A0A077ZIB0_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZIB0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 373 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1H39.4Very low38.3Very low244 Ų244160.7 Ų160.7100%1.1384%0.835SS**  0146.70-64.9-83.3000110.3
2F34Very low38.3Very low209 Ų209161.4 Ų161.492%0.91784%0.838SS**  trans-78.1126.7-169.6-154.4-99.4000111.5G4F2-G4 PolarHBondContact O-N 3.07Å
3K39.3Very low37.6Very low200 Ų200163.9 Ų163.987%0.8783%0.832SS**  trans-83.792.9178.5-72.1-177.2177.2179.40109.9G5K3-G5 PolarHBondContact O-N 3.12Å
4G41.1Very low37.1Very low71 Ų71165.9 Ų165.973%0.73284%0.836SS**  trans-65109.7174.800000111.8F2 A6F2-G4 PolarHBondContact O-N 3.07Å; G4-A6 PolarHBondContact O-N 2.87Å
5G35.2Very low36.8Very low71 Ų71166.5 Ų166.573%0.73283%0.831SS**  trans-71121.5179.300000112.4K3 R7K3-G5 PolarHBondContact O-N 3.12Å; G5-R7 PolarHBondContact O-N 2.99Å; G5-R7 VanDerWaalsContact O-N 3.12Å
6A39.5Very low36.3Very low96 Ų96168.1 Ų168.179%0.79384%0.835SS**  trans-67.1108.1-179.800000111.9G4 K8G4-A6 PolarHBondContact O-N 2.87Å; A6-K8 PolarHBondContact O-N 3.26Å; A6-K8 VanDerWaalsContact O-N 3.08Å
7R41.7Very low36.1Very low235 Ų235164.2 Ų164.289%0.88782%0.822SS**  trans-69.8100.7167.5-76.1-175.6171.9-177.1-2.3109.4G5 F9G5-R7 PolarHBondContact O-N 2.99Å; G5-R7 VanDerWaalsContact O-N 3.12Å; R7-F9 PolarHBondContact O-N 2.87Å
8K41.8Very low35.5Very low197 Ų197160.4 Ų160.486%0.85781%0.814SS**  trans-64.5115.8172-65.5178.9176.1179.70109.3A6A6-K8 PolarHBondContact O-N 3.26Å; A6-K8 VanDerWaalsContact O-N 3.08Å
9F39.7Very low35.1Very low200 Ų200159.5 Ų159.588%0.87781%0.807SS**PPolyproline II helixtrans-71.3126.5164.8-78-96.3000108.8R7R7-F9 PolarHBondContact O-N 2.87Å
10L33.2Very low35.1Very low158 Ų158161.7 Ų161.783%0.82781%0.814SS**PPolyproline II helixtrans-78.8128.4166.8-74168000108.3I12L10-I12 PolarHBondContact O-N 3.5Å
11P36.9Very low34.6Very low87 Ų87160.6 Ų160.657%0.56580%0.804SS**PPolyproline II helixtrans-68.7133.1-178.726.9-33.2000111Y13P11-Y13 HydrophobicContact CG-CD2 4.44Å; P11-Y13 HydrophobicContact CG-CE2 3.82Å; P11-Y13 WeakPolarHBondContact O-CD2 3.44Å; P11-Y13 PolarHBondContact O-N 2.89Å; P11-Y13 VanDerWaalsContact O-N 3.13Å
12I37.9Very low34.4Very low169 Ų169158 Ų15887%0.86779%0.792SS**  trans-78.797.1172.6-59.4173.3000107.5L10 Q14L10-I12 PolarHBondContact O-N 3.5Å; I12-Q14 PolarHBondContact O-N 3.23Å
13Y29.6Very low34Very low194 Ų194154 Ų15476%0.76179%0.785SS**  trans-63.6123.7174.5-73.8-91.4000110.5P11 K15P11-Y13 HydrophobicContact CG-CD2 4.44Å; P11-Y13 HydrophobicContact CG-CE2 3.82Å; P11-Y13 WeakPolarHBondContact O-CD2 3.44Å; P11-Y13 PolarHBondContact O-N 2.89Å; P11-Y13 VanDerWaalsContact O-N 3.13Å; Y13-K15 VanDerWaalsContact C-N 3.33Å; Y13-K15 PolarHBondContact O-N 3.06Å
14Q30.1Very low33.5Very low192 Ų192151 Ų15190%0.89778%0.782SS**  trans-68.396.1159.7-74-176.9-1600107.8I12 E16I12-Q14 PolarHBondContact O-N 3.23Å; Q14-E16 PolarHBondContact O-N 2.96Å
15K32.3Very low32.9Very low175 Ų175153 Ų15376%0.76178%0.781SS**  trans-88.181.4-179.9-152.2-163.6179-164.50109.8Y13 V17Y13-K15 VanDerWaalsContact C-N 3.33Å; Y13-K15 PolarHBondContact O-N 3.06Å; K15-V17 HydrophobicContact CB-CG2 4.37Å; K15-V17 HydrophobicContact CD-CG2 3.48Å; K15-V17 VanDerWaalsContact CD-CG2 3.48Å; K15-V17 VanDerWaalsContact CE-CG2 3.47Å; K15-V17 HydrophobicContact CG-CG2 3.58Å; K15-V17 PolarHBondContact O-N 3.34Å
16E29.7Very low32.6Very low191 Ų191158.9 Ų158.989%0.89379%0.786SS**  trans-61.1118.9157.7-64.8-169.5151.600107.6Q14Q14-E16 PolarHBondContact O-N 2.96Å
17V32.3Very low31.9Very low102 Ų102158.4 Ų158.462%0.61879%0.79SS**  trans-123111.5175.2-176.60000108.2K15K15-V17 HydrophobicContact CB-CG2 4.37Å; K15-V17 HydrophobicContact CD-CG2 3.48Å; K15-V17 VanDerWaalsContact CD-CG2 3.48Å; K15-V17 VanDerWaalsContact CE-CG2 3.47Å; K15-V17 HydrophobicContact CG-CG2 3.58Å; K15-V17 PolarHBondContact O-N 3.34Å
18S24.7Very low31.2Very low97 Ų97150.5 Ų150.568%0.67878%0.782SS**  trans-76.5160.5168.153.20000111.9
19E27.9Very low30.3Very low142 Ų142147.9 Ų147.966%0.66479%0.787SS**  trans69.9120.2164.6-46.8-151.813300118.2K21E19-K21 WeakPolarHBondContact OE1-CE 3.44Å; E19-K21 IonicContact OE1-NZ 3.05Å; E19-K21 PolarHBondContact OE1-NZ 2.96Å; E19-K21 IonicContact OE2-NZ 3.39Å; E19-K21 PolarHBondContact OE2-NZ 3.3Å
20E35.2Very low29.7Very low203 Ų203141.9 Ų141.995%0.94978%0.781SS**  trans-138.5145.3130.2-117.3166-148.900107.8
21K25.8Very low29.7Very low139 Ų139138.6 Ų138.660%0.60478%0.777SS**  trans-137115-171.3-65.2-178.9-173.8106.30111.7E19E19-K21 WeakPolarHBondContact OE1-CE 3.44Å; E19-K21 IonicContact OE1-NZ 3.05Å; E19-K21 PolarHBondContact OE1-NZ 2.96Å; E19-K21 IonicContact OE2-NZ 3.39Å; E19-K21 PolarHBondContact OE2-NZ 3.3Å
22E34.7Very low29.2Very low191 Ų191142.8 Ų142.889%0.89379%0.786SS**  trans-145.1127.6152.3-69.6-166.4126.300106.1
23V24.7Very low28.6Very low125 Ų125141.1 Ų141.176%0.75877%0.774SS**  cis77.6137.821.1-165.30000113.6
24V30.1Very low28.5Very low135 Ų135139.2 Ų139.282%0.81877%0.773SS**  trans86.5124.8-169.8-177.30000113.5
25V28.4Very low28.4Very low115 Ų115136.7 Ų136.770%0.69776%0.761SS**  cis-161.7175-23.2960000111.5
26K28.1Very low28.2Very low194 Ų194137.4 Ų137.484%0.84376%0.764SS**  trans-11141164.8-52.5152.9-172.9178.90117.4
27G24.9Very low28Very low85 Ų85136.4 Ų136.488%0.87676%0.757SS**  cis140.9138.24.800000112.1
28G26.5Very low27.9Very low69 Ų69140 Ų14071%0.71177%0.766SS**  trans-170158.1-179.400000113.1
29C23.9Very low28.3Very low143 Ų143141.6 Ų141.697%0.96678%0.775SS**  trans-130.3145-166.4-63.20000114.1
30G26.6Very low28.4Very low74 Ų74145.8 Ų145.876%0.76379%0.785SS**  trans164.9135.1159.700000117.2
31A34Very low28.2Very low88 Ų88145.4 Ų145.473%0.72778%0.783SS**  trans62.1146.8162.800000118.6
32K26Very low28.5Very low175 Ų175148.4 Ų148.476%0.76180%0.796SS**  cis70.2143.421.6-70.4171.2152-78.70114.1
33E25.5Very low28.1Very low134 Ų134150.8 Ų150.863%0.62680%0.797SS**  cis-149.3179.50.3-146.9140.513500112.1
34E26.3Very low28.4Very low155 Ų155151.3 Ų151.372%0.72480%0.804SS**  trans-25149.5175.1-67.9173.8160.400123.4
35E28.9Very low28.4Very low138 Ų138150.7 Ų150.765%0.64581%0.806SS**  trans41120.3130.7-154.3-147.7154.200120.8
36K27.5Very low28.3Very low190 Ų190149 Ų14983%0.82681%0.811SS**  trans-153.7110.2138.9-104122.4-157.8149.30114.9
37K27Very low28.4Very low171 Ų171143.7 Ų143.774%0.74381%0.812SS**  50.2140.5123.4-62.6-175.9178.51800121.5
38E28.3Very low28.9Very low176 Ų176148.7 Ų148.782%0.82281%0.809SS**  trans-58.8141.9175.5-52.7172.2118.500113.6R40E38-R40 PolarHBondContact O-N 3.08Å
39P35Very low29.2Very low131 Ų131150.6 Ų150.685%0.85181%0.812SS**  trans-75.393.316731.3-32.6000110.4E41P39-E41 PolarHBondContact O-N 3.36Å
40R29.6Very low29.8Very low231 Ų231148.1 Ų148.187%0.87280%0.795SS**  trans-55.9132.6168-97.8-174.5170.9-173.9-2.9110.8E38 K42E38-R40 PolarHBondContact O-N 3.08Å; R40-K42 PolarHBondContact O-N 2.98Å
41E31.5Very low30.2Very low194 Ų194150.2 Ų150.291%0.90779%0.789SS**  trans-57.7124.1177.5-58.2179.4133.400111.7P39P39-E41 PolarHBondContact O-N 3.36Å
42K31.2Very low30.3Very low203 Ų203153.7 Ų153.788%0.88379%0.794SS**  trans-106.5124.3161.6-79-170.5173.5-176.90108.8R40R40-K42 PolarHBondContact O-N 2.98Å
43R26.6Very low31Very low241 Ų241154.8 Ų154.891%0.90979%0.794SS**  trans-68145.1-171.5-63.4176.2-179170.7-1.7111.7
44C29.8Very low31.5Very low136 Ų136152 Ų15292%0.91980%0.8SS**  trans-68.8133.3171.6-55.50000111.2
45S30.6Very low32Very low122 Ų122148 Ų14885%0.85379%0.786SS**  trans-113.9127.6162.550.80000108.9
46G26Very low32.3Very low78 Ų78143.4 Ų143.480%0.80478%0.776SS**SBendtrans123.896.1-176.300000112.1K48G46-K48 PolarHBondContact O-N 3.19Å
47G30.7Very low32.5Very low83 Ų83141.3 Ų141.386%0.85678%0.782SS**  trans-78.8108.1-175.200000113.8
48K35.2Very low33.4Very low191 Ų191136.5 Ų136.583%0.8378%0.781SS**  trans-128.7141139.1-73.8-175.9178.1174.60107.1G46 C50G46-K48 PolarHBondContact O-N 3.19Å; K48-C50 PolarHBondContact O-N 3.13Å
49S32.9Very low33.7Very low108 Ų108131.5 Ų131.576%0.75576%0.755SS**  trans-65.5102.1-175.548.50000110.6D51S49-D51 PolarHBondContact O-N 3.38Å
50C35.9Very low34.3Very low91 Ų91133 Ų13362%0.61575%0.751SS**  trans-66.997.6168.4-61.20000108.1K48 L52K48-C50 PolarHBondContact O-N 3.13Å; C50-L52 HydrophobicContact CB-CG 4.45Å; C50-L52 PolarHBondContact O-N 3.07Å
51D36.2Very low34.8Very low119 Ų119130.3 Ų130.364%0.63675%0.746SS**  trans-63.880.6170.8-78-13.8000109.4S49 R53S49-D51 PolarHBondContact O-N 3.38Å; D51-R53 PolarHBondContact O-N 2.89Å
52L36.5Very low35.4Very low160 Ų160122.5 Ų122.584%0.83871%0.712SS**  trans-68.879.4176-73.3170.8000109.1C50 G54C50-L52 HydrophobicContact CB-CG 4.45Å; C50-L52 PolarHBondContact O-N 3.07Å; L52-G54 PolarHBondContact O-N 3.14Å
53R39.1Very low36Very low199 Ų199119.8 Ų119.875%0.75170%0.698SS**  trans-67.478171.2-62.4-178.5-166.2-179.75.5108.8D51 V55D51-R53 PolarHBondContact O-N 2.89Å; R53-V55 PolarHBondContact O-N 3.5Å
54G36Very low36.5Very low74 Ų74113 Ų11376%0.76368%0.678SS**  trans-52.5113.2179.300000110.6L52L52-G54 PolarHBondContact O-N 3.14Å
55V38.3Very low37.7Very low71 Ų71108.2 Ų108.243%0.4364%0.644SS.*PPolyproline II helixtrans-69.8137.4176.3-177.40000108.1R53 Y59R53-V55 PolarHBondContact O-N 3.5Å; V55-Y59 HydrophobicContact CG1-CD2 4.01Å; V55-Y59 HydrophobicContact CG1-CE2 4.19Å
56G33.5Very low38.6Very low42 Ų42113.3 Ų113.343%0.43365%0.646SS.*PPolyproline II helixtrans-59.9164.3-167.100000115.6G58G56-G58 PolarHBondContact O-N 3.22Å
