A0A077YVG8_TRITR Loading...

HLH domain containing protein

AlphaFold DB , UniProt , Accession A0A077YVG8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 176 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
1M48.8Very low46.2Very low233 Ų233156.7 Ų156.7100%1.14882%0.815SS**  01100-82.4172.2170.400106.6
2E43.9Very low46.2Very low177 Ų177151.3 Ų151.383%0.82781%0.81SS**  trans-63.7131.4-169.7-65.1-84.512900112.3
3H50.4Low45.9Very low184 Ų184153.2 Ų153.285%0.85281%0.811SS**  trans-127.383.8163.1-70.5-69.2000109
4S45.1Very low45.8Very low92 Ų92147.6 Ų147.664%0.64381%0.809SS**  trans-93.6100.2168168.60000109.3
5S49Very low45.8Very low122 Ų122148.3 Ų148.385%0.85380%0.803SS**  trans-100.386.5165.8-77.10000109.4D7S5-D7 PolarHBondContact O-N 3.15Å
6T55.3Low45.5Very low122 Ų122148.6 Ų148.675%0.74880%0.795SS**  trans-86.293161.745.30000108.4R8T6-R8 PolarHBondContact O-N 3.42Å
7D45.7Very low45.5Very low163 Ų163145 Ų14587%0.87278%0.78SS**  trans-75.9110.2170.4-152.5-1.3000108.5S5 F9S5-D7 PolarHBondContact O-N 3.15Å; D7-F9 PolarHBondContact O-N 3.34Å; D7-F9 VanDerWaalsContact O-N 3.15Å
8R41.6Very low45.8Very low219 Ų219146.4 Ų146.483%0.82678%0.778SS**  trans-70.3105.9179.9-81-175.5-170.4172.63.5109T6 T10T6-R8 PolarHBondContact O-N 3.42Å; R8-T10 PolarHBondContact O-N 3.08Å
9F36.8Very low45.5Very low186 Ų186143 Ų14382%0.81677%0.773SS**  trans-69.597.7164.8-167.3-107.1000109.4D7 V11D7-F9 PolarHBondContact O-N 3.34Å; D7-F9 VanDerWaalsContact O-N 3.15Å; F9-V11 HydrophobicContact CD1-CG2 3.58Å; F9-V11 HydrophobicContact CE1-CG2 3.6Å; F9-V11 PolarHBondContact O-N 3.24Å
10T44.3Very low45.4Very low119 Ų119139 Ų13973%0.7377%0.767SS**  trans-76.4102.3169.346.20000108.7R8 A12R8-T10 PolarHBondContact O-N 3.08Å; T10-A12 VanDerWaalsContact C-N 3.28Å; T10-A12 PolarHBondContact O-N 3.02Å
11V47.8Very low45.3Very low107 Ų107141.1 Ų141.165%0.64877%0.771SS**  trans-69.192.5165.5-178.90000106.7F9 E13F9-V11 HydrophobicContact CD1-CG2 3.58Å; F9-V11 HydrophobicContact CE1-CG2 3.6Å; F9-V11 PolarHBondContact O-N 3.24Å; V11-E13 PolarHBondContact O-N 2.94Å
12A45.7Very low45.4Very low92 Ų92137.3 Ų137.376%0.7675%0.748SS**  trans-62.8106.4167.300000107.6T10 G14T10-A12 VanDerWaalsContact C-N 3.28Å; T10-A12 PolarHBondContact O-N 3.02Å; A12-G14 PolarHBondContact O-N 3.02Å
13E43Very low45.8Very low176 Ų176137.5 Ų137.582%0.82275%0.746SS**  trans-5999.9171.1-65.4-153.6158.500109V11 H15V11-E13 PolarHBondContact O-N 2.94Å; E13-H15 PolarHBondContact O-N 3.29Å
14G43.7Very low45.8Very low75 Ų75135.8 Ų135.877%0.77374%0.739SS**  trans-7180.3165.900000108.6A12 F16A12-G14 PolarHBondContact O-N 3.02Å; G14-F16 PolarHBondContact O-N 3.09Å
15H45.6Very low46.3Very low158 Ų158140 Ų14073%0.73175%0.746SS**  trans-57.997.7170.6-170.3-139.5000108.3E13 T17E13-H15 PolarHBondContact O-N 3.29Å; H15-T17 VanDerWaalsContact C-N 3.31Å; H15-T17 PolarHBondContact O-N 3.16Å
