 HydrophobicContact CB-CB 3.79Å; R22-E83 HydrophobicContact CB-CG 4.16Å; R22-E83 WeakPolarHBondContact CB-OE2 3.43Å; R22-E83 PolarHBondContact N-O 3.42Å; R22-E83 WeakPolarHBondContact O-CB 3.33Å; R22-E83 PolarHBondContact O-N 2.97Å
84V69.2Low67.6Low15 Ų1591.5 Ų91.59%0.09148%0.479CS..EExtended strand (participates in β ladder)trans-104.3127.2-176.6171.60000110.3V19 F20 L21 L69 L72V19-V84 HydrophobicContact CG1-CB 4.21Å; V19-V84 HydrophobicContact CG1-CG1 3.26Å; V19-V84 HydrophobicContact CG1-CG2 4.05Å; F20-V84 WeakPolarHBondContact O-CA 3.43Å; L21-V84 HydrophobicContact CD1-CG2 4.44Å; L21-V84 HydrophobicContact CG-CG2 4.47Å; L69-V84 HydrophobicContact CD1-CB 3.89Å; L69-V84 HydrophobicContact CD1-CG1 3.69Å; L69-V84 WeakPolarHBondContact CD1-O 3.5Å; L72-V84 HydrophobicContact CB-CG2 3.92Å
85E71.6Confident67.6Low87 Ų8785.3 Ų85.341%0.40747%0.472SS..EExtended strand (participates in β ladder)trans-123.6145.6176.3-68.8-179.2-165.100111.9F20 R22F20-E85 PolarHBondContact O-N 3.13Å; R22-E85 IonicContact NH1-OE1 3.94Å
86F68.6Low67.2Low116 Ų11687 Ų8751%0.50948%0.476SS..  trans-66.7135.4167-70.6-72.9000110.9A65 E66 L69 K88A65-F86 HydrophobicContact CB-CE1 3.69Å; E66-F86 HydrophobicContact CG-CZ 4.41Å; L69-F86 HydrophobicContact CD2-CE2 3.71Å; L69-F86 HydrophobicContact CD2-CZ 4.14Å; F86-K88 PolarHBondContact O-N 2.87Å
87A68.7Low67.1Low43 Ų4382.3 Ų82.336%0.35545%0.45SS..  trans-65.7127.8170.500000109.9G89A87-G89 PolarHBondContact O-N 2.99Å
88K67.6Low67.1Low216 Ų21685.6 Ų85.694%0.93946%0.46SS*.SBendtrans-78.996.2171.1-63.3-176.8-177.6-178.50108.9F86F86-K88 PolarHBondContact O-N 2.87Å
89G72.1Confident66.8Low62 Ų6281.1 Ų81.164%0.63945%0.447SS*.SBendtrans113.1-161.5173.200000114.8A87A87-G89 PolarHBondContact O-N 2.99Å
90D68.5Low66.3Low165 Ų16584.1 Ų84.188%0.88244%0.44SS*.SBendtrans-65.4156.9-174.8-72.6-31000113.6K92D90-K92 PolarHBondContact O-N 2.94Å
91R64.6Low66Low124 Ų12485.4 Ų85.447%0.46844%0.442SS..PPolyproline II helixtrans-52.9123.1-178-65.5-177.5175.7121.4-1.6111.3T93R91-T93 PolarHBondContact O-N 3.47Å
92K68.4Low65Low40 Ų4087.9 Ų87.917%0.17446%0.455CS..PPolyproline II helixtrans-74.9121.2170.5-159.3175.3-163.8-138.90109.5F20 D90 E96 M97F20-K92 HydrophobicContact CZ-CD 3.93Å; D90-K92 PolarHBondContact O-N 2.94Å; K92-E96 HydrophobicContact CD-CB 4.31Å; K92-E96 VanDerWaalsContact CE-C 3.45Å; K92-E96 WeakPolarHBondContact CE-O 3.34Å; K92-E96 HydrophobicContact CG-CB 3.5Å; K92-E96 PolarHBondContact NZ-O 2.81Å; K92-M97 HydrophobicContact CB-CG 4.09Å; K92-M97 HydrophobicContact CD-CG 3.82Å; K92-M97 HydrophobicContact CG-CG 3.93Å
93T62.9Low64Low72 Ų7290.4 Ų90.444%0.44248%0.484SS..PPolyproline II helixtrans-63.9152.4175.261.90000110.4R91 G95 E96 M97R91-T93 PolarHBondContact O-N 3.47Å; T93-G95 PolarHBondContact O-N 3.24Å; T93-G95 VanDerWaalsContact O-N 3.11Å; T93-E96 WeakPolarHBondContact CB-OE2 3.49Å; T93-E96 PolarHBondContact N-OE2 2.83Å; T93-E96 CarbonylContact O-C 3.6Å; T93-E96 WeakPolarHBondContact O-CA 3.05Å; T93-E96 WeakPolarHBondContact O-CB 3.31Å; T93-E96 PolarHBondContact O-N 3.05Å; T93-E96 WeakPolarHBondContact OG1-CB 3.48Å; T93-E96 WeakPolarHBondContact OG1-CG 3.49Å; T93-E96 PolarHBondContact OG1-N 2.84Å; T93-E96 PolarHBondContact OG1-OE2 3.35Å; T93-M97 PolarHBondContact O-N 3.47Å