57P33.6Very low40.4Very low146 Ų146116.1 Ų116.195%0.94864%0.643SS**THydrogen-bonded Turntrans-55.8128-173.222.8-34.2000112
58G44Very low41.3Very low71 Ų71114.6 Ų114.673%0.73263%0.627SS**THydrogen-bonded Turntrans140.4-11.2-175.200000114.8G56G56-G58 PolarHBondContact O-N 3.22Å
59Y36.6Very low42.2Very low71 Ų71111.6 Ų111.628%0.27862%0.616SS.*  trans-122.9118.2174.5-55.1-88.3000110.1V55 S62 F70 R75V55-Y59 HydrophobicContact CG1-CD2 4.01Å; V55-Y59 HydrophobicContact CG1-CE2 4.19Å; Y59-S62 WeakPolarHBondContact CB-OG 3.3Å; Y59-F70 HydrophobicContact CE1-CZ 4.33Å; Y59-R75 HydrophobicContact CE1-CG 4.14Å; Y59-R75 PolarHBondContact OH-NE 3.47Å; Y59-R75 VanDerWaalsContact OH-NE 3.08Å; Y59-R75 PolarHBondContact OH-NH2 3.16Å
60E46.4Very low42.6Very low162 Ų162112 Ų11276%0.75761%0.605SS**SBendtrans-81-19.1-171.5-164166.3-158.600113.4K76E60-K76 IonicContact OE2-NZ 2.71Å; E60-K76 PolarHBondContact OE2-NZ 2.75Å
61K40.2Very low43.2Very low175 Ų175113.4 Ų113.476%0.76160%0.6SS**SBendtrans-154.6117.2159.2-89.9116.2-176.1178.40108.2
62S44.9Very low43.7Very low29 Ų29108.9 Ų108.920%0.20358%0.582CS.*EExtended strand (participates in β ladder)trans-148.9109.5168.160.80000109.5Y59Y59-S62 WeakPolarHBondContact CB-OG 3.3Å
63Y42.6Very low44Very low147 Ų147103.7 Ų103.758%0.57657%0.566SS**EExtended strand (participates in β ladder)trans-104.4158.2168.851.6-90.2000109.8K71Y63-K71 HydrophobicContact CE2-CD 4.43Å
64L37.6Very low44.1Very low97 Ų9799 Ų9951%0.50857%0.57SS.*EExtended strand (participates in β ladder)trans-90.8133.1163.7-68.1164.6000107.1F70L64-F70 HydrophobicContact CD2-CB 4.26Å; L64-F70 HydrophobicContact CD2-CD2 4.35Å
65D54.9Low44.4Very low36 Ų36103.7 Ų103.719%0.19357%0.565CS.*  trans-66162.6166.5-62.1-52.7000110D67 G68 H69 K71D65-D67 PolarHBondContact O-N 2.9Å; D65-D67 VanDerWaalsContact O-N 3.17Å; D65-G68 WeakPolarHBondContact O-CA 3.08Å; D65-G68 PolarHBondContact O-N 3.2Å; D65-H69 HydrophobicContact CB-CB 4.4Å; D65-H69 PolarHBondContact N-O 3.32Å; D65-K71 IonicContact OD1-NZ 3.92Å; D65-K71 PolarHBondContact OD1-NZ 2.74Å; D65-K71 VanDerWaalsContact OD2-CD 3.3Å; D65-K71 WeakPolarHBondContact OD2-CD 3.38Å; D65-K71 WeakPolarHBondContact OD2-CE 3.38Å; D65-K71 IonicContact OD2-NZ 2.66Å; D65-K71 PolarHBondContact OD2-NZ 3.36Å
66Y49.9Very low44.4Very low229 Ų229108.8 Ų108.890%0.89858%0.581SS**THydrogen-bonded Turntrans-56.3-31.7176.4-75.1-79.7000113.1G68Y66-G68 PolarHBondContact O-N 3.04Å; Y66-G68 VanDerWaalsContact O-N 3.17Å
67D64.1Low44.7Very low137 Ų137115.5 Ų115.573%0.73360%0.599SS**THydrogen-bonded Turntrans-77.413.8174.1-52.9-58.8000113.6D65 H69D65-D67 PolarHBondContact O-N 2.9Å; D65-D67 VanDerWaalsContact O-N 3.17Å; D67-H69 PolarHBondContact O-N 3.03Å; D67-H69 PolarHBondContact O-ND1 3.33Å
68G49.9Very low44.6Very low52 Ų52116.2 Ų116.254%0.53659%0.594SS.*  trans71.17.218000000115.3D65 Y66D65-G68 WeakPolarHBondContact O-CA 3.08Å; D65-G68 PolarHBondContact O-N 3.2Å; Y66-G68 PolarHBondContact O-N 3.04Å; Y66-G68 VanDerWaalsContact O-N 3.17Å
69H53.4Low44.1Very low128 Ų128117.1 Ų117.159%0.59359%0.587SS**  trans-77.7133.9-176.5-74.257.7000111.6D65 D67D65-H69 HydrophobicContact CB-CB 4.4Å; D65-H69 PolarHBondContact N-O 3.32Å; D67-H69 PolarHBondContact O-N 3.03Å; D67-H69 PolarHBondContact O-ND1 3.33Å
70F42Very low44.3Very low117 Ų117121.3 Ų121.351%0.51361%0.613SS.*EExtended strand (participates in β ladder)trans-88.8110.8-175.7176.9-96.9000112Y59 L64Y59-F70 HydrophobicContact CE1-CZ 4.33Å; L64-F70 HydrophobicContact CD2-CB 4.26Å; L64-F70 HydrophobicContact CD2-CD2 4.35Å
71K47.8Very low43.5Very low119 Ų119123.3 Ų123.352%0.51762%0.615SS.*EExtended strand (participates in β ladder)trans-107.762.3172.3-71.4177.4-177.6145.10111.2Y63 D65Y63-K71 HydrophobicContact CE2-CD 4.43Å; D65-K71 IonicContact OD1-NZ 3.92Å; D65-K71 PolarHBondContact OD1-NZ 2.74Å; D65-K71 VanDerWaalsContact OD2-CD 3.3Å; D65-K71 WeakPolarHBondContact OD2-CD 3.38Å; D65-K71 WeakPolarHBondContact OD2-CE 3.38Å; D65-K71 IonicContact OD2-NZ 2.66Å; D65-K71 PolarHBondContact OD2-NZ 3.36Å
72G46.1Very low43Very low25 Ų25123.7 Ų123.726%0.25862%0.619SS.*EExtended strand (participates in β ladder)trans-85.3130171.700000112.6
73G43Very low42.5Very low50 Ų50131 Ų13152%0.51565%0.647SS.*PPolyproline II helixtrans-61.4160.1175.200000113.9R75G73-R75 PolarHBondContact O-N 3.19Å
74A40.8Very low41.9Very low101 Ų101132.7 Ų132.784%0.83566%0.661SS**PPolyproline II helixtrans-60.3133.8-174.100000113K76A74-K76 PolarHBondContact O-N 2.68Å
75R42.1Very low41.6Very low172 Ų172133.8 Ų133.865%0.64967%0.666SS**PPolyproline II helixtrans-65.1119176.6-67.8-177.8179.8167.43.4110.7Y59 G73 F77Y59-R75 HydrophobicContact CE1-CG 4.14Å; Y59-R75 PolarHBondContact OH-NE 3.47Å; Y59-R75 VanDerWaalsContact OH-NE 3.08Å; Y59-R75 PolarHBondContact OH-NH2 3.16Å; G73-R75 PolarHBondContact O-N 3.19Å; R75-F77 PolarHBondContact O-N 2.71Å
76K39.7Very low40.5Very low178 Ų178137.6 Ų137.677%0.77470%0.695SS**  trans-72114.1164-65.3170.4-176.6163.20108E60 A74E60-K76 IonicContact OE2-NZ 2.71Å; E60-K76 PolarHBondContact OE2-NZ 2.75Å; A74-K76 PolarHBondContact O-N 2.68Å
77F39.3Very low39.8Very low184 Ų184134.6 Ų134.681%0.80769%0.689SS**PPolyproline II helixtrans-78.7133.2168.8-74.1-96.4000109R75R75-F77 PolarHBondContact O-N 2.71Å
78L32.5Very low38.1Very low160 Ų160137.4 Ų137.484%0.83870%0.698SS**PPolyproline II helixtrans-72.6137.6170.7-69.8170.1000109.5
79P32.9Very low37.4Very low90 Ų90144.1 Ų144.158%0.58471%0.713SS**PPolyproline II helixtrans-68.2135.2-177.627.3-34000111.6Y81P79-Y81 HydrophobicContact CB-CE2 4.49Å; P79-Y81 HydrophobicContact CG-CE2 3.96Å
80I40.8Very low36.2Very low160 Ų160147 Ų14782%0.82173%0.726SS**  trans-88.4110176.6-57.1174.6000108.2Q82I80-Q82 PolarHBondContact O-N 2.64Å
81Y29.9Very low35.7Very low203 Ų203147.6 Ų147.680%0.79673%0.733SS**  trans-81.1104.9175.7-66.8-91.8000110.3P79 K83P79-Y81 HydrophobicContact CB-CE2 4.49Å; P79-Y81 HydrophobicContact CG-CE2 3.96Å; Y81-K83 PolarHBondContact O-N 3.47Å
82Q29.4Very low34.8Very low183 Ų183148.5 Ų148.586%0.85575%0.749SS**  trans-77.4105.8165-77-175.5-39.300109.4I80 Q84I80-Q82 PolarHBondContact O-N 2.64Å; Q82-Q84 PolarHBondContact O-N 3.14Å
83K34Very low33.7Very low182 Ų182152.8 Ų152.879%0.79177%0.769SS**  trans-87.5103.9171-170.6-177.5-178.3-170.80108.6Y81Y81-K83 PolarHBondContact O-N 3.47Å
84Q29.5Very low33Very low184 Ų184160.4 Ų160.486%0.8679%0.788SS**  trans-69.4130.6170.8-69178.7-18.300109.1Q82Q82-Q84 PolarHBondContact O-N 3.14Å
85I32.5Very low32.1Very low119 Ų119157.8 Ų157.861%0.6177%0.772SS**  trans-115129.8170-61.7176.4000106.1E87I85-E87 HydrophobicContact CG2-CG 4Å; I85-E87 WeakPolarHBondContact CG2-OE1 3.39Å
86S30.5Very low31.2Very low116 Ų116151.1 Ų151.181%0.81176%0.756SS**  trans-113.7106179.854.10000108.6
87E35.2Very low30.4Very low167 Ų167145.5 Ų145.578%0.7874%0.743SS**  trans-119.2140.2177-76.7170.3-164.600109.8I85I85-E87 HydrophobicContact CG2-CG 4Å; I85-E87 WeakPolarHBondContact CG2-OE1 3.39Å
88E29.5Very low29.8Very low195 Ų195146 Ų14691%0.91175%0.745SS**  trans-95.1130.8-161-60.9-178.7134.700110.5E90E88-E90 PolarHBondContact O-N 3.24Å
89K34.2Very low29.5Very low194 Ų194145.5 Ų145.584%0.84374%0.738SS**  trans-88.797.7-175.7-68-172.1178.1-174.10111.4
90E29.2Very low29.2Very low187 Ų187147.8 Ų147.887%0.87474%0.741SS**  trans-92.1127.9158.5-166.1163.7-132.400109.2E88E88-E90 PolarHBondContact O-N 3.24Å
91I30Very low28.7Very low131 Ų131144.5 Ų144.567%0.67272%0.721SS**  trans-131116.4-174.9-59176.7000109.3V93I91-V93 HydrophobicContact CG2-CG2 4.16Å
92V29.1Very low28.6Very low138 Ų138140 Ų14084%0.83671%0.705SS**  trans-119.2141.7172.7-178.90000108.7
93V24.4Very low28.9Very low114 Ų114132.6 Ų132.669%0.69167%0.671SS**  trans-125.2128.3-164.31780000112.2I91I91-V93 HydrophobicContact CG2-CG2 4.16Å
94K26.6Very low28.6Very low210 Ų210129 Ų12991%0.91367%0.666SS**  trans161.7138.2149.9-87.3146.5-168.51730110.1
95G22.9Very low28.4Very low47 Ų47127.4 Ų127.449%0.48565%0.652SS.*  cis148.4141.6-17.100000115.8
96G22.3Very low28.3Very low31 Ų31128.5 Ų128.532%0.3266%0.655SS.*  trans112.2125.615900000120.7V156 V158G96-V156 CarbonylContact O-C 2.86Å; G96-V156 WeakPolarHBondContact O-CB 3.38Å; G96-V156 WeakPolarHBondContact O-CG1 3.39Å; G96-V158 WeakPolarHBondContact O-CG2 3.41Å; G96-V158 PolarHBondContact O-N 3Å
97A22.8Very low28.2Very low61 Ų61131.3 Ų131.350%0.50465%0.652SS.*  trans60.4155.1142.800000122.8V158A97-V158 HydrophobicContact CB-CG2 4.25Å
98K27.6Very low28.4Very low194 Ų194135.3 Ų135.384%0.84366%0.66SS**  cis-176.1178.3-32.5-142-177.8-176.8-173.20110
99E26.6Very low28.3Very low150 Ų150132.4 Ų132.470%0.70166%0.656SS**  trans70.4156.9166.7-67.4-176.9152.200117.9
100E26.8Very low27.9Very low137 Ų137129.6 Ų129.664%0.6466%0.659SS**  cis-146.9-145.3-41.1-143.6-165.8-141.600111.1K165E100-K165 WeakPolarHBondContact OE2-CA 3.4Å
101K30Very low27.6Very low91 Ų91124.2 Ų124.240%0.39665%0.654SS.*  trans-135.3157.6-152.1-94-174.5145.5-163.20117.1K165 E166 E167 E168K101-K165 CarbonylContact O-C 3.42Å; K101-K165 VanDerWaalsContact O-CA 3.25Å; K101-K165 WeakPolarHBondContact O-CA 3.49Å; K101-K165 PolarHBondContact O-N 2.72Å; K101-E166 PolarHBondContact O-N 3.17Å; K101-E166 VanDerWaalsContact O-N 3.14Å; K101-E167 HydrophobicContact CB-CB 3.59Å; K101-E167 HydrophobicContact CD-CB 3.77Å; K101-E167 WeakPolarHBondContact CE-O 3.37Å; K101-E167 HydrophobicContact CG-CB 3.69Å; K101-E167 PolarHBondContact NZ-O 2.86Å; K101-E168 IonicContact NZ-OE1 2.59Å; K101-E168 PolarHBondContact NZ-OE1 3.41Å