16F41.7Very low46.4Very low152 Ų152142.8 Ų142.867%0.66774%0.742SS**  trans-73.188.3177.3-177.2-98.1000108.6G14 F18 A68G14-F16 PolarHBondContact O-N 3.09Å; F16-F18 HydrophobicContact CE1-CB 4.19Å; F16-F18 HydrophobicContact CE1-CD2 4.35Å; F16-F18 PolarHBondContact O-N 3.27Å; F16-A68 HydrophobicContact CE2-CB 3.92Å
17T45Very low45.9Very low88 Ų88140.1 Ų140.154%0.5473%0.728SS.*  trans-76.8106.2169.956.50000108.4H15 A19H15-T17 VanDerWaalsContact C-N 3.31Å; H15-T17 PolarHBondContact O-N 3.16Å; T17-A19 PolarHBondContact O-N 3.24Å
18F51.1Low46.1Very low170 Ų170135.2 Ų135.275%0.74671%0.706SS**  trans-63.53.8164.4-174.9-102.4000112.5F16 G20F16-F18 HydrophobicContact CE1-CB 4.19Å; F16-F18 HydrophobicContact CE1-CD2 4.35Å; F16-F18 PolarHBondContact O-N 3.27Å; F18-G20 PolarHBondContact O-N 2.85Å
19A40.9Very low46.4Very low82 Ų82130 Ų13068%0.67870%0.699SS**  trans-74.850.8178.700000113.1T17 Q21T17-A19 PolarHBondContact O-N 3.24Å; A19-Q21 PolarHBondContact O-N 3.5Å
20G43Very low46.8Very low63 Ų63128.7 Ų128.765%0.64970%0.695SS**  trans-77.893.9154.600000108F18 F22F18-G20 PolarHBondContact O-N 2.85Å; G20-F22 PolarHBondContact O-N 3.02Å
21Q42.1Very low46.5Very low184 Ų184128.1 Ų128.186%0.8670%0.696SS**  trans-62.179.8168.5-67.3-176.318.900109.5A19 K23A19-Q21 PolarHBondContact O-N 3.5Å; Q21-K23 PolarHBondContact O-N 3.23Å; Q21-K23 VanDerWaalsContact O-N 3.14Å
22F51.5Low46.4Very low153 Ų153127.6 Ų127.667%0.67170%0.703SS**  trans-78.5103.2169.7-133.7-90.7000106.8G20 E24G20-F22 PolarHBondContact O-N 3.02Å; F22-E24 VanDerWaalsContact C-N 3.32Å; F22-E24 PolarHBondContact O-N 2.89Å
23K51.7Low46.1Very low181 Ų181133 Ų13379%0.78771%0.709SS**  trans-52.7104.7163.6-71.6-172.9177-176.50106.3Q21 K25Q21-K23 PolarHBondContact O-N 3.23Å; Q21-K23 VanDerWaalsContact O-N 3.14Å; K23-K25 PolarHBondContact O-N 2.89Å
24E52.1Low46.1Very low148 Ų148133.8 Ų133.869%0.69271%0.71SS**  trans-61.796.6169.7-80-169.3154.200106.5F22 K26F22-E24 VanDerWaalsContact C-N 3.32Å; F22-E24 PolarHBondContact O-N 2.89Å; E24-K26 PolarHBondContact O-N 3.25Å
25K55Low46Very low181 Ų181136 Ų13679%0.78771%0.713SS**  trans-60.8103.4157.2-67.8-172.4-179.51790104.2K23 C27K23-K25 PolarHBondContact O-N 2.89Å; K25-C27 PolarHBondContact O-N 3.04Å
26K50.6Low46.5Very low180 Ų180137.3 Ų137.378%0.78372%0.717SS**  trans-44145161.1-78.5179.2177.5174.90106.2E24 S28E24-K26 PolarHBondContact O-N 3.25Å; K26-S28 PolarHBondContact O-N 3.01Å
27C44.2Very low46.9Very low66 Ų66136.4 Ų136.445%0.44672%0.724SS.*  trans-65.875.1165.6-155.30000105.4K25 T29 C50K25-C27 PolarHBondContact O-N 3.04Å; C27-T29 PolarHBondContact O-N 3.33Å; C27-C50 HydrophobicContact CB-CB 3.96Å; C27-C50 WeakPolarHBondContact CB-SG 3.47Å; C27-C50 VanDerWaalsContact SG-CA 3.55Å; C27-C50 WeakPolarHBondContact SG-CB 3.39Å; C27-C50 CovalentContact SG-SG 2.05Å; C27-C50 PolarHBondContact SG-SG 3.09Å