94P66Low63.1Low64 Ų6492.3 Ų92.342%0.41650%0.496SS..Hα-helixtrans-54.7-32.3176.9-2835.2000113.6M97 R98P94-M97 PolarHBondContact O-N 3.09Å; P94-R98 VanDerWaalsContact O-CG 3.23Å; P94-R98 WeakPolarHBondContact O-CG 3.17Å; P94-R98 PolarHBondContact O-N 3.32Å; P94-R98 VanDerWaalsContact O-N 3.09Å
95G64.5Low61.9Low51 Ų5196.6 Ų96.653%0.52652%0.524SS..Hα-helixtrans-63.1-46.2173.200000112.1T93 R98 S99T93-G95 PolarHBondContact O-N 3.24Å; T93-G95 VanDerWaalsContact O-N 3.11Å; G95-R98 PolarHBondContact O-N 3.32Å; G95-S99 PolarHBondContact O-N 2.78Å
96E66Low60.6Low95 Ų95103.8 Ų103.844%0.44455%0.547SS..Hα-helixtrans-68.5-33.9175-68.2164.5151.400112K92 T93 R98 S99K92-E96 HydrophobicContact CD-CB 4.31Å; K92-E96 VanDerWaalsContact CE-C 3.45Å; K92-E96 WeakPolarHBondContact CE-O 3.34Å; K92-E96 HydrophobicContact CG-CB 3.5Å; K92-E96 PolarHBondContact NZ-O 2.81Å; T93-E96 WeakPolarHBondContact CB-OE2 3.49Å; T93-E96 PolarHBondContact N-OE2 2.83Å; T93-E96 CarbonylContact O-C 3.6Å; T93-E96 WeakPolarHBondContact O-CA 3.05Å; T93-E96 WeakPolarHBondContact O-CB 3.31Å; T93-E96 PolarHBondContact O-N 3.05Å; T93-E96 WeakPolarHBondContact OG1-CB 3.48Å; T93-E96 WeakPolarHBondContact OG1-CG 3.49Å; T93-E96 PolarHBondContact OG1-N 2.84Å; T93-E96 PolarHBondContact OG1-OE2 3.35Å; E96-R98 VanDerWaalsContact C-N 3.33Å; E96-R98 PolarHBondContact O-N 3.44Å; E96-S99 PolarHBondContact O-N 3.4Å; E96-S99 PolarHBondContact O-OG 2.82Å
97M64Low59.5Low18 Ų18103.5 Ų103.59%0.08956%0.555CS.*Hα-helixtrans-60.6-43.7173.4-77.6-179.669.700112C49 C51 K92 T93 P94 S99 K100 Y101C49-M97 HydrophobicContact CB-CE 3.75Å; C51-M97 HydrophobicContact CB-CE 4.36Å; C51-M97 HydrophobicContact CB-SD 4.48Å; C51-M97 VanDerWaalsContact SG-CE 3.51Å; C51-M97 PolarHBondContact SG-SD 3.37Å; K92-M97 HydrophobicContact CB-CG 4.09Å; K92-M97 HydrophobicContact CD-CG 3.82Å; K92-M97 HydrophobicContact CG-CG 3.93Å; T93-M97 PolarHBondContact O-N 3.47Å; P94-M97 PolarHBondContact O-N 3.09Å; M97-S99 VanDerWaalsContact C-N 3.29Å; M97-S99 PolarHBondContact O-N 3.36Å; M97-K100 PolarHBondContact O-N 3.33Å; M97-Y101 VanDerWaalsContact O-CD2 3.31Å; M97-Y101 WeakPolarHBondContact O-CD2 3.23Å
98R64.5Low58.2Low175 Ų175105.7 Ų105.766%0.6657%0.568SS**Hα-helixtrans-64.5-30.9179.6-70.8168.8-176.6-172.32.2112.6P94 G95 E96 K100 Y101 N102P94-R98 VanDerWaalsContact O-CG 3.23Å; P94-R98 WeakPolarHBondContact O-CG 3.17Å; P94-R98 PolarHBondContact O-N 3.32Å; P94-R98 VanDerWaalsContact O-N 3.09Å; G95-R98 PolarHBondContact O-N 3.32Å; E96-R98 VanDerWaalsContact C-N 3.33Å; E96-R98 PolarHBondContact O-N 3.44Å; R98-K100 VanDerWaalsContact C-N 3.32Å; R98-K100 PolarHBondContact O-N 2.87Å; R98-Y101 PolarHBondContact O-N 2.72Å; R98-N102 PolarHBondContact O-N 2.94Å; R98-N102 PolarHBondContact O-OD1 3.48Å
99S56.3Low57.1Low70 Ų70105 Ų10549%0.4956%0.561SS.*Hα-helixtrans-66.8-29.1-177.869.50000113.9G95 E96 M97 Y101 N102G95-S99 PolarHBondContact O-N 2.78Å; E96-S99 PolarHBondContact O-N 3.4Å; E96-S99 PolarHBondContact O-OG 2.82Å; M97-S99 VanDerWaalsContact C-N 3.29Å; M97-S99 PolarHBondContact O-N 3.36Å; S99-Y101 PolarHBondContact O-N 2.84Å; S99-N102 PolarHBondContact O-N 3.24Å