102K28.5Very low27.6Very low109 Ų109121.9 Ų121.947%0.47466%0.662SS.*  trans-157.7134.6167.6-147.153.4-105.3143.40113.1K165 E166 E167K102-K165 WeakPolarHBondContact CD-O 3.07Å; K102-K165 PolarHBondContact NZ-O 3.45Å; K102-E166 WeakPolarHBondContact CA-O 3.28Å; K102-E166 WeakPolarHBondContact CE-O 3.39Å; K102-E166 PolarHBondContact N-O 2.66Å; K102-E166 PolarHBondContact NZ-O 3.07Å; K102-E166 IonicContact NZ-OE2 2.68Å; K102-E166 PolarHBondContact NZ-OE2 3.23Å; K102-E167 VanDerWaalsContact C-OE1 3.27Å
103E35.4Very low27.6Very low28 Ų28125.8 Ų125.813%0.13167%0.668CS.*  cis102.746.60.9-63.3-126.9172.700118.1R105 E166 E167 E168 K169E103-R105 VanDerWaalsContact CD-N 3.3Å; E103-R105 VanDerWaalsContact OE1-CG 3.28Å; E103-R105 WeakPolarHBondContact OE1-CG 3.43Å; E103-R105 PolarHBondContact OE1-N 3.37Å; E103-E166 WeakPolarHBondContact CA-O 3.5Å; E103-E167 VanDerWaalsContact CB-OE1 3.31Å; E103-E167 WeakPolarHBondContact CB-OE1 3.25Å; E103-E167 WeakPolarHBondContact CG-OE1 3.4Å; E103-E167 PolarHBondContact N-OE1 3.46Å; E103-E168 WeakPolarHBondContact CG-O 3.42Å; E103-K169 VanDerWaalsContact CD-NZ 3.26Å; E103-K169 WeakPolarHBondContact OE1-CB 3.46Å; E103-K169 WeakPolarHBondContact OE1-CD 3.43Å; E103-K169 IonicContact OE1-NZ 2.72Å; E103-K169 WeakPolarHBondContact OE2-CE 3.32Å; E103-K169 IonicContact OE2-NZ 3.55Å; E103-K169 PolarHBondContact OE2-NZ 3.01Å
104P27.5Very low27.9Very low105 Ų105123.9 Ų123.968%0.68267%0.671SS**  -152142.1111.635.4-17000117.4
105R25.6Very low28.3Very low151 Ų151119.1 Ų119.157%0.5766%0.663SS**  trans-9.2151.1131.3-88.7157119.5176.2-4.1116E103 K169E103-R105 VanDerWaalsContact CD-N 3.3Å; E103-R105 VanDerWaalsContact OE1-CG 3.28Å; E103-R105 WeakPolarHBondContact OE1-CG 3.43Å; E103-R105 PolarHBondContact OE1-N 3.37Å; R105-K169 HydrophobicContact CG-CD 4.46Å
106E28.7Very low29.1Very low143 Ų143123.1 Ų123.167%0.66867%0.673SS**  cis-154.3-172.325.3-150.9149.2-133.800113.8
107K29.2Very low29.9Very low174 Ų174129 Ų12976%0.75770%0.696SS**  trans-66.8147.8-174-51.4162.6-172.6163.90113.4
108R39.1Very low30.7Very low252 Ų252135.8 Ų135.895%0.95171%0.709SS**  trans-127.2118.3145.1-76.5-174172.7170.6-1.1110.3
109T27Very low31Very low133 Ų133130.1 Ų130.182%0.81671%0.705SS**  trans-121.692.7176.647.60000110.7
110C26.6Very low31.7Very low135 Ų135128.1 Ų128.191%0.91270%0.703SS**  trans-168142162.7-164.30000106.7
111G23.5Very low32Very low74 Ų74123.6 Ų123.676%0.76369%0.693SS**  cis163.7121.2-6.300000109.1
112G29.4Very low32.2Very low82 Ų82126.3 Ų126.385%0.84572%0.72SS**  trans-172.4125-176.900000111.1
113K30Very low32.8Very low221 Ų221124.7 Ų124.796%0.96174%0.735SS**  trans-96.3146176.6-68.7175.6178.1174.70109.7
114G29.7Very low32.8Very low73 Ų73130.2 Ų130.275%0.75376%0.756SS**  trans9384.2152.600000116.7
115C35.8Very low33.5Very low111 Ų111132.7 Ų132.775%0.7576%0.758SS**  trans-162.6100.6142.3-106.20000108L117C115-L117 PolarHBondContact O-N 3.23Å
116D40Very low34.1Very low130 Ų130132.4 Ų132.470%0.69576%0.761SS**  trans-75.942.1179.1-99.8-84.4000112.7R118D116-R118 PolarHBondContact O-N 3.22Å; D116-R118 IonicContact OD1-CZ 2.83Å; D116-R118 IonicContact OD1-NE 3.36Å; D116-R118 PolarHBondContact OD1-NE 3.02Å; D116-R118 IonicContact OD1-NH2 2.93Å; D116-R118 PolarHBondContact OD1-NH2 3.43Å
117L38.4Very low34.7Very low154 Ų154129.1 Ų129.181%0.80675%0.754SS**  trans-73.873.1171.9-70.5177.6000110.2C115 G119C115-L117 PolarHBondContact O-N 3.23Å; L117-G119 PolarHBondContact O-N 2.77Å
118R38.9Very low35.3Very low205 Ų205130 Ų13077%0.77475%0.754SS**  trans-72.571.3166.2-61.6-179.4-162.7-119.8-4.8109.3D116 V120D116-R118 PolarHBondContact O-N 3.22Å; D116-R118 IonicContact OD1-CZ 2.83Å; D116-R118 IonicContact OD1-NE 3.36Å; D116-R118 PolarHBondContact OD1-NE 3.02Å; D116-R118 IonicContact OD1-NH2 2.93Å; D116-R118 PolarHBondContact OD1-NH2 3.43Å; R118-V120 PolarHBondContact O-N 2.72Å
119G33.7Very low35Very low74 Ų74124.8 Ų124.876%0.76374%0.744SS**  trans-55.9106.9167.600000109L117 G121L117-G119 PolarHBondContact O-N 2.77Å; G119-G121 PolarHBondContact O-N 3.49Å
120V41.1Very low35.8Very low108 Ų108122.9 Ų122.966%0.65573%0.728SS**PPolyproline II helixtrans-67.2127.9172.2-178.30000106.8R118 Y124R118-V120 PolarHBondContact O-N 2.72Å; V120-Y124 HydrophobicContact CG1-CD2 3.77Å; V120-Y124 HydrophobicContact CG1-CE2 4.39Å; V120-Y124 HydrophobicContact CG1-CG 4.33Å
121G33.9Very low36.9Very low43 Ų43128.5 Ų128.544%0.44373%0.732SS.*PPolyproline II helixtrans-59.9161.2-166.600000114.9G119 G123G119-G121 PolarHBondContact O-N 3.49Å; G121-G123 PolarHBondContact O-N 2.74Å
122P33.6Very low38.2Very low147 Ų147129 Ų12996%0.95573%0.729SS**THydrogen-bonded Turntrans-55.7126.9-178.224.2-34.3000110.9
123G41Very low38.9Very low76 Ų76127.9 Ų127.978%0.78472%0.718SS**THydrogen-bonded Turntrans134.5-12.1-174.200000114.9G121G121-G123 PolarHBondContact O-N 2.74Å
124Y36.9Very low39.7Very low144 Ų144125.1 Ų125.157%0.56571%0.706SS**  trans-117.599.9172.8-65.5-85.3000111.3V120 K126V120-Y124 HydrophobicContact CG1-CD2 3.77Å; V120-Y124 HydrophobicContact CG1-CE2 4.39Å; V120-Y124 HydrophobicContact CG1-CG 4.33Å; Y124-K126 PolarHBondContact O-N 3.27Å
125E40.7Very low40.3Very low157 Ų157129.7 Ų129.773%0.73471%0.705SS**  trans-70.2121.9159.5-83.3-151.190.400110.1S127E125-S127 PolarHBondContact O-N 3.39Å
126K39.6Very low40.7Very low145 Ų145133.1 Ų133.163%0.6371%0.708SS**  trans57.545.3148.7-61.5166.9-176139.50116.5Y124 Y128Y124-K126 PolarHBondContact O-N 3.27Å; K126-Y128 HydrophobicContact CB-CD2 4.36Å; K126-Y128 HydrophobicContact CB-CE2 3.78Å; K126-Y128 HydrophobicContact CG-CE2 4.07Å; K126-Y128 PolarHBondContact O-N 3.25Å
127S40.1Very low41.1Very low74 Ų74128.7 Ų128.752%0.51769%0.693SS.*  trans-84.991161.763.20000111E125E125-S127 PolarHBondContact O-N 3.39Å
128Y42.9Very low41.4Very low192 Ų192124.9 Ų124.975%0.75369%0.691SS**  trans-82.7155.4172.1-61.6-81000111.6K126K126-Y128 HydrophobicContact CB-CD2 4.36Å; K126-Y128 HydrophobicContact CB-CE2 3.78Å; K126-Y128 HydrophobicContact CG-CE2 4.07Å; K126-Y128 PolarHBondContact O-N 3.25Å
129L31.7Very low41.5Very low143 Ų143120.1 Ų120.175%0.74970%0.695SS**  trans-97.2112.6171.8-84163.2000109.5
130D44.5Very low41.9Very low92 Ų92126.2 Ų126.249%0.49270%0.695SS.*  trans-60.2140.3166.4-72.8-19.1000109.6A132 G133D130-A132 PolarHBondContact O-N 3.29Å; D130-G133 PolarHBondContact O-N 3.33Å
131Y49.1Very low42Very low254 Ų254130.9 Ų130.9100%0.99671%0.706SS**THydrogen-bonded Turntrans-56.2-18.2-176.4-121.7-93.7000114.5
132A51.7Low42.6Very low84 Ų84138.2 Ų138.269%0.69473%0.726SS**THydrogen-bonded Turntrans-91.49.4176.100000114.5D130 K134D130-A132 PolarHBondContact O-N 3.29Å; A132-K134 PolarHBondContact O-N 3.26Å
133G44.2Very low42.7Very low59 Ų59138.7 Ų138.761%0.60872%0.72SS**  trans72.413.5167.100000117D130D130-G133 PolarHBondContact O-N 3.33Å
134K47.1Very low42.6Very low162 Ų162139.4 Ų139.470%0.70471%0.711SS**  trans-97.2110.9-177.9-69.7-178.5-179.3176.60111.8A132 K136A132-K134 PolarHBondContact O-N 3.26Å; K134-K136 PolarHBondContact O-N 3.19Å
135F42.1Very low43.1Very low169 Ų169140.3 Ų140.374%0.74172%0.724SS**  trans-69118.4-179.4-177.5-94.4000112.6
136K43.7Very low42.6Very low184 Ų184142.2 Ų142.280%0.873%0.726SS**  trans-114.650.8173.4-70.9179.3177.9168.40112.3K134K134-K136 PolarHBondContact O-N 3.19Å
137G49Very low42.2Very low37 Ų37143.6 Ų143.638%0.38173%0.734SS.*PPolyproline II helixtrans-81.3130.7172.500000112.4
138G43.3Very low41.9Very low74 Ų74148.5 Ų148.576%0.76375%0.746SS**PPolyproline II helixtrans-64.3161.2179.600000114.5R140G138-R140 PolarHBondContact O-N 3.13Å
139A40.9Very low41.4Very low104 Ų104147.4 Ų147.486%0.8675%0.748SS**PPolyproline II helixtrans-62.5131-174.700000112.9K141A139-K141 PolarHBondContact O-N 3.12Å
140R42Very low41.4Very low203 Ų203145.1 Ų145.177%0.76674%0.74SS**PPolyproline II helixtrans-62.1119.4175.3-75.6179.3165.6-177.2-5.9111G138G138-R140 PolarHBondContact O-N 3.13Å
141K43.7Very low40.8Very low205 Ų205145.4 Ų145.489%0.89175%0.749SS**PPolyproline II helixtrans-75.6127.7157.9-64.8-178.1-179.2179.20108A139A139-K141 PolarHBondContact O-N 3.12Å
142F45.8Very low40Very low197 Ų197140.8 Ų140.886%0.86474%0.736SS**PPolyproline II helixtrans-74.9124.8170.1-71.6-96.8000108.6
143L35.6Very low39Very low157 Ų157145 Ų14582%0.82274%0.742SS**PPolyproline II helixtrans-71.1140.5163.4-71.1174.3000108.7I145L143-I145 PolarHBondContact O-N 3.26Å
144P40.8Very low38.5Very low91 Ų91149 Ų14959%0.59175%0.749SS**PPolyproline II helixtrans-56.3136.6176.1-25.735.1000111.8Y146P144-Y146 HydrophobicContact CB-CD2 4.48Å; P144-Y146 HydrophobicContact CB-CE2 4.15Å; P144-Y146 WeakPolarHBondContact O-CD2 3.18Å; P144-Y146 PolarHBondContact O-N 3.17Å
145I46.9Very low37.7Very low164 Ų164149.7 Ų149.784%0.84176%0.755SS**  trans-79.192.4172.7-56.2175.7000107.2L143 Q147L143-I145 PolarHBondContact O-N 3.26Å; I145-Q147 PolarHBondContact O-N 3.08Å
146Y30.4Very low37.3Very low197 Ų197144.6 Ų144.677%0.77374%0.738SS**  trans-64.5115.7166.1-68.3-90.9000108.4P144 K148P144-Y146 HydrophobicContact CB-CD2 4.48Å; P144-Y146 HydrophobicContact CB-CE2 4.15Å; P144-Y146 WeakPolarHBondContact O-CD2 3.18Å; P144-Y146 PolarHBondContact O-N 3.17Å; Y146-K148 PolarHBondContact O-N 3.09Å
147Q31Very low36.8Very low173 Ų173141.7 Ų141.781%0.80874%0.735SS**  trans-68.6100.4165.1-73.8179.1-95.600107.4I145 E149I145-Q147 PolarHBondContact O-N 3.08Å; Q147-E149 PolarHBondContact O-N 3Å