28S50Low47.5Very low60 Ų60138.5 Ų138.542%0.4273%0.728SS.*  trans-84.4111.3-176.6-1660000104K26 H30K26-S28 PolarHBondContact O-N 3.01Å; S28-H30 WeakPolarHBondContact CB-CD2 3.44Å; S28-H30 PolarHBondContact O-N 2.89Å; S28-H30 PolarHBondContact OG-CD2 3.39Å; S28-H30 PolarHBondContact OG-NE2 3.12Å
29T48.5Very low47.9Very low110 Ų110134.4 Ų134.468%0.67572%0.717SS**  trans-60.766.315748.90000108.2C27 S31 I46C27-T29 PolarHBondContact O-N 3.33Å; T29-S31 PolarHBondContact O-N 3.38Å; T29-I46 HydrophobicContact CG2-CG2 4.22Å
30H44.5Very low49.1Very low158 Ų158135.8 Ų135.873%0.73172%0.717SS**  trans-76.382.4164.4-81.2-57.9000106.8S28 A32S28-H30 WeakPolarHBondContact CB-CD2 3.44Å; S28-H30 PolarHBondContact O-N 2.89Å; S28-H30 PolarHBondContact OG-CD2 3.39Å; S28-H30 PolarHBondContact OG-NE2 3.12Å; H30-A32 PolarHBondContact O-N 3.15Å
31S39.7Very low50.1Low107 Ų107135.4 Ų135.475%0.74871%0.707SS**  29.472.3122.1-152.30000113.9T29 K33T29-S31 PolarHBondContact O-N 3.38Å; S31-K33 PolarHBondContact O-N 3.33Å
32A45.3Very low51.4Low96 Ų96130 Ų13079%0.79368%0.684SS**  trans-84.597.8153.800000106.3H30 K34H30-A32 PolarHBondContact O-N 3.15Å; A32-K34 PolarHBondContact O-N 3.06Å
33K38.4Very low52.3Low205 Ų205128.5 Ų128.589%0.89168%0.678SS**  trans-25.6100.2167.5-66.7168.8175.4175.50113S31S31-K33 PolarHBondContact O-N 3.33Å
34K42.9Very low53.3Low192 Ų192124 Ų12484%0.83566%0.662SS**  trans-162116.7148.8-153.8161.4-176171.10110A32 K36A32-K34 PolarHBondContact O-N 3.06Å; K34-K36 PolarHBondContact O-N 3.08Å; K34-K36 VanDerWaalsContact O-N 3.15Å
35S42.2Very low54.7Low122 Ų122121.1 Ų121.185%0.85366%0.655SS**  trans-49.9107.5171.849.30000112.3
36K56Low55.9Low186 Ų186115.7 Ų115.781%0.80963%0.633SS**  trans-155.5127.5160.1-157.2164.9-178.2175.30108.4K34 E38K34-K36 PolarHBondContact O-N 3.08Å; K34-K36 VanDerWaalsContact O-N 3.15Å; K36-E38 PolarHBondContact O-N 2.9Å
37T50.3Low57.3Low132 Ų132108.9 Ų108.981%0.8161%0.611SS**  trans-49.8107.3176.832.80000111T39T37-T39 PolarHBondContact O-N 3.37Å
38E56.9Low58.9Low132 Ų132109.7 Ų109.762%0.61761%0.613SS**  trans-65.1116.2176.9-70.8-178.9167.400110K36K36-E38 PolarHBondContact O-N 2.9Å
39T61.3Low60.5Low84 Ų84109.5 Ų109.552%0.51562%0.616SS.*  trans-79.3153.4176.9-43.80000108.5T37 A41 D42T37-T39 PolarHBondContact O-N 3.37Å; T39-A41 PolarHBondContact O-N 2.69Å; T39-D42 PolarHBondContact N-OD2 3.07Å; T39-D42 WeakPolarHBondContact O-CB 3.46Å; T39-D42 PolarHBondContact O-N 2.93Å
40T65.1Low62.1Low112 Ų112105.7 Ų105.769%0.68759%0.593SS**Hα-helixtrans-53.2-28.9177.150.20000113.2K43 L44T40-K43 PolarHBondContact O-N 3.43Å; T40-L44 PolarHBondContact O-N 3.46Å
41A63.3Low63.7Low54 Ų54104.5 Ų104.545%0.44658%0.582SS.*Hα-helixtrans-60.6-40.7172.200000113.2T39 K43 L44 T45T39-A41 PolarHBondContact O-N 2.69Å; A41-K43 VanDerWaalsContact C-N 3.32Å; A41-K43 PolarHBondContact O-N 3.37Å; A41-L44 PolarHBondContact O-N 2.95Å; A41-T45 WeakPolarHBondContact O-CG2 3.47Å; A41-T45 PolarHBondContact O-N 3.23Å; A41-T45 VanDerWaalsContact O-N 3.14Å