100K59.9Low55.6Low133 Ų133112.1 Ų112.158%0.57857%0.569SS**Hα-helixtrans-69.4-17.4173.6-79-173.2-172.1-173.10113.3F20 M97 R98F20-K100 HydrophobicContact CE1-CD 4.44Å; M97-K100 PolarHBondContact O-N 3.33Å; R98-K100 VanDerWaalsContact C-N 3.32Å; R98-K100 PolarHBondContact O-N 2.87Å
101Y53.9Low54.4Low79 Ų79112.4 Ų112.431%0.3156%0.562SS.*Hα-helixtrans-92.8-25.6174.4-67.9-79.1000113.5V48 C49 M97 R98 S99 G103 L104V48-Y101 WeakPolarHBondContact CA-OH 3.03Å; C49-Y101 WeakPolarHBondContact CA-OH 3.45Å; C49-Y101 HydrophobicContact CB-CE2 4.2Å; C49-Y101 VanDerWaalsContact CB-OH 3.26Å; C49-Y101 WeakPolarHBondContact CB-OH 3.45Å; C49-Y101 PolarHBondContact N-OH 3.11Å; C49-Y101 PolarHBondContact SG-OH 2.86Å; M97-Y101 VanDerWaalsContact O-CD2 3.31Å; M97-Y101 WeakPolarHBondContact O-CD2 3.23Å; R98-Y101 PolarHBondContact O-N 2.72Å; S99-Y101 PolarHBondContact O-N 2.84Å; Y101-G103 VanDerWaalsContact C-N 3.29Å; Y101-G103 PolarHBondContact O-N 2.98Å; Y101-L104 PolarHBondContact O-N 3.28Å
102N51.7Low53.4Low135 Ų135118.3 Ų118.372%0.72259%0.585SS**Hα-helixtrans-76.2-17-177.4-70-6.6000113.2R98 S99R98-N102 PolarHBondContact O-N 2.94Å; R98-N102 PolarHBondContact O-OD1 3.48Å; S99-N102 PolarHBondContact O-N 3.24Å
103G47.6Very low52.3Low67 Ų67121.2 Ų121.269%0.69161%0.61SS**THydrogen-bonded Turntrans-84.8-8.7171.700000114.3Y101Y101-G103 VanDerWaalsContact C-N 3.29Å; Y101-G103 PolarHBondContact O-N 2.98Å
104L48.2Very low51.6Low111 Ų111123.8 Ų123.858%0.58163%0.628SS**SBendtrans-87.3120.4172.9-65.1174.3000107.5Y101 R106Y101-L104 PolarHBondContact O-N 3.28Å; L104-R106 PolarHBondContact O-N 3.23Å
105P43.7Very low50.7Low106 Ų106124.8 Ų124.869%0.68864%0.636SS**  trans-56115.2169.323-28.8000105.2T107P105-T107 PolarHBondContact O-N 3.19Å
106R46.2Very low50.1Low237 Ų237128.6 Ų128.689%0.89465%0.652SS**  trans-47.193163.4-98.2175.9147.3165-4.4105.2L104 S108L104-R106 PolarHBondContact O-N 3.23Å; R106-S108 PolarHBondContact O-N 3.3Å
107T44.1Very low49.3Very low110 Ų110134.6 Ų134.668%0.67567%0.67SS**  trans-57.8119.2-179.854.60000103.7P105 Y109P105-T107 PolarHBondContact O-N 3.19Å; T107-Y109 WeakPolarHBondContact O-CD1 3.38Å; T107-Y109 PolarHBondContact O-N 3.17Å
108S40.8Very low48.4Very low89 Ų89145.1 Ų145.162%0.62271%0.709SS**  trans-68.975.5-167.258.40000109R106 R110R106-S108 PolarHBondContact O-N 3.3Å; S108-R110 PolarHBondContact O-N 3.12Å
109Y44.7Very low47.4Very low201 Ų201145.6 Ų145.679%0.78872%0.718SS**THydrogen-bonded Turntrans-71.89169.761.3-94.9000111.7T107T107-Y109 WeakPolarHBondContact O-CD1 3.38Å; T107-Y109 PolarHBondContact O-N 3.17Å
110R42.2Very low46.9Very low213 Ų213154 Ų15480%0.80474%0.74SS**THydrogen-bonded Turntrans-113.5-0.5180-111.5-179.7-172.5174.72.7117.1S108S108-R110 PolarHBondContact O-N 3.12Å
111F42.1Very low46.1Very low171 Ų171158.4 Ų158.475%0.7575%0.752SS**  trans-138.379.5168.6-67.4-75.8000110S113F111-S113 PolarHBondContact O-N 2.99Å