148K33.2Very low36Very low177 Ų177144.1 Ų144.177%0.7774%0.742SS**  trans-82.489.1170.1-169.3-176.6-177.6-1730108.1Y146 V150Y146-K148 PolarHBondContact O-N 3.09Å; K148-V150 HydrophobicContact CD-CG2 4.24Å; K148-V150 HydrophobicContact CG-CG2 4.14Å; K148-V150 PolarHBondContact O-N 3.49Å
149E33.1Very low35.4Very low170 Ų170150.1 Ų150.179%0.79475%0.747SS**  trans-62.5122.6161.1-65.2-173168.300107.4Q147Q147-E149 PolarHBondContact O-N 3Å
150V31Very low34.6Very low94 Ų94149.3 Ų149.357%0.5775%0.749SS**  trans-101.792.3177.9-175.50000106.8K148 E152K148-V150 HydrophobicContact CD-CG2 4.24Å; K148-V150 HydrophobicContact CG-CG2 4.14Å; K148-V150 PolarHBondContact O-N 3.49Å; V150-E152 HydrophobicContact CG1-CG 3.86Å; V150-E152 PolarHBondContact O-N 3.13Å; V150-E152 VanDerWaalsContact O-N 3.14Å
151S32.3Very low33.8Very low99 Ų99143.1 Ų143.169%0.69275%0.749SS**  trans-70.697.4165.749.30000108.5E153S151-E153 PolarHBondContact O-N 3.36Å; S151-E153 VanDerWaalsContact O-N 3.07Å
152E32.5Very low32.8Very low156 Ų156139.6 Ų139.673%0.72975%0.748SS**  trans-75.295.1173.5-65.3-171.2158.800109.4V150 N154V150-E152 HydrophobicContact CG1-CG 3.86Å; V150-E152 PolarHBondContact O-N 3.13Å; V150-E152 VanDerWaalsContact O-N 3.14Å; E152-N154 PolarHBondContact O-N 3.2Å; E152-N154 VanDerWaalsContact O-N 3.13Å; E152-N154 PolarHBondContact O-ND2 3.34Å
153E30.3Very low31.9Very low172 Ų172133.4 Ų133.480%0.80474%0.739SS**  trans-63.6109.5177.7-67.9174.7146.700109.9S151 E155S151-E153 PolarHBondContact O-N 3.36Å; S151-E153 VanDerWaalsContact O-N 3.07Å; E153-E155 PolarHBondContact O-N 3.26Å
154N33.1Very low31.7Very low143 Ų143129.7 Ų129.777%0.76573%0.732SS**  trans-82.662.4-179.1-85-108.2000111.1E152 V156E152-N154 PolarHBondContact O-N 3.2Å; E152-N154 VanDerWaalsContact O-N 3.13Å; E152-N154 PolarHBondContact O-ND2 3.34Å; N154-V156 WeakPolarHBondContact O-CG2 3.31Å
155E31Very low31.1Very low178 Ų178132.5 Ų132.583%0.83274%0.735SS**  trans-71.5128.3160.1-71.8-149.8139.700109.5E153E153-E155 PolarHBondContact O-N 3.26Å
156V33.9Very low30.2Very low62 Ų62129.1 Ų129.138%0.37672%0.715SS.*  trans-134.9119.4-177-129.70000108.8G96 N154G96-V156 CarbonylContact O-C 2.86Å; G96-V156 WeakPolarHBondContact O-CB 3.38Å; G96-V156 WeakPolarHBondContact O-CG1 3.39Å; N154-V156 WeakPolarHBondContact O-CG2 3.31Å
157V33.8Very low30.2Very low122 Ų122123 Ų12374%0.73969%0.694SS**  trans-108.991.4-166.5-177.90000110.5K159V157-K159 PolarHBondContact O-N 2.62Å; V157-K159 VanDerWaalsContact O-N 3.08Å
158V30.6Very low30.1Very low89 Ų89120.6 Ų120.654%0.53968%0.682SS.*  trans-69.5103170.3-169.60000110.3G96 A97G96-V158 WeakPolarHBondContact O-CG2 3.41Å; G96-V158 PolarHBondContact O-N 3Å; A97-V158 HydrophobicContact CB-CG2 4.25Å
159K30.9Very low29.9Very low200 Ų200116.2 Ų116.287%0.8766%0.664SS**  trans-166.589.4145.9-108.9157.7-172.21780114.6V157V157-K159 PolarHBondContact O-N 2.62Å; V157-K159 VanDerWaalsContact O-N 3.08Å
160G25.1Very low29.8Very low86 Ų86115.8 Ų115.889%0.88766%0.659SS**  trans41.8105.6143.500000120.6
161G24Very low29.7Very low74 Ų74119.1 Ų119.176%0.76367%0.668SS**  trans-162107.5160.200000110.4
162C23.4Very low29.9Very low131 Ų131120.6 Ų120.689%0.88568%0.676SS**  trans-94122.9-171.5-176.20000112
163G27.5Very low29.8Very low66 Ų66124.8 Ų124.868%0.6869%0.685SS**  trans166.3114.9168.200000117.8
164A30.2Very low30Very low80 Ų80124.1 Ų124.166%0.66168%0.682SS**  trans73.7138.2160.200000120.2
165K28.2Very low30.2Very low150 Ų150127.1 Ų127.165%0.65269%0.688SS**  180118.7-68.8172.5179.5176.2179.80110.8E100 K101 K102E100-K165 WeakPolarHBondContact OE2-CA 3.4Å; K101-K165 CarbonylContact O-C 3.42Å; K101-K165 VanDerWaalsContact O-CA 3.25Å; K101-K165 WeakPolarHBondContact O-CA 3.49Å; K101-K165 PolarHBondContact O-N 2.72Å; K102-K165 WeakPolarHBondContact CD-O 3.07Å; K102-K165 PolarHBondContact NZ-O 3.45Å
166E29.6Very low30.2Very low92 Ų92128.7 Ų128.743%0.4369%0.686SS.*  trans64.5123.3177.6174.5-91.9166.400118.9K101 K102 E103 K169K101-E166 PolarHBondContact O-N 3.17Å; K101-E166 VanDerWaalsContact O-N 3.14Å; K102-E166 WeakPolarHBondContact CA-O 3.28Å; K102-E166 WeakPolarHBondContact CE-O 3.39Å; K102-E166 PolarHBondContact N-O 2.66Å; K102-E166 PolarHBondContact NZ-O 3.07Å; K102-E166 IonicContact NZ-OE2 2.68Å; K102-E166 PolarHBondContact NZ-OE2 3.23Å; E103-E166 WeakPolarHBondContact CA-O 3.5Å; E166-K169 IonicContact OE1-NZ 2.99Å
167E30.1Very low30.2Very low68 Ų68132.3 Ų132.332%0.31871%0.713SS.*  trans-137.6139.1174.3157.746.616.400109.5K101 K102 E103 K169K101-E167 HydrophobicContact CB-CB 3.59Å; K101-E167 HydrophobicContact CD-CB 3.77Å; K101-E167 WeakPolarHBondContact CE-O 3.37Å; K101-E167 HydrophobicContact CG-CB 3.69Å; K101-E167 PolarHBondContact NZ-O 2.86Å; K102-E167 VanDerWaalsContact C-OE1 3.27Å; E103-E167 VanDerWaalsContact CB-OE1 3.31Å; E103-E167 WeakPolarHBondContact CB-OE1 3.25Å; E103-E167 WeakPolarHBondContact CG-OE1 3.4Å; E103-E167 PolarHBondContact N-OE1 3.46Å; E167-K169 PolarHBondContact OE2-N 2.97Å
168E28.6Very low30.1Very low123 Ų123132.2 Ų132.258%0.57572%0.717SS**  trans174.2136.7151-119.1145.3-122.400109.9K101 E103K101-E168 IonicContact NZ-OE1 2.59Å; K101-E168 PolarHBondContact NZ-OE1 3.41Å; E103-E168 WeakPolarHBondContact CG-O 3.42Å
169K28.3Very low30Very low86 Ų86131.7 Ų131.737%0.37473%0.73SS.*  trans165.7148.5146-90.4152.8-130.788.10110.8E103 R105 E166 E167E103-K169 VanDerWaalsContact CD-NZ 3.26Å; E103-K169 WeakPolarHBondContact OE1-CB 3.46Å; E103-K169 WeakPolarHBondContact OE1-CD 3.43Å; E103-K169 IonicContact OE1-NZ 2.72Å; E103-K169 WeakPolarHBondContact OE2-CE 3.32Å; E103-K169 IonicContact OE2-NZ 3.55Å; E103-K169 PolarHBondContact OE2-NZ 3.01Å; R105-K169 HydrophobicContact CG-CD 4.46Å; E166-K169 IonicContact OE1-NZ 2.99Å; E167-K169 PolarHBondContact OE2-N 2.97Å
170K31.6Very low29.8Very low161 Ų161125.4 Ų125.470%0.772%0.722SS**  cis-159.4168.5-5.1-135.4169-167.4167.80112.2
171E28.3Very low30.1Very low163 Ų163130.5 Ų130.576%0.76272%0.72SS**  trans-65.2147.3-178.5-51145.6114.800114.5R173E171-R173 PolarHBondContact O-N 2.99Å
172P36.2Very low30.6Very low131 Ų131132.1 Ų132.185%0.85172%0.72SS**  trans-80.1110.4171.131.7-32.4000111.8
173R32.2Very low31.2Very low243 Ų243130.9 Ų130.992%0.91771%0.711SS**  trans-67.1154177-89.4-175.4170.8-177.6-3.8114.2E171E171-R173 PolarHBondContact O-N 2.99Å
174E32.8Very low31.7Very low159 Ų159134.6 Ų134.674%0.74372%0.715SS**  trans-48.1140.3175.8-50.7174.5134.800114.2
175K38.7Very low32.2Very low205 Ų205137.8 Ų137.889%0.89172%0.721SS**  trans-96.2104.7161.9-73.4-176.8177.7178.60109.7
176R30.3Very low32.7Very low212 Ų212140.9 Ų140.980%0.873%0.728SS**  trans-74.7123.4168.1-63.9179.3-177.5179.9-1.8109.3S178R176-S178 PolarHBondContact O-N 3.28Å
177C34.8Very low33.2Very low138 Ų138140 Ų14093%0.93274%0.743SS**  trans-82.2100.1166.9-73.10000109.4
178S31.9Very low33.7Very low119 Ų119139.9 Ų139.983%0.83275%0.747SS**  trans-90.7124.1172.452.70000111.3R176R176-S178 PolarHBondContact O-N 3.28Å
179G27.1Very low34Very low78 Ų78136 Ų13680%0.80474%0.74SS**  trans122.4120.9159.700000116.3
180G27Very low34.4Very low69 Ų69138.9 Ų138.971%0.71177%0.768SS**  trans86.886.5137.800000119.6
181K30.5Very low35Very low193 Ų193134.5 Ų134.584%0.83977%0.768SS**SBendtrans66.5121.4150-55.3-179.3-179.6-178.70118C183K181-C183 PolarHBondContact O-N 3.34Å
182S36.3Very low35.5Very low108 Ų108130.1 Ų130.176%0.75575%0.745SS**  trans44.454.1157.959.30000117.1D184S182-D184 VanDerWaalsContact C-N 3.27Å; S182-D184 PolarHBondContact O-N 3.37Å
183C34.2Very low35.8Very low105 Ų105131.2 Ų131.271%0.70974%0.739SS**  trans-84.965.6165.6-75.50000111.2K181 L185K181-C183 PolarHBondContact O-N 3.34Å; C183-L185 PolarHBondContact O-N 3.09Å
184D39.3Very low36.2Very low143 Ų143127.7 Ų127.777%0.76573%0.73SS**  trans-70.221.7170.2-71.8-74.7000113.5S182 R186S182-D184 VanDerWaalsContact C-N 3.27Å; S182-D184 PolarHBondContact O-N 3.37Å; D184-R186 VanDerWaalsContact C-N 3.29Å; D184-R186 PolarHBondContact O-N 3.16Å
185L40.7Very low36.9Very low148 Ų148121.4 Ų121.478%0.77570%0.704SS**  trans-65.390167-65.7177.2000108.6C183 G187C183-L185 PolarHBondContact O-N 3.09Å; L185-G187 PolarHBondContact O-N 3.43Å
186R38.9Very low37.3Very low215 Ų215119.6 Ų119.681%0.81169%0.693SS**  trans-60.979166.1-65.1-178.2-177.7-178.11.6109.4D184 V188D184-R186 VanDerWaalsContact C-N 3.29Å; D184-R186 PolarHBondContact O-N 3.16Å; R186-V188 PolarHBondContact O-N 2.91Å
187G38.9Very low37.7Very low72 Ų72113.9 Ų113.974%0.74268%0.677SS**  trans-60101.3-178.100000110.4L185 G189L185-G187 PolarHBondContact O-N 3.43Å; G187-G189 PolarHBondContact O-N 2.95Å
188V40.2Very low38.8Very low66 Ų66109.9 Ų109.940%0.465%0.647SS.*PPolyproline II helixtrans-59.4129.8173.8-172.90000107.6R186 Y192 F203R186-V188 PolarHBondContact O-N 2.91Å; V188-Y192 HydrophobicContact CB-CD2 4.44Å; V188-Y192 HydrophobicContact CG1-CD2 3.55Å; V188-Y192 HydrophobicContact CG1-CE2 3.69Å; V188-Y192 HydrophobicContact CG1-CG 4.36Å; V188-F203 HydrophobicContact CG2-CE2 4.41Å
189G35.6Very low39.9Very low41 Ų41115.9 Ų115.942%0.42365%0.653SS.*PPolyproline II helixtrans-56.9161.9-164.900000115.4G187 G191G187-G189 PolarHBondContact O-N 2.95Å; G189-G191 PolarHBondContact O-N 3.32Å; G189-G191 VanDerWaalsContact O-N 3.13Å
190P36.2Very low41.7Very low148 Ų148118.7 Ų118.796%0.96165%0.649SS**THydrogen-bonded Turntrans-53.8119.2-173.322.2-33.8000111.6