42D70.4Confident66.2Low70 Ų70103.4 Ų103.437%0.37457%0.568SS.*Hα-helixtrans-67.5-34.2-178.8-58.5-38.3000111.4T39 L44 T45 I46T39-D42 PolarHBondContact N-OD2 3.07Å; T39-D42 WeakPolarHBondContact O-CB 3.46Å; T39-D42 PolarHBondContact O-N 2.93Å; D42-L44 VanDerWaalsContact C-N 3.34Å; D42-L44 PolarHBondContact O-N 3.27Å; D42-T45 WeakPolarHBondContact CA-OG1 3.5Å; D42-T45 PolarHBondContact O-N 3.26Å; D42-T45 PolarHBondContact O-OG1 2.88Å; D42-I46 WeakPolarHBondContact O-CB 3.46Å; D42-I46 WeakPolarHBondContact O-CD1 3.33Å; D42-I46 WeakPolarHBondContact O-CG1 3.34Å; D42-I46 PolarHBondContact O-N 2.97Å
43K70.4Confident68Low123 Ų123100.5 Ų100.554%0.53554%0.544SS..Hα-helixtrans-65.2-38.8176.2-63.3-177.8-179.1-179.30111.8T40 A41 A47T40-K43 PolarHBondContact O-N 3.43Å; A41-K43 VanDerWaalsContact C-N 3.32Å; A41-K43 PolarHBondContact O-N 3.37Å; K43-A47 WeakPolarHBondContact O-CB 3.38Å; K43-A47 PolarHBondContact O-N 3.33Å
44L72.7Confident70.5Confident85 Ų8597.1 Ų97.145%0.44553%0.525SS..Hα-helixtrans-67.5-42.2176.7-66.5175.9000111.4T40 A41 D42 A47 V48 L151T40-L44 PolarHBondContact O-N 3.46Å; A41-L44 PolarHBondContact O-N 2.95Å; D42-L44 VanDerWaalsContact C-N 3.34Å; D42-L44 PolarHBondContact O-N 3.27Å; L44-A47 PolarHBondContact O-N 2.84Å; L44-V48 VanDerWaalsContact O-CG2 3.31Å; L44-V48 WeakPolarHBondContact O-CG2 3.27Å; L44-V48 PolarHBondContact O-N 3.47Å; L44-L151 HydrophobicContact CD1-CD2 4.29Å; L44-L151 HydrophobicContact CD2-CD1 3.77Å
45T81Confident72.8Confident89 Ų8991.9 Ų91.955%0.54650%0.504SS..Hα-helixtrans-65.2-41.1177.7620000111.6A41 D42 V48 A49A41-T45 WeakPolarHBondContact O-CG2 3.47Å; A41-T45 PolarHBondContact O-N 3.23Å; A41-T45 VanDerWaalsContact O-N 3.14Å; D42-T45 WeakPolarHBondContact CA-OG1 3.5Å; D42-T45 PolarHBondContact O-N 3.26Å; D42-T45 PolarHBondContact O-OG1 2.88Å; T45-V48 PolarHBondContact O-N 3.44Å; T45-A49 WeakPolarHBondContact O-CB 3.47Å; T45-A49 PolarHBondContact O-N 2.95Å
46I79.8Confident75.1Confident67 Ų6795.4 Ų95.434%0.34450%0.499SS..Hα-helixtrans-62.3-44.6174.1-66.2163.7000111T29 D42 V48 A49 C50T29-I46 HydrophobicContact CG2-CG2 4.22Å; D42-I46 WeakPolarHBondContact O-CB 3.46Å; D42-I46 WeakPolarHBondContact O-CD1 3.33Å; D42-I46 WeakPolarHBondContact O-CG1 3.34Å; D42-I46 PolarHBondContact O-N 2.97Å; I46-V48 PolarHBondContact O-N 3.24Å; I46-A49 WeakPolarHBondContact O-CB 3.3Å; I46-A49 PolarHBondContact O-N 3.25Å; I46-C50 PolarHBondContact O-N 2.75Å
47A80.9Confident76.7Confident37 Ų3791 Ų9131%0.30648%0.477SS..Hα-helixtrans-62.6-42.8178.500000112.2K43 L44 C50 R51K43-A47 WeakPolarHBondContact O-CB 3.38Å; K43-A47 PolarHBondContact O-N 3.33Å; L44-A47 PolarHBondContact O-N 2.84Å; A47-C50 PolarHBondContact O-N 2.99Å; A47-R51 WeakPolarHBondContact O-CB 3.45Å; A47-R51 PolarHBondContact O-N 2.68Å
48V77.7Confident78.9Confident82 Ų8291.1 Ų91.150%0.49746%0.462SS..Hα-helixtrans-62.4-43.7173.8171.70000110.6L44 T45 I46 C50 R51 N52L44-V48 VanDerWaalsContact O-CG2 3.31Å; L44-V48 WeakPolarHBondContact O-CG2 3.27Å; L44-V48 PolarHBondContact O-N 3.47Å; T45-V48 PolarHBondContact O-N 3.44Å; I46-V48 PolarHBondContact O-N 3.24Å; V48-C50 PolarHBondContact O-N 3.4Å; V48-R51 WeakPolarHBondContact O-CB 3.41Å; V48-R51 PolarHBondContact O-N 3.26Å; V48-N52 PolarHBondContact O-N 3.33Å