112R44.1Very low45.7Very low248 Ų248165.3 Ų165.394%0.93678%0.778SS**  trans-64.991.4162.8-157179.2-158.5-133.26.3106.3P114R112-P114 WeakPolarHBondContact O-CD 3.27Å
113S44.2Very low45.2Very low100 Ų100168.2 Ų168.270%0.69978%0.779SS**  trans-42.9122.4176.2-55.50000109.6F111 S115F111-S113 PolarHBondContact O-N 2.99Å; S113-S115 PolarHBondContact O-N 3.07Å
114P49.1Very low44.7Very low127 Ų127171 Ų17183%0.82579%0.787SS**  trans-56.7112.1171.6-25.134.7000108.3R112R112-P114 WeakPolarHBondContact O-CD 3.27Å
115S47.8Very low44.3Very low84 Ų84175.4 Ų175.459%0.58780%0.796SS**  trans-34125.3177.3178.20000112.2S113 R117S113-S115 PolarHBondContact O-N 3.07Å; S115-R117 PolarHBondContact O-N 3.11Å
116P50.8Low44Very low131 Ų131175.5 Ų175.585%0.85180%0.799SS**THydrogen-bonded Turntrans-7323.8-177.428.8-33000113.5
117R49.5Very low43.7Very low221 Ų221174.9 Ų174.983%0.83480%0.797SS**THydrogen-bonded Turntrans-113.912.7-168.8-67-167.8175.3-165.4-0.2115.6S115S115-R117 PolarHBondContact O-N 3.11Å
118R45.4Very low43.3Very low240 Ų240174.9 Ų174.991%0.90680%0.802SS**  trans-126.512.1-175.4-101.8-176.2-169.4-114.92.7118.9
119H42.9Very low43.3Very low185 Ų185181.2 Ų181.286%0.85681%0.812SS**  trans-94.914.9176.8-127.2-54.8000115.9R121H119-R121 PolarHBondContact O-N 3.31Å
120R46.7Very low43Very low247 Ų247176.4 Ų176.493%0.93281%0.808SS**SBendtrans-85.811.2-176.8-93.6-171.8-177.41791.2116.4
121R43.3Very low42.9Very low224 Ų224177.5 Ų177.585%0.84581%0.812SS**  trans-141.5133.1-179.1-89.1-177.6172.1-174.8-2.9111.7H119H119-R121 PolarHBondContact O-N 3.31Å
122R44.4Very low42.8Very low224 Ų224175.4 Ų175.485%0.84581%0.813SS**  trans89.8113.9177.1-52.7171.4177.1-142.3-3.9110.5
123R40.7Very low42.4Very low197 Ų197174.3 Ų174.374%0.74381%0.809SS**  cis-166.2108.335.3-159173.4-171.2109.3-2.1108.6R125R123-R125 PolarHBondContact O-N 3.3Å; R123-R125 VanDerWaalsContact O-N 3.16Å
124S38.1Very low42.1Very low124 Ų124173.6 Ų173.687%0.86780%0.804SS**  trans-63.6108.1166.7-35.50000108.4
125R39.2Very low41.6Very low205 Ų205178.7 Ų178.777%0.77481%0.807SS**  trans-147.488165.9-119177.2177.388.8-6109.5R123R123-R125 PolarHBondContact O-N 3.3Å; R123-R125 VanDerWaalsContact O-N 3.16Å
126S37.8Very low41.1Very low107 Ų107180.9 Ų180.975%0.74882%0.822SS**  trans-50132.5165.521.20000112
127R40.4Very low40.7Very low224 Ų224178.3 Ų178.385%0.84582%0.819SS**  trans-172.189.7144.5-106.8168.9-179.794.5-5110.6
128S34.3Very low40.1Very low111 Ų111173 Ų17378%0.77682%0.816SS**  trans-52.1129.6154.346.10000111.2
129R42.6Very low39.7Very low221 Ų221171.9 Ų171.983%0.83481%0.812SS**  trans-174.693.1148.4-102.8161-168.8151.43.2109.9
130S37.9Very low39.4Very low100 Ų100170.4 Ų170.470%0.69981%0.805SS**  trans3.512513236.50000116.5
131R39.6Very low39.2Very low236 Ų236169.5 Ų169.589%0.89180%0.802SS**  176.5114123.5-96.9160.5-179.7147.7-1.2111.8
132T39.6Very low38.9Very low127 Ų127163.8 Ų163.878%0.77980%0.796SS**  trans-45.4138.1155.3420000112.8
133R35.9Very low38.8Very low225 Ų225162.6 Ų162.685%0.84980%0.799SS**  trans171.3105.9136.4-100.7175166.8103.5-4112.8
134S38.7Very low38.7Very low85 Ų85162.9 Ų162.959%0.59480%0.8SS**  30.4126.8125.860.40000119.9