191G45.7Very low43Very low69 Ų69117.9 Ų117.971%0.71164%0.641SS**THydrogen-bonded Turntrans149.9-19.5-173.400000114.3G189G189-G191 PolarHBondContact O-N 3.32Å; G189-G191 VanDerWaalsContact O-N 3.13Å
192Y37.3Very low44.4Very low71 Ų71114.7 Ų114.728%0.27863%0.629SS.*  trans-112.3109.2176.9-57.8-90.4000111.3V188 K194 F203 R208V188-Y192 HydrophobicContact CB-CD2 4.44Å; V188-Y192 HydrophobicContact CG1-CD2 3.55Å; V188-Y192 HydrophobicContact CG1-CE2 3.69Å; V188-Y192 HydrophobicContact CG1-CG 4.36Å; Y192-K194 PolarHBondContact O-N 2.93Å; Y192-F203 HydrophobicContact CD1-CZ 4.16Å; Y192-F203 HydrophobicContact CE1-CZ 4.03Å; Y192-R208 HydrophobicContact CE1-CG 4.02Å; Y192-R208 PolarHBondContact OH-NE 3.38Å; Y192-R208 PolarHBondContact OH-NH2 3.05Å; Y192-R208 VanDerWaalsContact OH-NH2 3.07Å
193E43Very low44.9Very low153 Ų153114.5 Ų114.572%0.71562%0.615SS**THydrogen-bonded Turntrans-70.4114.7161.7-76.4177.891.800108.9K209E193-K209 IonicContact OE2-NZ 2.67Å; E193-K209 PolarHBondContact OE2-NZ 3.28Å
194K41.9Very low45.8Very low169 Ų169116.8 Ų116.874%0.73561%0.613SS**THydrogen-bonded Turntrans58.955.7172-56.8178.7-178.7-179.10115Y192 Y196Y192-K194 PolarHBondContact O-N 2.93Å; K194-Y196 HydrophobicContact CB-CE2 3.99Å
195S46.3Very low46.4Very low27 Ų27111 Ų11119%0.18959%0.587CS.*  trans-87.2114.2157.758.40000110.3
196Y48.3Very low46.8Very low167 Ų167106.6 Ų106.666%0.65558%0.577SS**PPolyproline II helixtrans-102.5156.6166.3-59.1-85000109.5K194K194-Y196 HydrophobicContact CB-CE2 3.99Å
197L37.1Very low46.9Very low92 Ų92101.3 Ų101.348%0.48258%0.579SS.*BIsolated β-bridgetrans-94.7133.3163.7-72.1165000107.4F203L197-F203 HydrophobicContact CD2-CB 4.45Å
198D58.5Low47.2Very low55 Ų55106.4 Ų106.429%0.29458%0.576SS.*PPolyproline II helixtrans-69.8162.9165.6-65.3-18.6000109.9D200 G201 H202 K204D198-D200 PolarHBondContact O-N 2.86Å; D198-D200 VanDerWaalsContact O-N 3.16Å; D198-G201 WeakPolarHBondContact O-CA 3.44Å; D198-G201 PolarHBondContact O-N 2.83Å; D198-H202 PolarHBondContact N-O 3.41Å; D198-K204 WeakPolarHBondContact OD2-CD 3.39Å; D198-K204 WeakPolarHBondContact OD2-CE 3.23Å; D198-K204 IonicContact OD2-NZ 2.64Å; D198-K204 PolarHBondContact OD2-NZ 3.32Å
199Y54.6Low47.6Very low245 Ų245110.7 Ų110.796%0.96159%0.589SS**THydrogen-bonded Turntrans-56-32.4179.5-77.2-85000113.3G201Y199-G201 PolarHBondContact O-N 3.37Å; Y199-G201 VanDerWaalsContact O-N 3.15Å
200D65.9Low48.1Very low136 Ų136118 Ų11873%0.72761%0.61SS**THydrogen-bonded Turntrans-76.912.2174.9-49.3-61.5000113.7D198 H202D198-D200 PolarHBondContact O-N 2.86Å; D198-D200 VanDerWaalsContact O-N 3.16Å; D200-H202 PolarHBondContact O-N 3Å; D200-H202 PolarHBondContact O-ND1 3.16Å
201G54.1Low48.3Very low52 Ų52118.2 Ų118.254%0.53660%0.602SS.*  trans71.18179.600000115.2D198 Y199D198-G201 WeakPolarHBondContact O-CA 3.44Å; D198-G201 PolarHBondContact O-N 2.83Å; Y199-G201 PolarHBondContact O-N 3.37Å; Y199-G201 VanDerWaalsContact O-N 3.15Å
202H58.9Low48.2Very low126 Ų126119 Ų11958%0.58360%0.595SS**  trans-80.1130.5-176.2-74.345.1000111.6D198 D200 K204D198-H202 PolarHBondContact N-O 3.41Å; D200-H202 PolarHBondContact O-N 3Å; D200-H202 PolarHBondContact O-ND1 3.16Å; H202-K204 PolarHBondContact O-N 2.92Å
203F47.3Very low48.5Very low105 Ų105123.3 Ų123.346%0.46162%0.621SS.*BIsolated β-bridgetrans-83.9108-178.3179.5-93.3000111.6V188 Y192 L197V188-F203 HydrophobicContact CG2-CE2 4.41Å; Y192-F203 HydrophobicContact CD1-CZ 4.16Å; Y192-F203 HydrophobicContact CE1-CZ 4.03Å; L197-F203 HydrophobicContact CD2-CB 4.45Å
204K53.1Low48Very low153 Ų153125.4 Ų125.467%0.66562%0.623SS**  trans-106.444.9172.9-68.2-176.9-175.6151.70112.4D198 H202D198-K204 WeakPolarHBondContact OD2-CD 3.39Å; D198-K204 WeakPolarHBondContact OD2-CE 3.23Å; D198-K204 IonicContact OD2-NZ 2.64Å; D198-K204 PolarHBondContact OD2-NZ 3.32Å; H202-K204 PolarHBondContact O-N 2.92Å
205G52.4Low47.5Very low22 Ų22125.9 Ų125.923%0.22763%0.629CS.*PPolyproline II helixtrans-75.9133.3172.200000112.5
206G48.1Very low47Very low55 Ų55133.1 Ų133.157%0.56766%0.657SS**PPolyproline II helixtrans-62.5164.4-179.200000114.7R208G206-R208 PolarHBondContact O-N 3.08Å
207A42.4Very low46.3Very low103 Ų103133.7 Ų133.785%0.85167%0.665SS**PPolyproline II helixtrans-53.4129.4-174.300000112.9K209A207-K209 PolarHBondContact O-N 3.06Å
208R44.5Very low46.1Very low179 Ų179134.1 Ų134.168%0.67567%0.671SS**PPolyproline II helixtrans-56.8122.6179.2-72.1-179.9175.9166.31.2110.7Y192 G206 F210Y192-R208 HydrophobicContact CE1-CG 4.02Å; Y192-R208 PolarHBondContact OH-NE 3.38Å; Y192-R208 PolarHBondContact OH-NH2 3.05Å; Y192-R208 VanDerWaalsContact OH-NH2 3.07Å; G206-R208 PolarHBondContact O-N 3.08Å; R208-F210 PolarHBondContact O-N 3.4Å; R208-F210 VanDerWaalsContact O-N 3.16Å
209K47.5Very low44.9Very low157 Ų157136.7 Ų136.768%0.68369%0.693SS**  trans-67.5106.9162.1-65.3175.4179.7176.10107.3E193 A207 L211E193-K209 IonicContact OE2-NZ 2.67Å; E193-K209 PolarHBondContact OE2-NZ 3.28Å; A207-K209 PolarHBondContact O-N 3.06Å; K209-L211 PolarHBondContact O-N 3.47Å
210F47.3Very low43.9Very low195 Ų195133.6 Ų133.686%0.85569%0.688SS**PPolyproline II helixtrans-64.6123.3167.3-72.3-92.3000107.9R208R208-F210 PolarHBondContact O-N 3.4Å; R208-F210 VanDerWaalsContact O-N 3.16Å
211L41Very low42.3Very low152 Ų152136 Ų13680%0.79670%0.695SS**PPolyproline II helixtrans-66.8144.9166.6-68.9171.9000108.6K209 I213K209-L211 PolarHBondContact O-N 3.47Å; L211-I213 PolarHBondContact O-N 3.06Å
212P42.8Very low41.6Very low85 Ų85143 Ų14355%0.55271%0.71SS**PPolyproline II helixtrans-54.2133.5175.4-25.734.7000111.4Y214P212-Y214 VanDerWaalsContact C-N 3.31Å; P212-Y214 HydrophobicContact CB-CD2 4.41Å; P212-Y214 HydrophobicContact CB-CE2 4.04Å; P212-Y214 HydrophobicContact CG-CE2 4.47Å; P212-Y214 WeakPolarHBondContact O-CD2 3.4Å; P212-Y214 PolarHBondContact O-N 3.42Å
213I44.5Very low40.2Very low162 Ų162145.6 Ų145.683%0.83172%0.723SS**  trans-77.989171.5-56.5176.4000106.8L211 Q215L211-I213 PolarHBondContact O-N 3.06Å; I213-Q215 PolarHBondContact O-N 2.99Å; I213-Q215 VanDerWaalsContact O-N 3.09Å
214Y31.7Very low39.8Very low196 Ų196146.3 Ų146.377%0.76974%0.736SS**  trans-64.2108170.6-65.3-82.5000109P212 K216P212-Y214 VanDerWaalsContact C-N 3.31Å; P212-Y214 HydrophobicContact CB-CD2 4.41Å; P212-Y214 HydrophobicContact CB-CE2 4.04Å; P212-Y214 HydrophobicContact CG-CE2 4.47Å; P212-Y214 WeakPolarHBondContact O-CD2 3.4Å; P212-Y214 PolarHBondContact O-N 3.42Å; Y214-K216 VanDerWaalsContact C-N 3.33Å; Y214-K216 PolarHBondContact O-N 3.22Å
215Q31Very low38.8Very low180 Ų180144.7 Ų144.784%0.84174%0.738SS**  trans-69.395.4164.2-72.4-178-86.300107.7I213 E217I213-Q215 PolarHBondContact O-N 2.99Å; I213-Q215 VanDerWaalsContact O-N 3.09Å; Q215-E217 PolarHBondContact O-N 2.59Å
216K36.2Very low38.1Very low179 Ų179149.6 Ų149.678%0.77876%0.764SS**  trans-84.992.2172.4-169.2-175.1-176.6-172.70108.7Y214 V218Y214-K216 VanDerWaalsContact C-N 3.33Å; Y214-K216 PolarHBondContact O-N 3.22Å; K216-V218 HydrophobicContact CD-CG2 4.07Å; K216-V218 HydrophobicContact CG-CG2 4.07Å; K216-V218 PolarHBondContact O-N 2.87Å
217E33.8Very low37.2Very low179 Ų179156.5 Ų156.584%0.83678%0.778SS**  trans-65.9121161.4-64.5-168.2160.200107.9Q215Q215-E217 PolarHBondContact O-N 2.59Å
218V33.1Very low36.4Very low101 Ų101155.4 Ų155.461%0.61278%0.776SS**  trans-101.296.7174.5179.80000106.3K216 E220K216-V218 HydrophobicContact CD-CG2 4.07Å; K216-V218 HydrophobicContact CG-CG2 4.07Å; K216-V218 PolarHBondContact O-N 2.87Å; V218-E220 PolarHBondContact O-N 2.91Å
219S33.8Very low35.4Very low108 Ų108150.4 Ų150.476%0.75578%0.781SS**  trans-68.3111167.553.40000108.6
220E33.2Very low34.2Very low181 Ų181149.7 Ų149.785%0.84679%0.794SS**  trans-64138.3178-66.8-179.7151.800110.9V218 K222V218-E220 PolarHBondContact O-N 2.91Å; E220-K222 PolarHBondContact O-N 3.35Å
221E31.8Very low33.2Very low187 Ų187144.2 Ų144.287%0.87479%0.793SS**  trans-75.6122.1-168.6-63.3173.4158.600110.5E223E221-E223 PolarHBondContact O-N 3.24Å; E221-E223 VanDerWaalsContact O-N 3.17Å
222K38.5Very low32.6Very low197 Ų197141.3 Ų141.386%0.85779%0.79SS**  trans-77.6101.4173.1-74.9-171.1175-176.50110E220 V224E220-K222 PolarHBondContact O-N 3.35Å; K222-V224 PolarHBondContact O-N 3.26Å
223E30.6Very low31.9Very low182 Ų182146.8 Ų146.885%0.8581%0.806SS**  trans-54.9120.8168.5-65.5-171.6128.800110.8E221E221-E223 PolarHBondContact O-N 3.24Å; E221-E223 VanDerWaalsContact O-N 3.17Å
224V37.6Very low31.1Very low120 Ų120148 Ų14873%0.72781%0.808SS**  trans-113.195.1169.8-1780000108.4K222 V226K222-V224 PolarHBondContact O-N 3.26Å; V224-V226 HydrophobicContact CG1-CG2 4.4Å; V224-V226 PolarHBondContact O-N 2.78Å
225V32.6Very low31Very low119 Ų119147.1 Ų147.172%0.72181%0.811SS**  trans-70.598.1-179.4-179.40000110.5
226V37.4Very low30.8Very low125 Ų125145 Ų14576%0.75880%0.801SS**  trans-88.9123.4169.1-177.30000109.2V224V224-V226 HydrophobicContact CG1-CG2 4.4Å; V224-V226 PolarHBondContact O-N 2.78Å
227K30.1Very low30.3Very low199 Ų199144.6 Ų144.687%0.86580%0.799SS**  trans-89.2125.1-178.1-66.9-178.7178.9178.30111.6
228G26.5Very low30.1Very low80 Ų80145 Ų14583%0.82580%0.798SS**  trans123124.1167.900000113.3
229G22.2Very low30.4Very low75 Ų75148.7 Ų148.777%0.77381%0.808SS**  cis178.5168.1-6.300000113.9
230C22.5Very low30.8Very low142 Ų142148.7 Ų148.796%0.95981%0.806SS**  trans59.884.2168.8-64.10000118.8
231G26Very low30.6Very low80 Ų80150.2 Ų150.283%0.82580%0.804SS**  trans104150.7146.400000116.7
232A27.8Very low30.7Very low90 Ų90149.2 Ų149.274%0.74480%0.8SS**  cis-162.3151.3-15.900000109.7