49A82.8Confident80.7Confident57 Ų5787.2 Ų87.247%0.47145%0.448SS..Hα-helixtrans-60.8-46.2177.200000112.1T45 I46 R51 N52 A53T45-A49 WeakPolarHBondContact O-CB 3.47Å; T45-A49 PolarHBondContact O-N 2.95Å; I46-A49 WeakPolarHBondContact O-CB 3.3Å; I46-A49 PolarHBondContact O-N 3.25Å; A49-R51 VanDerWaalsContact C-N 3.34Å; A49-R51 PolarHBondContact O-N 2.9Å; A49-N52 PolarHBondContact O-N 3.46Å; A49-A53 WeakPolarHBondContact O-CB 3.39Å; A49-A53 PolarHBondContact O-N 2.87Å
50C82.2Confident82.1Confident30 Ų3088 Ų8820%0.20345%0.445CS..Hα-helixtrans-64.1-37.2174.7-77.10000112.3C27 I46 A47 V48 A53 R54C27-C50 HydrophobicContact CB-CB 3.96Å; C27-C50 WeakPolarHBondContact CB-SG 3.47Å; C27-C50 VanDerWaalsContact SG-CA 3.55Å; C27-C50 WeakPolarHBondContact SG-CB 3.39Å; C27-C50 CovalentContact SG-SG 2.05Å; C27-C50 PolarHBondContact SG-SG 3.09Å; I46-C50 PolarHBondContact O-N 2.75Å; A47-C50 PolarHBondContact O-N 2.99Å; V48-C50 PolarHBondContact O-N 3.4Å; C50-A53 PolarHBondContact O-N 3.35Å; C50-R54 PolarHBondContact O-N 3.46Å
51R79.5Confident83.4Confident132 Ų13288.4 Ų88.450%0.49844%0.438SS..Hα-helixtrans-61.7-47.9174.1177.2176.4177.9156.10.4111.3A47 V48 A49 A53 R54 E55A47-R51 WeakPolarHBondContact O-CB 3.45Å; A47-R51 PolarHBondContact O-N 2.68Å; V48-R51 WeakPolarHBondContact O-CB 3.41Å; V48-R51 PolarHBondContact O-N 3.26Å; A49-R51 VanDerWaalsContact C-N 3.34Å; A49-R51 PolarHBondContact O-N 2.9Å; R51-A53 VanDerWaalsContact C-N 3.35Å; R51-A53 PolarHBondContact O-N 3Å; R51-R54 WeakPolarHBondContact O-CB 3.47Å; R51-R54 PolarHBondContact O-N 3.49Å; R51-E55 PolarHBondContact O-N 3.19Å
52N90.4Very high84.8Confident84 Ų8488.5 Ų88.545%0.44943%0.432SS..Hα-helixtrans-64.4-39.5177.9-70.9-9.6000111.7V48 A49 R54 E55 R56V48-N52 PolarHBondContact O-N 3.33Å; A49-N52 PolarHBondContact O-N 3.46Å; N52-R54 VanDerWaalsContact C-N 3.3Å; N52-R54 PolarHBondContact O-N 3.04Å; N52-E55 PolarHBondContact O-N 3.38Å; N52-R56 WeakPolarHBondContact O-CG 3.39Å; N52-R56 PolarHBondContact O-N 2.82Å
53A84.4Confident86.1Confident35 Ų3587.7 Ų87.729%0.28943%0.428SS..Hα-helixtrans-63.7-35175.200000112.5A49 C50 R51 R57A49-A53 WeakPolarHBondContact O-CB 3.39Å; A49-A53 PolarHBondContact O-N 2.87Å; C50-A53 PolarHBondContact O-N 3.35Å; R51-A53 VanDerWaalsContact C-N 3.35Å; R51-A53 PolarHBondContact O-N 3Å; A53-R57 WeakPolarHBondContact O-CG 3.39Å; A53-R57 PolarHBondContact O-N 3.42Å; A53-R57 PolarHBondContact O-NE 2.93Å
54R90.2Very high87.2Confident134 Ų13486.3 Ų86.351%0.50642%0.424SS..Hα-helixtrans-68.2-44.6172.9-176.3177.764.8-109.55.4111.4C50 R51 N52 R56 R57 R58C50-R54 PolarHBondContact O-N 3.46Å; R51-R54 WeakPolarHBondContact O-CB 3.47Å; R51-R54 PolarHBondContact O-N 3.49Å; N52-R54 VanDerWaalsContact C-N 3.3Å; N52-R54 PolarHBondContact O-N 3.04Å; R54-R56 PolarHBondContact O-N 3.27Å; R54-R57 WeakPolarHBondContact O-CB 3.45Å; R54-R57 PolarHBondContact O-N 3.08Å; R54-R58 PolarHBondContact O-N 2.94Å