135R37.7Very low38.8Very low235 Ų235165.7 Ų165.789%0.88780%0.8SS**  166.1137.8111.1-91.1166.6176.2143.3-3.2113.3
136S36.6Very low38.8Very low130 Ų130162.8 Ų162.891%0.90979%0.792SS**  trans-55.7146.8176-28.80000114
137G42.6Very low38.7Very low76 Ų76168 Ų16878%0.78480%0.796SS**  trans-155.366.3176.200000113.3
138S37.9Very low38.8Very low110 Ų110166 Ų16677%0.76980%0.796SS**  trans-63134.7154.857.50000108.4
139R36Very low38.7Very low216 Ų216165.3 Ų165.382%0.81579%0.791SS**  trans171.5119.7146.2-98.1175.7-172.3178.91.2113.2
140H37.9Very low38.5Very low155 Ų155160 Ų16072%0.71879%0.788SS**  trans73.1120.1142.9-51.7-54.7000120.6
141R42.3Very low38.2Very low228 Ų228160.7 Ų160.786%0.8679%0.793SS**  152.778.9120.3-81168.8-177.9152.4-0.3110.2
142S35.7Very low38.2Very low104 Ų104154.4 Ų154.473%0.72779%0.785SS**  33.8101.3100.365.40000114.3
143H42.7Very low38Very low198 Ų198159 Ų15992%0.91779%0.788SS**  trans-141.4123.5145.7-95.459.3000108.4
144R38.7Very low38.1Very low203 Ų203158.6 Ų158.677%0.76679%0.786SS**  trans-125.7119-161.9-177.5-169.8-161.1-150.88.1106.3
145H40.5Very low38Very low184 Ų184162.5 Ų162.585%0.85280%0.795SS**  trans-151.197.5162.7-96.7-58.4000107.9
146K40.2Very low38.3Very low143 Ų143159 Ų15962%0.62279%0.786SS**  54.4100.483-71.4-166.1178.9-177.90112.4
147R35.1Very low38.6Very low216 Ų216164.3 Ų164.382%0.81579%0.786SS**  79.111899.6-78.3-174.6-179.6-158.8-1.3111.9
148H42.5Very low38.3Very low183 Ų183165.4 Ų165.485%0.84778%0.782SS**  trans177.7100.7138.1-79.8-51.8000107.2
149S32Very low38.5Very low97 Ų97171.4 Ų171.468%0.67879%0.788SS**  58.8128.387.259.10000114.9
150S37.5Very low38.6Very low110 Ų110171.9 Ų171.977%0.76979%0.789SS**  trans108.2101.5160.3-39.60000114.8
151S31.8Very low38.7Very low114 Ų114168.7 Ų168.780%0.79778%0.784SS**  72.1101.988.3-169.60000111.3
152S40Very low38.7Very low104 Ų104166.5 Ų166.573%0.72778%0.784SS**  177.6108.380.342.20000107.3
153R36.5Very low39Very low224 Ų224168.9 Ų168.985%0.84579%0.788SS**  47108.991.1-74.8-175.3179.7166.91.2115.9
154R37.5Very low39.2Very low216 Ų216167.5 Ų167.582%0.81578%0.782SS**  trans82.8113.9132.6-68.8175.5170.9-176.5-3.6117.8
155H36.3Very low39.7Very low167 Ų167162.9 Ų162.977%0.77378%0.781SS**  -146.2104.6117.9-114.258.8000112.6
156K44.9Very low40.3Very low161 Ų161160.5 Ų160.570%0.777%0.774SS**  trans38126.1139.5-44.8-172.2-179.9-179.10117.1
157R41.3Very low40.5Very low241 Ų241161.1 Ų161.191%0.90979%0.785SS**  -168.6145.569.2-88.7174.6171.9121.8-3.4111.9
158S38Very low41Very low99 Ų99155.1 Ų155.169%0.69278%0.781SS**  trans-77.5168.9176.350.60000113.5
159R42.1Very low41.5Very low237 Ų237153.4 Ų153.489%0.89478%0.777SS**  trans96.8124.9165.3-58171.2-178.3169.3-0.1112.4
160R37.1Very low42.3Very low226 Ų226157.4 Ų157.485%0.85379%0.785SS**  cis-177.5133.78.1-177.3171.1-172.5171.41.3104.8
161S39.4Very low42.5Very low87 Ų87158.4 Ų158.461%0.60879%0.786SS**  trans34.9137.3140-440000119.6
162E44Very low43.2Very low183 Ų183158.3 Ų158.386%0.85578%0.78SS**  cis-177.9156.414.4-106151.5168.200104.7
163D41.1Very low43.6Very low153 Ų153161.6 Ų161.682%0.81878%0.781SS**  trans85.971.2169.3-126.60.7000118.5