233K28.2Very low30.4Very low201 Ų201147.8 Ų147.887%0.87479%0.793SS**  trans68.5124.1-178.6-52.2178.7-178.2-179.10112.8
234E28.3Very low30.2Very low186 Ų186149.4 Ų149.487%0.86979%0.792SS**  cis64.789.234.1-160.1179.3-144.800113.4
235E29.3Very low29.8Very low179 Ų179150.5 Ų150.584%0.83680%0.803SS**  trans-137.5143.4145.6-157.7-179.7176.300108.4
236E26.9Very low29.8Very low134 Ų134150.4 Ų150.463%0.62681%0.808SS**  trans-84.4157.4-167.2-74.9-164.791.600115.6
237K26.2Very low29.2Very low171 Ų171148.5 Ų148.574%0.74381%0.813SS**  trans3.9120.1143.5-54.7162.7-166.8135.70116.1
238K29.9Very low29.1Very low188 Ų188142.7 Ų142.782%0.81781%0.81SS**  trans-132.165.1152.2-76.4-173.9-179.6132.10113.6
239E38.6Very low29.5Very low178 Ų178149.1 Ų149.183%0.83282%0.815SS**  -71.3167.2128.5-69.5-167.1158.600109.4
240P42.3Very low30Very low109 Ų109150.6 Ų150.671%0.70881%0.814SS**  cis-120.3-179-21.238.3-26.4000110.8
241R29.1Very low30.5Very low213 Ų213148.4 Ų148.480%0.80480%0.799SS**  trans-165.998.3130.6-111.2162.3-176.8177.23.8113.4K243R241-K243 PolarHBondContact O-N 3.25Å
242E34Very low31Very low166 Ų166151.5 Ų151.578%0.77680%0.796SS**  trans-58.8129.1145.1-63.5-172.3130.100109.6
243K32.9Very low31.5Very low167 Ų167154.5 Ų154.573%0.72680%0.799SS**  trans-131.487.5150-70.7-168.5175.2-174.30106R241R241-K243 PolarHBondContact O-N 3.25Å
244R25.8Very low32Very low216 Ų216156 Ų15682%0.81580%0.799SS**  59.2120.388-70.1-169.4176.2-169.2-0.8112
245C29.4Very low32.4Very low142 Ų142151 Ų15196%0.95980%0.797SS**  trans-56.7137.7175.2-52.50000111.6
246S32.1Very low33Very low118 Ų118147.1 Ų147.183%0.82579%0.786SS**  trans-125.4127.9171.157.30000110
247G26Very low33.4Very low85 Ų85142.8 Ų142.888%0.87678%0.778SS**SBendtrans89.288.7178.900000113
248G28.1Very low33.9Very low77 Ų77141.6 Ų141.679%0.79479%0.787SS**  trans-82.6155-178.700000114.6
249K35.2Very low34.6Very low215 Ų215135.5 Ų135.594%0.93578%0.778SS**  -138.1158128.7-98.9165.8-175.3178.40107.4
250S32Very low34.6Very low106 Ų106131.6 Ų131.674%0.74176%0.756SS**  trans-89.2178-158.852.10000115
251C31.8Very low34.6Very low96 Ų96133.3 Ų133.365%0.64976%0.755SS**  trans88.1114.3161-50.90000118.5L253C251-L253 PolarHBondContact O-N 3.14Å
252D38.2Very low35.1Very low144 Ų144130.8 Ų130.877%0.7775%0.749SS**  62.546127.5-46.7-24.7000119.6R254D252-R254 PolarHBondContact O-N 2.74Å
253L37.8Very low35.5Very low154 Ų154124.9 Ų124.981%0.80673%0.727SS**  trans-65.285.1154.2-76.6175.2000110.6C251 G255C251-L253 PolarHBondContact O-N 3.14Å; L253-G255 PolarHBondContact O-N 2.77Å
254R39.4Very low35.9Very low231 Ų231125.1 Ų125.187%0.87272%0.724SS**PPolyproline II helixtrans-53.8118.6166.4-69.3-176.2178.6-174.20.2109D252 V256D252-R254 PolarHBondContact O-N 2.74Å; R254-V256 PolarHBondContact O-N 3.02Å
255G36.7Very low36.3Very low81 Ų81121.4 Ų121.484%0.83572%0.72SS**PPolyproline II helixtrans-62.5126.8-178.800000112.4L253L253-G255 PolarHBondContact O-N 2.77Å
256V40.9Very low37.1Very low98 Ų98117.5 Ų117.559%0.59469%0.689SS**PPolyproline II helixtrans-96.4139.7159.8-177.60000107.2R254 Y260R254-V256 PolarHBondContact O-N 3.02Å; V256-Y260 HydrophobicContact CG1-CD2 4.12Å
257G34.7Very low37.8Very low44 Ų44123.3 Ų123.345%0.45470%0.695SS.*PPolyproline II helixtrans-58.3161.8-165.800000116.1G259G257-G259 PolarHBondContact O-N 3.31Å
258P36.5Very low39.1Very low145 Ų145125.9 Ų125.994%0.94269%0.688SS**THydrogen-bonded Turntrans-56122.7-172.422.6-34000112.2
259G45.7Very low40Very low60 Ų60124.9 Ų124.962%0.61968%0.679SS**THydrogen-bonded Turntrans140.6-20-178.500000114.6G257G257-G259 PolarHBondContact O-N 3.31Å
260Y38.1Very low40.7Very low97 Ų97120.8 Ų120.838%0.3866%0.662SS.*  trans-111.499.2-179.2-61.7-82.6000111.9V256 K262V256-Y260 HydrophobicContact CG1-CD2 4.12Å; Y260-K262 PolarHBondContact O-N 3.32Å
261E42.2Very low41.1Very low145 Ų145123 Ų12368%0.67866%0.659SS**SBendtrans-80.2106.5167.2-162.4-162.8153.100109.1
262K39.2Very low41.8Very low159 Ų159125.8 Ų125.869%0.69166%0.66SS**  trans66.289178-57.2148.1-176.3149.10114.7Y260Y260-K262 PolarHBondContact O-N 3.32Å
263S43.4Very low42.3Very low43 Ų43120.1 Ų120.130%0.30164%0.636SS.*  trans-122.5115.2160.2580000109.7
264Y40.8Very low42.7Very low171 Ų171115.7 Ų115.767%0.67163%0.627SS**PPolyproline II helixtrans-92.7152.8170.9-64.3-87.8000109.9
265L33.7Very low42.8Very low139 Ų139109.4 Ų109.473%0.72863%0.625SS**PPolyproline II helixtrans-93.7122.6166.1-79.4162000107.9
266D46.7Very low43Very low59 Ų59114.8 Ų114.832%0.31662%0.62SS.*PPolyproline II helixtrans-71.2149.8166.6-67.6-16.4000109.5D268 G269 K272D266-D268 PolarHBondContact O-N 3.05Å; D266-D268 VanDerWaalsContact O-N 3.13Å; D266-G269 PolarHBondContact O-N 3.28Å; D266-K272 VanDerWaalsContact OD2-CD 3.25Å; D266-K272 WeakPolarHBondContact OD2-CD 2.95Å; D266-K272 WeakPolarHBondContact OD2-CE 3.3Å; D266-K272 IonicContact OD2-NZ 3.22Å; D266-K272 PolarHBondContact OD2-NZ 3.21Å
267Y47.7Very low43.1Very low241 Ų241118.6 Ų118.695%0.94563%0.628SS**THydrogen-bonded Turntrans-57.1-30.2-175.9-78.8-86.2000113.7G269Y267-G269 PolarHBondContact O-N 3.13Å
268D52.7Low43.4Very low138 Ų138125.6 Ų125.674%0.73865%0.646SS**THydrogen-bonded Turntrans-7810.4176.2-51.4-60.7000113.8D266 H270D266-D268 PolarHBondContact O-N 3.05Å; D266-D268 VanDerWaalsContact O-N 3.13Å; D268-H270 PolarHBondContact O-N 3.07Å; D268-H270 VanDerWaalsContact O-N 3.16Å; D268-H270 PolarHBondContact O-ND1 2.83Å
269G47.9Very low43.4Very low57 Ų57125.3 Ų125.359%0.58864%0.636SS**  trans71.66.1176.700000115.7D266 Y267 F271D266-G269 PolarHBondContact O-N 3.28Å; Y267-G269 PolarHBondContact O-N 3.13Å; G269-F271 PolarHBondContact O-N 2.94Å
270H49Very low43Very low128 Ų128126.2 Ų126.259%0.59363%0.631SS**  trans-80.3115.9-174.7-77.663.4000112.2D268 K272D268-H270 PolarHBondContact O-N 3.07Å; D268-H270 VanDerWaalsContact O-N 3.16Å; D268-H270 PolarHBondContact O-ND1 2.83Å; H270-K272 PolarHBondContact O-N 3.26Å; H270-K272 VanDerWaalsContact O-N 3.08Å
271F40.4Very low43.1Very low152 Ų152129.4 Ų129.467%0.66765%0.653SS**  trans-72.798.2-177.1-178-96.4000112.7G269 G273G269-F271 PolarHBondContact O-N 2.94Å; F271-G273 VanDerWaalsContact C-N 3.31Å; F271-G273 PolarHBondContact O-N 3.08Å
272K47.2Very low42.6Very low156 Ų156131.6 Ų131.668%0.67866%0.657SS**  trans-93.541.6172-65.6178.9-171.4153.70112.8D266 H270 G274D266-K272 VanDerWaalsContact OD2-CD 3.25Å; D266-K272 WeakPolarHBondContact OD2-CD 2.95Å; D266-K272 WeakPolarHBondContact OD2-CE 3.3Å; D266-K272 IonicContact OD2-NZ 3.22Å; D266-K272 PolarHBondContact OD2-NZ 3.21Å; H270-K272 PolarHBondContact O-N 3.26Å; H270-K272 VanDerWaalsContact O-N 3.08Å; K272-G274 PolarHBondContact O-N 3.31Å
273G48.5Very low42.2Very low25 Ų25131.3 Ų131.326%0.25866%0.658SS.*PPolyproline II helixtrans-66.9119.2175.400000112F271F271-G273 VanDerWaalsContact C-N 3.31Å; F271-G273 PolarHBondContact O-N 3.08Å
274G45.3Very low41.7Very low60 Ų60138 Ų13862%0.61968%0.681SS**PPolyproline II helixtrans-58.9158.9179.700000114K272 R276K272-G274 PolarHBondContact O-N 3.31Å; G274-R276 PolarHBondContact O-N 3.14Å
275A41.5Very low41.3Very low100 Ų100138 Ų13883%0.82669%0.688SS**PPolyproline II helixtrans-51.6125-171.500000113.2K277A275-K277 PolarHBondContact O-N 2.96Å; A275-K277 VanDerWaalsContact O-N 3.08Å
276R41.1Very low41.2Very low193 Ų193136 Ų13673%0.72868%0.681SS**  trans-53.3113.5-179.8-73.1-179.6172.8172-0.2111.3G274 F278G274-R276 PolarHBondContact O-N 3.14Å; R276-F278 PolarHBondContact O-N 3.35Å
277K43.7Very low40.7Very low178 Ų178138.6 Ų138.677%0.77470%0.703SS**  trans-71.3111.8160.9-63.9178.5-175.6172.40107.4A275 L279A275-K277 PolarHBondContact O-N 2.96Å; A275-K277 VanDerWaalsContact O-N 3.08Å; K277-L279 PolarHBondContact O-N 3.01Å
278F40.6Very low40.1Very low191 Ų191134.3 Ų134.384%0.83869%0.692SS**  trans-67.8113.2164.9-73.5-92.6000107.8R276R276-F278 PolarHBondContact O-N 3.35Å
279L35.8Very low39Very low140 Ų140136.9 Ų136.973%0.73370%0.7SS**  trans-63.9134.5164.3-72170.5000108K277 I281K277-L279 PolarHBondContact O-N 3.01Å; L279-I281 PolarHBondContact O-N 2.95Å
280P38Very low38.5Very low78 Ų78142.3 Ų142.351%0.50671%0.707SS.*  trans-58.5127175.8-23.133.3000110.5Y282P280-Y282 VanDerWaalsContact C-N 3.27Å; P280-Y282 HydrophobicContact CB-CD2 4.3Å; P280-Y282 HydrophobicContact CB-CE1 4.2Å; P280-Y282 HydrophobicContact CB-CE2 3.92Å; P280-Y282 HydrophobicContact CG-CE2 4.33Å; P280-Y282 VanDerWaalsContact O-CD2 3.23Å; P280-Y282 WeakPolarHBondContact O-CD2 3.16Å; P280-Y282 PolarHBondContact O-N 2.93Å
281I39.2Very low37.6Very low164 Ų164145.2 Ų145.284%0.84172%0.721SS**  trans-78.985.9169.7-56.4178000106.7L279 Q283L279-I281 PolarHBondContact O-N 2.95Å; I281-Q283 PolarHBondContact O-N 2.67Å; I281-Q283 VanDerWaalsContact O-N 3.16Å
282Y32Very low37.1Very low192 Ų192144.8 Ų144.875%0.75372%0.724SS**  trans-60.8115175.8-62.8-81.3000109.8P280 K284P280-Y282 VanDerWaalsContact C-N 3.27Å; P280-Y282 HydrophobicContact CB-CD2 4.3Å; P280-Y282 HydrophobicContact CB-CE1 4.2Å; P280-Y282 HydrophobicContact CB-CE2 3.92Å; P280-Y282 HydrophobicContact CG-CE2 4.33Å; P280-Y282 VanDerWaalsContact O-CD2 3.23Å; P280-Y282 WeakPolarHBondContact O-CD2 3.16Å; P280-Y282 PolarHBondContact O-N 2.93Å; Y282-K284 VanDerWaalsContact C-N 3.3Å; Y282-K284 PolarHBondContact O-N 3.23Å
283Q31Very low36.2Very low152 Ų152143.9 Ų143.971%0.7173%0.731SS**  trans-7289.1168.2-76.3-170.1-16.200109I281 Q285I281-Q283 PolarHBondContact O-N 2.67Å; I281-Q283 VanDerWaalsContact O-N 3.16Å; Q283-Q285 VanDerWaalsContact C-N 3.31Å; Q283-Q285 PolarHBondContact O-N 3.05Å