55E90.5Very high88.3Confident82 Ų8285.1 Ų85.138%0.38343%0.426SS..Hα-helixtrans-63.8-40.8178.9-179.854.4-161.200112.1R51 N52 R57 R58 V59R51-E55 PolarHBondContact O-N 3.19Å; N52-E55 PolarHBondContact O-N 3.38Å; E55-R57 VanDerWaalsContact C-N 3.32Å; E55-R57 PolarHBondContact O-N 3.27Å; E55-R58 WeakPolarHBondContact O-CB 3.38Å; E55-R58 PolarHBondContact O-N 3.36Å; E55-R58 IonicContact OE1-CZ 3.41Å; E55-R58 IonicContact OE1-NE 2.66Å; E55-R58 PolarHBondContact OE1-NE 3.48Å; E55-R58 IonicContact OE1-NH2 3.34Å; E55-R58 PolarHBondContact OE1-NH2 3.26Å; E55-R58 IonicContact OE2-CZ 3.73Å; E55-R58 IonicContact OE2-NE 3.82Å; E55-R58 PolarHBondContact OE2-NE 2.89Å; E55-R58 IonicContact OE2-NH2 3.77Å; E55-V59 WeakPolarHBondContact O-CG2 3.42Å; E55-V59 PolarHBondContact O-N 2.94Å; E55-V59 WeakPolarHBondContact OE1-CG2 3.45Å
56R91.6Very high89.1Confident197 Ų19782.9 Ų82.974%0.74341%0.408SS*.Hα-helixtrans-57-43.5172-75.1178.6179.1168.40.2112.3N52 R54 V59 H60N52-R56 WeakPolarHBondContact O-CG 3.39Å; N52-R56 PolarHBondContact O-N 2.82Å; R54-R56 PolarHBondContact O-N 3.27Å; R56-V59 PolarHBondContact O-N 3.29Å; R56-H60 WeakPolarHBondContact O-CB 3.49Å; R56-H60 PolarHBondContact O-N 3.14Å
57R90.3Very high89.7Confident94 Ų9484.6 Ų84.636%0.35542%0.419SS..Hα-helixtrans-62.6-43.2175.8-78.7-179.3-89.8173.4-15.6112.2A53 R54 E55 H60 K61A53-R57 WeakPolarHBondContact O-CG 3.39Å; A53-R57 PolarHBondContact O-N 3.42Å; A53-R57 PolarHBondContact O-NE 2.93Å; R54-R57 WeakPolarHBondContact O-CB 3.45Å; R54-R57 PolarHBondContact O-N 3.08Å; E55-R57 VanDerWaalsContact C-N 3.32Å; E55-R57 PolarHBondContact O-N 3.27Å; R57-H60 WeakPolarHBondContact O-CB 3.33Å; R57-H60 PolarHBondContact O-N 2.92Å; R57-K61 PolarHBondContact O-N 3.26Å; R57-K61 VanDerWaalsContact O-N 3.08Å
58R96.4Very high90.3Very high133 Ų13384.2 Ų84.250%0.50242%0.415SS..Hα-helixtrans-60.8-48.5176.5-169.6-163.969.577.3-0.1111.3R54 E55 H60 K61 V62R54-R58 PolarHBondContact O-N 2.94Å; E55-R58 WeakPolarHBondContact O-CB 3.38Å; E55-R58 PolarHBondContact O-N 3.36Å; E55-R58 IonicContact OE1-CZ 3.41Å; E55-R58 IonicContact OE1-NE 2.66Å; E55-R58 PolarHBondContact OE1-NE 3.48Å; E55-R58 IonicContact OE1-NH2 3.34Å; E55-R58 PolarHBondContact OE1-NH2 3.26Å; E55-R58 IonicContact OE2-CZ 3.73Å; E55-R58 IonicContact OE2-NE 3.82Å; E55-R58 PolarHBondContact OE2-NE 2.89Å; E55-R58 IonicContact OE2-NH2 3.77Å; R58-H60 VanDerWaalsContact C-N 3.3Å; R58-H60 PolarHBondContact O-N 3.27Å; R58-K61 PolarHBondContact O-N 3.15Å; R58-V62 WeakPolarHBondContact O-CG2 3.46Å; R58-V62 PolarHBondContact O-N 3.29Å; R58-V62 VanDerWaalsContact O-N 3.11Å