164H46.6Very low44.2Very low169 Ų169158.6 Ų158.678%0.78278%0.782SS**  trans-114.8106.1155.5-121.143.3000106.8D166H164-D166 PolarHBondContact O-N 3.12Å
165S50.6Low44.3Very low106 Ų106151.9 Ų151.974%0.74178%0.78SS**  trans-79.297.616111.90000106.2D167S165-D167 PolarHBondContact O-N 3.17Å; S165-D167 VanDerWaalsContact O-N 3.17Å
166D51.4Low44.9Very low134 Ų134149.5 Ų149.572%0.71778%0.783SS**  trans-60.2115.1179.8-76-65.8000111.1H164 A168H164-D166 PolarHBondContact O-N 3.12Å; D166-A168 PolarHBondContact O-N 3.12Å
167D45.9Very low44.9Very low157 Ų157147.7 Ų147.784%0.8479%0.787SS**  trans-52.996157.9-72.4-75.6000110.6S165S165-D167 PolarHBondContact O-N 3.17Å; S165-D167 VanDerWaalsContact O-N 3.17Å
168A44.9Very low45.4Very low90 Ų90146.2 Ų146.274%0.74479%0.787SS**  trans-121.768.1164.600000109.7D166 E170D166-A168 PolarHBondContact O-N 3.12Å; A168-E170 PolarHBondContact O-N 3.14Å
169I52.9Low45.6Very low147 Ų147149.6 Ų149.675%0.75479%0.792SS**  trans-83.290.2165.730.6173.4000109.4V171I169-V171 PolarHBondContact O-N 3.17Å
170E48.5Very low46Very low181 Ų181144.6 Ų144.685%0.84678%0.783SS**  trans-53.1112.1155.7-82.2-98.1135.400109.4A168A168-E170 PolarHBondContact O-N 3.14Å
171V42.6Very low46.4Very low131 Ų131141.5 Ų141.579%0.79478%0.778SS**  trans-100.893.1173.7179.90000108.4I169I169-V171 PolarHBondContact O-N 3.17Å
172V46.5Very low46.7Very low111 Ų111145.8 Ų145.867%0.67379%0.786SS**  trans-146.7120160.3-164.10000111.9
173K48.5Very low47Very low174 Ų174146.6 Ų146.676%0.75779%0.789SS**SBendtrans68.1109.5155.8-83.4169.4173.8171.60119.3
174D48.2Very low46.9Very low160 Ų160142.3 Ų142.386%0.85678%0.782SS**  trans78.8111.5145.4-50.5-39.5000117.5
175G38.7Very low46.7Very low76 Ų76144.9 Ų144.978%0.78478%0.784SS**  trans131.290.9151.600000118.1
176S49.3Very low46.3Very low117 Ų117146.9 Ų146.982%0.81878%0.782SS**  trans22.1134.9150.5-55.50000122.7
177P44.8Very low45.8Very low122 Ų122145.9 Ų145.979%0.79279%0.786SS**  trans-82.3143.2170.535.2-30.2000111.4
178K52Low45.9Very low210 Ų210144 Ų14491%0.91379%0.785SS**  trans-108.9137167-88.4-169.6172.8-176.40110.6
179E43.5Very low45.9Very low171 Ų171145.3 Ų145.380%0.79979%0.788SS**  trans-82.6163.8-177.9-52169.2-168.600109.9
180N49Very low45.4Very low131 Ų131142.2 Ų142.270%0.70179%0.792SS**  trans126.8108.5151.1-58.9-4.5000114.8
181E46Very low45.3Very low161 Ų161138.3 Ų138.375%0.75279%0.785SS**  87.5103.998.2-70.9-168.4128.600112.5
182K45.9Very low45.4Very low177 Ų177140.3 Ų140.377%0.7779%0.786SS**  76.690.883.1-171.6-166.7-172.2-177.60113.7
183H49.5Very low45.5Very low200 Ų200140.6 Ų140.693%0.92679%0.793SS**  trans-168.2137.9149.3-66-60.9000106.8
184G39.1Very low45.2Very low64 Ų64141 Ų14166%0.6680%0.798SS**  cis121.988.214.300000111.9
185R42.2Very low44.8Very low222 Ų222141.3 Ų141.384%0.83879%0.793SS**  trans76.4156.4145.2-58.2-177.1172-168.7-7.3123.2
186H42.6Very low44.9Very low148 Ų148142.5 Ų142.569%0.68579%0.789SS**  trans91.7108.4153-42.6-67.3000116.8
187S42.1Very low44.7Very low114 Ų114147.8 Ų147.880%0.79779%0.792SS**  82.9122.363.8-64.90000114.6