284K33.2Very low35.2Very low183 Ų183148.2 Ų148.280%0.79675%0.752SS**  trans-7088.1173.2-167.2-179-175.4-179.90109.4Y282 V286Y282-K284 VanDerWaalsContact C-N 3.3Å; Y282-K284 PolarHBondContact O-N 3.23Å; K284-V286 HydrophobicContact CD-CG2 4.13Å; K284-V286 HydrophobicContact CG-CG2 3.97Å; K284-V286 PolarHBondContact O-N 2.84Å; K284-V286 VanDerWaalsContact O-N 3.13Å
285Q31.7Very low34.3Very low173 Ų173155.4 Ų155.481%0.80877%0.767SS**  trans-69.6103.9168.1-65.4-170.211.400108.3Q283Q283-Q285 VanDerWaalsContact C-N 3.31Å; Q283-Q285 PolarHBondContact O-N 3.05Å
286V32.3Very low33.4Very low97 Ų97154.5 Ų154.559%0.58877%0.767SS**  trans-92100.5169.9-1750000107.3K284 E288K284-V286 HydrophobicContact CD-CG2 4.13Å; K284-V286 HydrophobicContact CG-CG2 3.97Å; K284-V286 PolarHBondContact O-N 2.84Å; K284-V286 VanDerWaalsContact O-N 3.13Å; V286-E288 HydrophobicContact CG1-CG 4.04Å; V286-E288 PolarHBondContact O-N 3.01Å
287S35.9Very low32.4Very low112 Ų112149.1 Ų149.178%0.78377%0.771SS**  trans-7989.3168.652.70000109.1E289S287-E289 PolarHBondContact O-N 3.33Å
288E35.3Very low31.4Very low151 Ų151145.7 Ų145.771%0.70678%0.776SS**  trans-65.1124.8172.6-67.5-177.4158.700110.4V286V286-E288 HydrophobicContact CG1-CG 4.04Å; V286-E288 PolarHBondContact O-N 3.01Å
289E29.3Very low30.8Very low192 Ų192144.2 Ų144.290%0.89777%0.769SS**  trans-64.1132.3178.1-59.7173.9142.900110S287S287-E289 PolarHBondContact O-N 3.33Å
290K37.6Very low30.4Very low171 Ų171144.7 Ų144.774%0.74377%0.768SS**  trans-127.7101.7176-71.7-167.4176.3-177.70111.4
291E30.3Very low29.9Very low190 Ų190148.9 Ų148.989%0.88878%0.781SS**  trans-58.3140.7171.8-165.5172-149.700111.1
292I29.5Very low29.3Very low143 Ų143150.5 Ų150.573%0.73378%0.782SS**  trans-111.5121.4-172.4-59.8174000109.7V294I292-V294 HydrophobicContact CG2-CG2 4.04Å
293V29.7Very low29.2Very low137 Ų137150.5 Ų150.583%0.8379%0.786SS**  trans-127.3133.9170.6-178.30000109.4
294V25.6Very low29.1Very low115 Ų115152 Ų15270%0.69779%0.792SS**  trans-118.1135-166.2176.70000111.7I292I292-V294 HydrophobicContact CG2-CG2 4.04Å
295K27.3Very low29.3Very low212 Ų212148.6 Ų148.692%0.92279%0.789SS**  trans157.1137.6155.8-86.7149.7-1701780108.7
296G21.7Very low29.1Very low81 Ų81151.8 Ų151.884%0.83579%0.794SS**  cis155.5138.1-12.900000113.3
297G21.6Very low28.9Very low79 Ų79153.1 Ų153.181%0.81479%0.794SS**  trans108133154.900000120
298A22.5Very low28.8Very low106 Ų106157.8 Ų157.888%0.87680%0.8SS**  trans66.2148.2149.800000120.9
299K28.1Very low28.3Very low160 Ų160160.2 Ų160.270%0.69680%0.803SS**  cis-172.1149.9-18.9-176.7174.8176.4-100.90109
300E26.6Very low28.3Very low150 Ų150156.1 Ų156.170%0.70180%0.795SS**  trans62.2160.7168.5-80.6146.4176.200117.7
301E28.2Very low27.8Very low167 Ų167153.7 Ų153.778%0.7880%0.8SS**  cis-139.4168-2.4-149.8-170.9-160.300110.7
302K25.4Very low27.7Very low197 Ų197147.8 Ų147.886%0.85779%0.79SS**  trans-103.3133.3176.4-75.4-175.2175.6-1750112.8
303K30.3Very low27.8Very low192 Ų192148.6 Ų148.684%0.83580%0.796SS**  trans-143.5130.9148.9-71.3-169.5179.6166.60112.9
304E29.3Very low27.9Very low183 Ų183151.7 Ų151.786%0.85580%0.798SS**  trans-102.5-170.7156.9-41.2178.6145.500107.5
305P37.3Very low28.1Very low113 Ų113149.1 Ų149.173%0.73480%0.795SS**  cis-129.5-176.2-18.338.1-21.7000112.6
306R27.9Very low28.5Very low240 Ų240146.4 Ų146.491%0.90679%0.791SS**  156.5133111.4-169165.7-172.6165.83.5114.6
307E28.2Very low29.1Very low124 Ų124148.1 Ų148.158%0.57978%0.781SS**  trans-64.4142.2174.5-178.2-167.3169.200114.5R309E307-R309 HydrophobicContact CG-CG 4.46Å; E307-R309 IonicContact OE1-CZ 2.9Å; E307-R309 VanDerWaalsContact OE1-CZ 3.24Å; E307-R309 IonicContact OE1-NE 3.24Å; E307-R309 PolarHBondContact OE1-NE 3.43Å; E307-R309 IonicContact OE1-NH2 3.87Å; E307-R309 PolarHBondContact OE1-NH2 3.33Å; E307-R309 IonicContact OE2-NH2 3.57Å
308K32.2Very low30Very low211 Ų211152.6 Ų152.692%0.91779%0.785SS**  trans-137.4154.3152.4-79.8-166.9176.8-179.30110.4
309R25.7Very low30.7Very low201 Ų201157.4 Ų157.476%0.75878%0.781SS**  trans-115.4-172.2-166.4-60.4-179.6177.6170.92.4112.8E307E307-R309 HydrophobicContact CG-CG 4.46Å; E307-R309 IonicContact OE1-CZ 2.9Å; E307-R309 VanDerWaalsContact OE1-CZ 3.24Å; E307-R309 IonicContact OE1-NE 3.24Å; E307-R309 PolarHBondContact OE1-NE 3.43Å; E307-R309 IonicContact OE1-NH2 3.87Å; E307-R309 PolarHBondContact OE1-NH2 3.33Å; E307-R309 IonicContact OE2-NH2 3.57Å
310S29.7Very low31Very low106 Ų106153.2 Ų153.274%0.74178%0.782SS**  trans77.2128.6177.767.60000114.5
311S27.4Very low31.7Very low120 Ų120150.5 Ų150.584%0.83978%0.776SS**  cis72.413035.183.30000114.3
312G27.7Very low32Very low67 Ų67144.7 Ų144.769%0.69176%0.761SS**  cis156.9136.3-3.200000111.3
313D31Very low32.4Very low160 Ų160142.5 Ų142.586%0.85677%0.767SS**  trans43.7126.9166.8-60.2-48.6000121.7
314K31.3Very low33.1Very low201 Ų201137 Ų13787%0.87476%0.764SS**  -178.8137.6106.2-98.7171.3-179.4-173.50114.8
315G29.9Very low33.5Very low61 Ų61133.5 Ų133.563%0.62974%0.744SS**  trans92.2134.6162.300000116.3
316D35.9Very low33.7Very low156 Ų156136.7 Ų136.783%0.83475%0.749SS**  cis-151.1163.9-7.4-88.5-49.7000113.1L318D316-L318 PolarHBondContact O-N 3.42Å
317D35.8Very low34.2Very low117 Ų117133.3 Ų133.363%0.62674%0.741SS**  trans-2483.6-178.5-102.6-55.1000119.5R319D317-R319 IonicContact OD1-CZ 3.72Å; D317-R319 IonicContact OD1-NE 2.62Å; D317-R319 PolarHBondContact OD1-NE 3.23Å; D317-R319 IonicContact OD1-NH2 2.62Å; D317-R319 PolarHBondContact OD1-NH2 2.92Å; D317-R319 IonicContact OD2-NH2 3.86Å
318L40Very low34.8Very low172 Ų172130.1 Ų130.190%0.90173%0.732SS**  trans-12494.2146-79.1-179.1000110.9D316 G320D316-L318 PolarHBondContact O-N 3.42Å; L318-G320 PolarHBondContact O-N 3.17Å
319R35.8Very low35.1Very low208 Ų208129.3 Ų129.379%0.78573%0.725SS**  trans-73.766.5172.5-86.7173.3-89.1178.4-8.1111.9D317 V321D317-R319 IonicContact OD1-CZ 3.72Å; D317-R319 IonicContact OD1-NE 2.62Å; D317-R319 PolarHBondContact OD1-NE 3.23Å; D317-R319 IonicContact OD1-NH2 2.62Å; D317-R319 PolarHBondContact OD1-NH2 2.92Å; D317-R319 IonicContact OD2-NH2 3.86Å; R319-V321 PolarHBondContact O-N 3.19Å
320G35.7Very low35.4Very low71 Ų71126.2 Ų126.273%0.73272%0.723SS**  trans-60.4104.7166.300000110L318 G322L318-G320 PolarHBondContact O-N 3.17Å; G320-G322 PolarHBondContact O-N 2.87Å
321V40.7Very low36.1Very low94 Ų94125.1 Ų125.157%0.5771%0.708SS**  trans-65.6126176.1-161.90000107.7R319 Y325R319-V321 PolarHBondContact O-N 3.19Å; V321-Y325 HydrophobicContact CB-CD2 3.86Å; V321-Y325 HydrophobicContact CB-CE2 4.31Å; V321-Y325 HydrophobicContact CB-CG 4.11Å; V321-Y325 HydrophobicContact CG1-CD1 4.42Å; V321-Y325 HydrophobicContact CG1-CD2 3.44Å; V321-Y325 VanDerWaalsContact CG1-CD2 3.44Å; V321-Y325 HydrophobicContact CG1-CE1 4.36Å; V321-Y325 HydrophobicContact CG1-CE2 3.38Å; V321-Y325 HydrophobicContact CG1-CG 4Å
322G34Very low37.1Very low45 Ų45131.3 Ų131.346%0.46472%0.715SS.*  trans-56.1167.6-161.100000116.7G320 G324 Y325G320-G322 PolarHBondContact O-N 2.87Å; G322-G324 PolarHBondContact O-N 2.83Å; G322-Y325 WeakPolarHBondContact O-CD2 3.47Å
323P35Very low38.3Very low150 Ų150132 Ų13297%0.97471%0.714SS**THydrogen-bonded Turntrans-50.3112.3-167.919.5-33.2000112.6
324G44.4Very low39Very low76 Ų76127.1 Ų127.178%0.78470%0.702SS**THydrogen-bonded Turntrans144.5-11.2-172.200000115.5G322G322-G324 PolarHBondContact O-N 2.83Å
325Y38.2Very low39.7Very low111 Ų111125 Ų12544%0.43569%0.692SS.*  trans-107.188178-67.1-95.2000112.3V321 G322 K327V321-Y325 HydrophobicContact CB-CD2 3.86Å; V321-Y325 HydrophobicContact CB-CE2 4.31Å; V321-Y325 HydrophobicContact CB-CG 4.11Å; V321-Y325 HydrophobicContact CG1-CD1 4.42Å; V321-Y325 HydrophobicContact CG1-CD2 3.44Å; V321-Y325 VanDerWaalsContact CG1-CD2 3.44Å; V321-Y325 HydrophobicContact CG1-CE1 4.36Å; V321-Y325 HydrophobicContact CG1-CE2 3.38Å; V321-Y325 HydrophobicContact CG1-CG 4Å; G322-Y325 WeakPolarHBondContact O-CD2 3.47Å; Y325-K327 PolarHBondContact O-N 3.17Å
326E40.4Very low40.2Very low179 Ų179128.8 Ų128.884%0.83669%0.692SS**  trans-68.6112.9160.1-76.2-166.197.500110S328E326-S328 PolarHBondContact O-N 3.31Å
327K39.2Very low40.6Very low170 Ų170129.9 Ų129.974%0.73969%0.689SS**  trans53.958.1157.6-58.7173.4-176.7168.80116.1Y325 Y329Y325-K327 PolarHBondContact O-N 3.17Å; K327-Y329 HydrophobicContact CB-CE2 4.28Å
328S40.4Very low41.2Very low56 Ų56125.7 Ų125.739%0.39267%0.674SS.*  trans-98.296163.362.40000111.4E326E326-S328 PolarHBondContact O-N 3.31Å
329Y39Very low41.4Very low194 Ų194121 Ų12176%0.76167%0.666SS**  trans-83.6155.6170.5-65.5-87.4000111.3K327K327-Y329 HydrophobicContact CB-CE2 4.28Å
330L32.5Very low41.7Very low137 Ų137115.9 Ų115.972%0.71767%0.669SS**  trans-99.9113171.9-84.7163000109.6
331D43.5Very low41.9Very low82 Ų82121.4 Ų121.444%0.43967%0.667SS.*  trans-63.5143.3168.5-67.2-19.1000109.8A333 G334 K337D331-A333 PolarHBondContact O-N 3.48Å; D331-G334 PolarHBondContact O-N 2.72Å; D331-K337 IonicContact OD2-NZ 2.93Å
332Y48.7Very low42.1Very low251 Ų251126.2 Ų126.298%0.98468%0.681SS**THydrogen-bonded Turntrans-52.6-20.6-179.6-97.6-91.2000115G334Y332-G334 VanDerWaalsContact C-N 3.31Å
333A53.9Low42.3Very low80 Ų80132.3 Ų132.366%0.66170%0.695SS**THydrogen-bonded Turntrans-84.97.3175.800000114.6D331 K335D331-A333 PolarHBondContact O-N 3.48Å; A333-K335 VanDerWaalsContact C-N 3.25Å; A333-K335 PolarHBondContact O-N 2.86Å