59V93.2Very high91.2Very high51 Ų5183.2 Ų83.231%0.30941%0.407SS..Hα-helixtrans-62.9-37.4177.6172.40000111.5E55 R56 V62 N63E55-V59 WeakPolarHBondContact O-CG2 3.42Å; E55-V59 PolarHBondContact O-N 2.94Å; E55-V59 WeakPolarHBondContact OE1-CG2 3.45Å; R56-V59 PolarHBondContact O-N 3.29Å; V59-V62 PolarHBondContact O-N 3.48Å; V59-N63 VanDerWaalsContact O-CG 3.26Å; V59-N63 PolarHBondContact O-N 3.25Å; V59-N63 PolarHBondContact O-ND2 3.41Å
60H91.8Very high91.8Very high100 Ų10082.5 Ų82.546%0.46339%0.393SS..Hα-helixtrans-60.1-50.1175.5-171.658.2000111.5R56 R57 R58 V62 N63 E64R56-H60 WeakPolarHBondContact O-CB 3.49Å; R56-H60 PolarHBondContact O-N 3.14Å; R57-H60 WeakPolarHBondContact O-CB 3.33Å; R57-H60 PolarHBondContact O-N 2.92Å; R58-H60 VanDerWaalsContact C-N 3.3Å; R58-H60 PolarHBondContact O-N 3.27Å; H60-V62 VanDerWaalsContact C-N 3.28Å; H60-V62 PolarHBondContact O-N 2.97Å; H60-N63 WeakPolarHBondContact O-CA 3.46Å; H60-N63 PolarHBondContact O-N 3.02Å; H60-E64 IonicContact CD2-OE1 2.86Å; H60-E64 IonicContact NE2-OE1 3.21Å; H60-E64 PolarHBondContact NE2-OE1 3.11Å; H60-E64 WeakPolarHBondContact O-CG 3.49Å; H60-E64 PolarHBondContact O-N 3.04Å
61K91.6Very high92.3Very high121 Ų12184.2 Ų84.253%0.52641%0.405SS..Hα-helixtrans-56.2-41.4175-71.8-170.5176.3-173.20112.8R57 R58 N63 E64 A65R57-K61 PolarHBondContact O-N 3.26Å; R57-K61 VanDerWaalsContact O-N 3.08Å; R58-K61 PolarHBondContact O-N 3.15Å; K61-N63 VanDerWaalsContact C-N 3.34Å; K61-E64 PolarHBondContact O-N 3.32Å; K61-A65 PolarHBondContact O-N 3.3Å; K61-A65 VanDerWaalsContact O-N 3.15Å
62V94Very high92.9Very high55 Ų5581.8 Ų81.833%0.33341%0.408SS..Hα-helixtrans-63.5-42.8176171.40000110.8R58 V59 H60 A65 F66R58-V62 WeakPolarHBondContact O-CG2 3.46Å; R58-V62 PolarHBondContact O-N 3.29Å; R58-V62 VanDerWaalsContact O-N 3.11Å; V59-V62 PolarHBondContact O-N 3.48Å; H60-V62 VanDerWaalsContact C-N 3.28Å; H60-V62 PolarHBondContact O-N 2.97Å; V62-A65 WeakPolarHBondContact O-CB 3.48Å; V62-A65 PolarHBondContact O-N 3.29Å; V62-F66 HydrophobicContact CG1-CD2 3.9Å; V62-F66 HydrophobicContact CG1-CE2 3.8Å; V62-F66 VanDerWaalsContact O-CD2 3.31Å; V62-F66 WeakPolarHBondContact O-CD2 3.49Å; V62-F66 PolarHBondContact O-N 3.01Å; V62-F66 VanDerWaalsContact O-N 3.08Å
63N96Very high93.2Very high54 Ų5478 Ų7829%0.28939%0.387SS..Hα-helixtrans-67.3-38.6179.2-67.7-19.7000112V59 H60 K61 A65 F66 D67 K85V59-N63 VanDerWaalsContact O-CG 3.26Å; V59-N63 PolarHBondContact O-N 3.25Å; V59-N63 PolarHBondContact O-ND2 3.41Å; H60-N63 WeakPolarHBondContact O-CA 3.46Å; H60-N63 PolarHBondContact O-N 3.02Å; K61-N63 VanDerWaalsContact C-N 3.34Å; N63-A65 VanDerWaalsContact C-N 3.27Å; N63-A65 PolarHBondContact O-N 3.48Å; N63-F66 WeakPolarHBondContact O-CA 3.31Å; N63-F66 WeakPolarHBondContact O-CB 3.34Å; N63-F66 PolarHBondContact O-N 3Å; N63-D67 PolarHBondContact O-N 3.33Å; N63-K85 WeakPolarHBondContact OD1-CE 3.4Å; N63-K85 PolarHBondContact OD1-NZ 3.32Å