188S46.1Very low44.6Very low117 Ų117147.4 Ų147.482%0.81879%0.792SS**  trans131.1139.9158.367.40000109.3
189S46.4Very low44.5Very low117 Ų117144.4 Ų144.482%0.81879%0.791SS**  cis166.1143.18.542.40000103.7
190G41.4Very low44.7Very low82 Ų82142.5 Ų142.585%0.84579%0.791SS**  trans174.288.1174.100000114.6
191S46.3Very low44.7Very low99 Ų99142.2 Ų142.269%0.69280%0.796SS**  trans-64.7147.8173.346.40000112.6
192E46.1Very low44.5Very low174 Ų174142.7 Ų142.781%0.81380%0.798SS**  143.8140.4105-102.6153.311900104.7
193S47.1Very low44.6Very low117 Ų117145 Ų14582%0.81880%0.802SS**  cis-178.3162.75039.60000109.4
194Q43.8Very low44.3Very low183 Ų183142 Ų14286%0.85579%0.793SS**  trans-85146.1-167.4-56.1171.1-39.500113.4
195H39Very low44.2Very low166 Ų166146.4 Ų146.477%0.76980%0.798SS**  trans-154.4109.3142.9-145.955.2000113.1
196S41.5Very low44.2Very low100 Ų100140.9 Ų140.970%0.69979%0.794SS**  trans-81.8133.9174.1-36.50000110.4
197R44Very low44.4Very low229 Ų229145.9 Ų145.986%0.86481%0.807SS**  trans-151.1110.6147.1-73.4-157.9169161.6-3.8111.6
198S41.9Very low44.8Very low113 Ų113146 Ų14679%0.7981%0.807SS**  trans-76.8141.816843.80000112.1
199V50.3Low44.9Very low147 Ų147146.7 Ų146.789%0.89181%0.809SS**  trans-165.3113.8146.6-96.90000109.3
200T48.4Very low45.1Very low132 Ų132146.2 Ų146.281%0.8181%0.805SS**  trans-78158.7157.548.90000109
201P49.1Very low45.4Very low124 Ų124150.8 Ų150.881%0.80580%0.804SS**  -148.2161.79734.9-15.7000116.2
202E40.9Very low45.6Very low171 Ų171154.7 Ų154.780%0.79981%0.811SS**  trans-35.4148.2168.1-46.1-166.313000118.8
203R47.9Very low45.6Very low227 Ų227153.4 Ų153.486%0.85781%0.81SS**  162.6114.6116.9-90.2172.2-179.7-171.5-1.4110
204D43.6Very low45.7Very low135 Ų135152.9 Ų152.972%0.72281%0.806SS**  90.6101.175-152.719.1000111.8
205M38.2Very low46Very low158 Ų158148 Ų14878%0.77881%0.805SS**  trans57.1138.4139-60.9-68.3148.100122.1
206S42Very low46.7Very low106 Ų106148.7 Ų148.774%0.74181%0.809SS**  trans95.599.1150.5-36.20000117
207R46.4Very low47.5Very low253 Ų253153.2 Ų153.296%0.95582%0.819SS**  -171120123.6-104.3161.4-177.3-139-1.1113.1
208S51Low48Very low116 Ų116149.1 Ų149.181%0.81181%0.814SS**  trans-69.9164.1-175-50.50000115
209P47.8Very low48.2Very low131 Ų131147.3 Ų147.385%0.85181%0.813SS**  trans-93.8140.7176.334.8-28.8000113.1
210S50.1Low48.4Very low107 Ų107149.1 Ų149.175%0.74881%0.812SS**  trans-155.9111.7170.658.10000109.1
211H47.5Very low49.1Very low178 Ų178148.6 Ų148.682%0.82481%0.811SS**  89.5158.494.6-108.4-29.7000114.4
212H50.2Low49.2Very low181 Ų181148 Ų14884%0.83881%0.81SS**  trans86.2130-171.1-46.4-67.9000113.5
213D47.9Very low49.5Very low148 Ų148151.8 Ų151.879%0.79182%0.817SS**  cis-161.315224.2-171.425.9000110.9
214S48.3Very low49.7Very low105 Ų105145.8 Ų145.873%0.73481%0.81SS**  trans-84.5145.3-175.639.60000113.3
215G49.5Very low50Low81 Ų81144.6 Ų144.684%0.83581%0.812SS**  trans-154.197.7169.900000111.6
216E54.8Low50.8Low181 Ų181147.8 Ų147.885%0.84682%0.815SS**  trans-68.6137.1170.2-65.8168.894.300111.1
217E57.7Low51.3Low194 Ų194151.9 Ų151.991%0.90782%0.823SS**  trans-148.3116.7143.6-162.6-179.9140.100110.1