334G45.3Very low42.3Very low58 Ų58132.3 Ų132.360%0.59869%0.686SS**  trans70.78.4173.500000116.1D331 Y332 F336D331-G334 PolarHBondContact O-N 2.72Å; Y332-G334 VanDerWaalsContact C-N 3.31Å; G334-F336 PolarHBondContact O-N 3.25Å
335K45.7Very low41.9Very low157 Ų157132.3 Ų132.368%0.68367%0.672SS**  trans-91.4102.9-174.9-69.9-179.9-178.5178.50111.5A333 K337A333-K335 VanDerWaalsContact C-N 3.25Å; A333-K335 PolarHBondContact O-N 2.86Å; K335-K337 PolarHBondContact O-N 3.33Å
336F39.3Very low42.1Very low141 Ų141134.8 Ų134.862%0.61869%0.691SS**  trans-63.2111.2179.3-177.3-94.7000112.5G334 G338G334-F336 PolarHBondContact O-N 3.25Å; F336-G338 VanDerWaalsContact CE1-CA 3.43Å
337K44.3Very low42Very low179 Ų179134.6 Ų134.678%0.77868%0.684SS**  trans-103.235.1173-73.4178.6178.2164.70113.1D331 K335D331-K337 IonicContact OD2-NZ 2.93Å; K335-K337 PolarHBondContact O-N 3.33Å
338G48.5Very low41.9Very low29 Ų29135.8 Ų135.830%0.29969%0.689SS.*PPolyproline II helixtrans-78.5133173.300000112.3F336F336-G338 VanDerWaalsContact CE1-CA 3.43Å
339G46.1Very low41.7Very low72 Ų72142.6 Ų142.674%0.74271%0.712SS**PPolyproline II helixtrans-61.1157.7177.700000113.9R341G339-R341 PolarHBondContact O-N 2.62Å
340A41.6Very low41.5Very low101 Ų101142.3 Ų142.384%0.83572%0.717SS**PPolyproline II helixtrans-57.6128.3-171.800000113.4K342A340-K342 PolarHBondContact O-N 3.26Å; A340-K342 VanDerWaalsContact O-N 3.14Å
341R40.1Very low41.6Very low187 Ų187141.3 Ų141.371%0.70672%0.721SS**  trans-55.7113.4-179.1-75.3179.5167.9172.4-3.8112.3G339 F343G339-R341 PolarHBondContact O-N 2.62Å; R341-F343 HydrophobicContact CB-CD2 4.28Å; R341-F343 HydrophobicContact CB-CE2 4.36Å; R341-F343 PolarHBondContact O-N 3.31Å
342K44.8Very low41.4Very low196 Ų196142.8 Ų142.885%0.85274%0.738SS**  trans-77.396.7159.5-65.5179.9-176172.80108.6A340 L344A340-K342 PolarHBondContact O-N 3.26Å; A340-K342 VanDerWaalsContact O-N 3.14Å; K342-L344 PolarHBondContact O-N 3.46Å; K342-L344 VanDerWaalsContact O-N 3.14Å
343F38.2Very low40.9Very low172 Ų172135.2 Ų135.275%0.75473%0.728SS**  trans-68.2107.3167.3-90.2-89.4000109.3R341R341-F343 HydrophobicContact CB-CD2 4.28Å; R341-F343 HydrophobicContact CB-CE2 4.36Å; R341-F343 PolarHBondContact O-N 3.31Å
344L34Very low40.1Very low151 Ų151136.1 Ų136.179%0.79174%0.735SS**  trans-76.5124.2165.5-72.6171.4000108.6K342 I346K342-L344 PolarHBondContact O-N 3.46Å; K342-L344 VanDerWaalsContact O-N 3.14Å; L344-I346 PolarHBondContact O-N 3.19Å
345P35.9Very low39.7Very low76 Ų76142.7 Ų142.749%0.49475%0.748SS.*  trans-69.2125.7-178.325.5-33.1000111.7Y347P345-Y347 HydrophobicContact CB-CE1 4.36Å; P345-Y347 HydrophobicContact CB-CE2 4.19Å; P345-Y347 HydrophobicContact CG-CD2 4.38Å; P345-Y347 HydrophobicContact CG-CE1 4.38Å; P345-Y347 HydrophobicContact CG-CE2 3.59Å; P345-Y347 WeakPolarHBondContact O-CD2 3Å; P345-Y347 PolarHBondContact O-N 3.18Å
346I41.9Very low39.2Very low162 Ų162143.7 Ų143.783%0.83175%0.754SS**  trans-78.988.5176.3-55.1176.3000108.8L344 K348L344-I346 PolarHBondContact O-N 3.19Å; I346-K348 PolarHBondContact O-N 2.87Å; I346-K348 VanDerWaalsContact O-N 3.09Å
347Y39.5Very low39.3Very low175 Ų175142.5 Ų142.569%0.68676%0.759SS**  trans-71.598.7175-61.8-71.3000111.2P345 K349P345-Y347 HydrophobicContact CB-CE1 4.36Å; P345-Y347 HydrophobicContact CB-CE2 4.19Å; P345-Y347 HydrophobicContact CG-CD2 4.38Å; P345-Y347 HydrophobicContact CG-CE1 4.38Å; P345-Y347 HydrophobicContact CG-CE2 3.59Å; P345-Y347 WeakPolarHBondContact O-CD2 3Å; P345-Y347 PolarHBondContact O-N 3.18Å; Y347-K349 PolarHBondContact O-N 2.9Å
348K36.2Very low39.2Very low195 Ų195139.3 Ų139.385%0.84875%0.754SS**  trans-67.197.5160-81-166.8174.1-174.20108.9I346 Q350I346-K348 PolarHBondContact O-N 2.87Å; I346-K348 VanDerWaalsContact O-N 3.09Å; K348-Q350 PolarHBondContact O-N 3.24Å
349K37.4Very low39.2Very low200 Ų200144.9 Ų144.987%0.8778%0.775SS**  trans-62.8101.9164.6-74.1-174.7176-177.60108.6Y347 S351Y347-K349 PolarHBondContact O-N 2.9Å; K349-S351 PolarHBondContact O-N 3.19Å
350Q34.2Very low39.4Very low188 Ų188150.6 Ų150.688%0.87978%0.78SS**  trans-73.1105.1164.1-75.3-178.7-35.200108K348 S352K348-Q350 PolarHBondContact O-N 3.24Å; Q350-S352 PolarHBondContact O-N 2.9Å; Q350-S352 VanDerWaalsContact O-N 3.16Å
351S34.8Very low39.4Very low115 Ų115149.2 Ų149.280%0.80478%0.776SS**  trans-69.8104.6168.149.60000108.6K349 A353K349-S351 PolarHBondContact O-N 3.19Å; S351-A353 PolarHBondContact O-N 2.87Å
352S39.4Very low39.6Very low113 Ų113143.9 Ų143.979%0.7978%0.778SS**PPolyproline II helixtrans-58.9118.416951.80000109Q350 A354Q350-S352 PolarHBondContact O-N 2.9Å; Q350-S352 VanDerWaalsContact O-N 3.16Å; S352-A354 PolarHBondContact O-N 3.17Å
353A37.1Very low40.1Very low93 Ų93137 Ų13777%0.76976%0.759SS**PPolyproline II helixtrans-57.7137.2178.700000110.8S351 K355S351-A353 PolarHBondContact O-N 2.87Å; A353-K355 PolarHBondContact O-N 3.16Å
354A37Very low41.1Very low99 Ų99132.8 Ų132.882%0.81876%0.755SS**PPolyproline II helixtrans-64.9119.3178.500000110S352 E356S352-A354 PolarHBondContact O-N 3.17Å; A354-E356 PolarHBondContact O-N 3.15Å
355K38.8Very low42.3Very low196 Ų196129.3 Ų129.385%0.85274%0.742SS**  trans-79.4105.6164.6-73-175.8175.3-176.50107.9A353 V357A353-K355 PolarHBondContact O-N 3.16Å; K355-V357 PolarHBondContact O-N 3.19Å
356E34.8Very low43.8Very low177 Ų177127.9 Ų127.983%0.82773%0.733SS**  trans-64.2114167.8-71.6-168.9119.300109.7A354 V358A354-E356 PolarHBondContact O-N 3.15Å; E356-V358 PolarHBondContact O-N 2.81Å
357V41Very low45.2Very low117 Ų117126.4 Ų126.471%0.70973%0.734SS**  trans-88.990.8173.2-176.80000108.3K355 I359K355-V357 PolarHBondContact O-N 3.19Å; V357-I359 HydrophobicContact CG1-CG1 4.04Å; V357-I359 PolarHBondContact O-N 3.35Å
358V43Very low46.9Very low111 Ų111127.8 Ų127.867%0.67374%0.743SS**  trans-7488.5176.7-176.70000109.6E356 K360E356-V358 PolarHBondContact O-N 2.81Å; V358-K360 HydrophobicContact CG1-CG 4.45Å; V358-K360 PolarHBondContact O-N 3.4Å
359I48.4Very low49.2Very low147 Ų147121.7 Ų121.775%0.75473%0.725SS**  trans-69.795.6173.2-55179.1000108.7V357 G361V357-I359 HydrophobicContact CG1-CG1 4.04Å; V357-I359 PolarHBondContact O-N 3.35Å; I359-G361 PolarHBondContact O-N 3.39Å
360K49.4Very low50.7Low191 Ų191115 Ų11583%0.8371%0.713SS**  trans-70.197.9166.4-71.5-176.4178.4179.30108.6V358 G362V358-K360 HydrophobicContact CG1-CG 4.45Å; V358-K360 PolarHBondContact O-N 3.4Å; K360-G362 PolarHBondContact O-N 3.08Å
361G40.7Very low52.1Low73 Ų73112.9 Ų112.975%0.75370%0.7SS**  trans-65.289.8174.300000111.6I359 A363I359-G361 PolarHBondContact O-N 3.39Å; G361-A363 PolarHBondContact O-N 2.64Å
362G44.7Very low54Low74 Ų74111.8 Ų111.876%0.76369%0.689SS**  trans-73102.4166.400000109.2K360 A364K360-G362 PolarHBondContact O-N 3.08Å; G362-A364 PolarHBondContact O-N 2.84Å
363A55Low55.2Low53 Ų53115.5 Ų115.544%0.43869%0.693SS.*PPolyproline II helixtrans-65.5119178.600000110.5G361 V372 H373G361-A363 PolarHBondContact O-N 2.64Å; A363-V372 HydrophobicContact CB-CG1 3.4Å; A363-V372 VanDerWaalsContact CB-CG1 3.4Å; A363-V372 WeakPolarHBondContact O-CG1 3.48Å; A363-H373 VanDerWaalsContact CB-O 3.3Å; A363-H373 WeakPolarHBondContact CB-O 3.25Å
364A60.9Low56.1Low83 Ų83116.6 Ų116.669%0.68669%0.689SS**PPolyproline II helixtrans-80.7140.5177.600000110.6G362G362-A364 PolarHBondContact O-N 2.84Å
365P58.4Low57.1Low78 Ų78117.5 Ų117.551%0.50668%0.683SS.*PPolyproline II helixtrans-66.6136.5178.527.3-34000111.4K371 V372P365-K371 WeakPolarHBondContact CA-O 3.15Å; P365-V372 HydrophobicContact CB-CG2 4.07Å
366C67.7Low58.1Low45 Ų45113.2 Ų113.230%0.30467%0.673SS.*PPolyproline II helixtrans-69.5123.5179.2173.20000110.7K368 C369 G370 K371C366-K368 PolarHBondContact O-N 3.2Å; C366-C369 PolarHBondContact O-N 3.16Å; C366-C369 VanDerWaalsContact O-N 3.12Å; C366-G370 PolarHBondContact O-N 2.92Å; C366-K371 PolarHBondContact N-O 3.43Å
367P70.2Confident59.5Low132 Ų132109.4 Ų109.486%0.85766%0.664SS**THydrogen-bonded Turntrans-67.9-7.6-172.727.3-36000114.4
368K76.5Confident60.6Low203 Ų203108.9 Ų108.988%0.88366%0.661SS**THydrogen-bonded Turntrans-93.6-14.7176.4-67-174.1177-177.20114.4C366C366-K368 PolarHBondContact O-N 3.2Å
369C84.3Confident61.8Low67 Ų67108.8 Ų108.845%0.45366%0.661SS.*THydrogen-bonded Turntrans-142.9-4.1-175.665.40000114.9C366 K371C366-C369 PolarHBondContact O-N 3.16Å; C366-C369 VanDerWaalsContact O-N 3.12Å; C369-K371 PolarHBondContact O-N 2.81Å; C369-K371 VanDerWaalsContact O-N 3.07Å
370G68.4Low62.8Low60 Ų60106.1 Ų106.162%0.61965%0.654SS**  trans70-3.6179.800000115.3C366C366-G370 PolarHBondContact O-N 2.92Å
371K64Low63.8Low143 Ų14399.5 Ų99.562%0.62264%0.64SS**  trans-88.7140.1-177.6-64.7-172.2179.5-1770111.8P365 C366 C369 H373P365-K371 WeakPolarHBondContact CA-O 3.15Å; C366-K371 PolarHBondContact N-O 3.43Å; C369-K371 PolarHBondContact O-N 2.81Å; C369-K371 VanDerWaalsContact O-N 3.07Å; K371-H373 PolarHBondContact O-CD2 3.13Å
372V73.6Confident65.7Low93 Ų93101.8 Ų101.856%0.56463%0.631SS**  trans-77.1139.1166.3-179.80000108.1A363 P365A363-V372 HydrophobicContact CB-CG1 3.4Å; A363-V372 VanDerWaalsContact CB-CG1 3.4Å; A363-V372 WeakPolarHBondContact O-CG1 3.48Å; P365-V372 HydrophobicContact CB-CG2 4.07Å
373H64.9Low67.6Low190 Ų190104.3 Ų104.388%0.8862%0.619SS**  trans-129.10-173.5-80.6-73.7000111.4A363 K371A363-H373 VanDerWaalsContact CB-O 3.3Å; A363-H373 WeakPolarHBondContact CB-O 3.25Å; K371-H373 PolarHBondContact O-CD2 3.13Å

Retrieved 373 of 373 residues in 130.9 ms (Link to these results)