218N53.9Low51.5Low144 Ų144143 Ų14377%0.7781%0.81SS**  trans-76134.4176.5-70.8-71.9000110.4
219G46Very low51.8Low74 Ų74142.5 Ų142.576%0.76381%0.807SS**  trans-155.781.1172.700000112.2
220Q56Low52.5Low185 Ų185144 Ų14486%0.86480%0.802SS**  trans-67.5143.6172.1-60.9175.1-85.800111.3
221P62.8Low52.9Low121 Ų121145.2 Ų145.279%0.78680%0.8SS**  trans-94.4115.8155.230.8-24.9000110.2
222S51.4Low53.7Low113 Ų113144.8 Ų144.879%0.7980%0.804SS**  trans-62.1132.3174.3-48.40000111.7
223R46.3Very low54.2Low249 Ų249141.1 Ų141.194%0.9481%0.805SS**  trans-92.8121.9167.9-57.6173.4176.4-171.4-2.9108.4
224S53.2Low55Low102 Ų102143 Ų14371%0.71381%0.809SS**  trans-178144.316355.80000106.5
225S50.3Low55.5Low109 Ų109143.8 Ų143.876%0.76282%0.815SS**  cis179.6167.6-6.2-78.30000103.9
226R53Low56.4Low225 Ų225146.3 Ų146.385%0.84981%0.813SS**  trans87.3104.7170.6-70.6176.5154.9-179.9-7.2116.2
227E54.3Low56.8Low192 Ų192143 Ų14390%0.89781%0.81SS**  66.2111.973.2-71.9-171.4127.100112.8
228G49.7Very low56.6Low66 Ų66137.2 Ų137.268%0.6880%0.803SS**  trans-172.496.5172.200000111.1
229S57.3Low57.4Low107 Ų107139 Ų13975%0.74881%0.807SS**  trans70.1104.2135.7-36.90000118.4
230Q62Low58.4Low162 Ų162142.8 Ų142.876%0.75781%0.808SS**  68102.390.8-69.9-168.6-76.200112.4
231D58.3Low59.1Low132 Ų132139.5 Ų139.571%0.70680%0.795SS**  96.887.788.1-71.6-34.7000109.7
232D65.6Low59.8Low169 Ų169139.4 Ų139.490%0.90479%0.792SS**  trans-136.999.8160.2-78.1-52.9000108.3
233A60.1Low60.5Low104 Ų104143 Ų14386%0.8679%0.79SS**  trans-87.4114.4170.400000108.8
234E64.5Low61.9Low188 Ų188136.8 Ų136.888%0.87978%0.782SS**  trans-118.1111.3159.1-78.1-155.2125.800110
235S59.8Low62Low122 Ų122144.6 Ų144.685%0.85381%0.807SS**  trans-53.5127.7167.6-70.20000111.9
236V66.6Low62.6Low133 Ų133146.4 Ų146.481%0.80681%0.809SS**  trans-132.9105.1153.5-169.60000108.3G238V236-G238 PolarHBondContact O-N 3.35Å
237S64.2Low63.1Low111 Ų111142.2 Ų142.278%0.77681%0.807SS**  trans-42.6126159.147.30000109.8
238G54.3Low63.6Low74 Ų74139.4 Ų139.476%0.76380%0.802SS**  84.779.964.700000109.4V236V236-G238 PolarHBondContact O-N 3.35Å
239E69.8Low64.4Low180 Ų180143.8 Ų143.884%0.84181%0.809SS**  trans-152.1108.6152.9-147.8170.3-173.400108.9
240I66.1Low64.9Low154 Ų154146.1 Ų146.179%0.7981%0.813SS**  trans-82.7119.3175.8-66.4168.6000106.5
241I71.1Confident65.1Low116 Ų116145 Ų14560%0.59582%0.817SS**  trans-11198.8166.5-53.9178.6000107.1Y243I241-Y243 HydrophobicContact CB-CE2 4.35Å; I241-Y243 HydrophobicContact CG2-CD2 3.93Å; I241-Y243 HydrophobicContact CG2-CE2 3.29Å
242T77.1Confident65.6Low119 Ų119145.9 Ų145.973%0.7383%0.825SS**  trans-78.1127.7170.1-50.50000108.8
243Y66.6Low65.6Low190 Ų190144.2 Ų144.275%0.74582%0.818SS**  trans-112.1139.7163.3-71-82000109.3I241I241-Y243 HydrophobicContact CB-CE2 4.35Å; I241-Y243 HydrophobicContact CG2-CD2 3.93Å; I241-Y243 HydrophobicContact CG2-CE2 3.29Å
244P75.7Confident66Low117 Ų117147.5 Ų147.576%0.7682%0.815SS**  trans-74.7153.7173.135.5-35.2000109.1
245Q56.3Low66.1Low266 Ų266143.8 Ų143.8100%1.24381%0.809SS**  cis-139.1012.4-72.8-174.5-2600109.5

Retrieved 245 of 245 residues in 110.7 ms (Link to these results)