64E95.2Very high93.5Very high94 Ų9479.8 Ų79.844%0.43940%0.396SS..Hα-helixtrans-56.4-42.1171.9-69.1174.7146.100111.3H60 K61 F66 D67 A68H60-E64 IonicContact CD2-OE1 2.86Å; H60-E64 IonicContact NE2-OE1 3.21Å; H60-E64 PolarHBondContact NE2-OE1 3.11Å; H60-E64 WeakPolarHBondContact O-CG 3.49Å; H60-E64 PolarHBondContact O-N 3.04Å; K61-E64 PolarHBondContact O-N 3.32Å; E64-F66 PolarHBondContact O-N 2.76Å; E64-D67 PolarHBondContact O-N 2.96Å; E64-A68 WeakPolarHBondContact O-CB 3.32Å; E64-A68 PolarHBondContact O-N 3.47Å
65A95.6Very high93.5Very high59 Ų5978.1 Ų78.149%0.48840%0.401SS..Hα-helixtrans-65-36.1174.800000112.9K61 V62 N63 L69K61-A65 PolarHBondContact O-N 3.3Å; K61-A65 VanDerWaalsContact O-N 3.15Å; V62-A65 WeakPolarHBondContact O-CB 3.48Å; V62-A65 PolarHBondContact O-N 3.29Å; N63-A65 VanDerWaalsContact C-N 3.27Å; N63-A65 PolarHBondContact O-N 3.48Å; A65-L69 WeakPolarHBondContact O-CB 3.5Å; A65-L69 PolarHBondContact O-N 3.39Å
66F96.1Very high93.6Very high42 Ų4274.4 Ų74.418%0.18438%0.384CS..Hα-helixtrans-66.1-38.1173.2-89.9-80.9000112.3V62 N63 E64 K70 K85 I88 L89V62-F66 HydrophobicContact CG1-CD2 3.9Å; V62-F66 HydrophobicContact CG1-CE2 3.8Å; V62-F66 VanDerWaalsContact O-CD2 3.31Å; V62-F66 WeakPolarHBondContact O-CD2 3.49Å; V62-F66 PolarHBondContact O-N 3.01Å; V62-F66 VanDerWaalsContact O-N 3.08Å; N63-F66 WeakPolarHBondContact O-CA 3.31Å; N63-F66 WeakPolarHBondContact O-CB 3.34Å; N63-F66 PolarHBondContact O-N 3Å; E64-F66 PolarHBondContact O-N 2.76Å; F66-K70 WeakPolarHBondContact O-CB 3.41Å; F66-K70 PolarHBondContact O-N 3.08Å; F66-K85 HydrophobicContact CD1-CB 4.36Å; F66-K85 HydrophobicContact CD1-CG 4.18Å; F66-K85 HydrophobicContact CD2-CD 4.4Å; F66-K85 HydrophobicContact CE1-CB 3.86Å; F66-K85 HydrophobicContact CE1-CD 4.39Å; F66-K85 HydrophobicContact CE1-CG 4.02Å; F66-K85 HydrophobicContact CE2-CD 4.07Å; F66-K85 HydrophobicContact CG-CG 4.49Å; F66-K85 HydrophobicContact CZ-CB 4.2Å; F66-K85 HydrophobicContact CZ-CD 4.07Å; F66-K85 HydrophobicContact CZ-CG 4.21Å; F66-I88 HydrophobicContact CD1-CB 4.44Å; F66-I88 HydrophobicContact CD1-CD1 4.19Å; F66-I88 HydrophobicContact CD1-CG2 4.19Å; F66-L89 HydrophobicContact CE1-CD2 4.07Å; F66-L89 HydrophobicContact CE1-CG 4.15Å
67D93.5Very high93.3Very high104 Ų10472.5 Ų72.556%0.55638%0.381SS*.Hα-helixtrans-69.7-40.9177.4-70.4-33.9000111.4N63 E64 K70 S71N63-D67 PolarHBondContact O-N 3.33Å; E64-D67 PolarHBondContact O-N 2.96Å; D67-K70 WeakPolarHBondContact O-CB 3.26Å; D67-K70 PolarHBondContact O-N 3.45Å; D67-S71 PolarHBondContact O-N 3Å
68A93.7Very high92.8Very high28 Ų2877 Ų7723%0.23141%0.406CS..Hα-helixtrans-58.6-50.6171.500000111F16 E64 K70 S71 C72F16-A68 HydrophobicContact CE2-CB 3.92Å; E64-A68 WeakPolarHBondContact O-CB 3.32Å; E64-A68 PolarHBondContact O-N 3.47Å; A68-K70 VanDerWaalsContact C-N 3.31Å; A68-K70 PolarHBondContact O-N 2.86Å; A68-S71 WeakPolarHBondContact O-CB 3.27Å; A68-S71 PolarHBondContact O-N 3.49Å; A68-S71 VanDerWaalsContact O-N 3.09Å; A68-S71 PolarHBondContact O-OG 2.76Å; A68-C72 PolarHBondContact O-N 3.05Å; A68-C72 PolarHBondContact O-SG 3.25Å
69L95.9Very high92.1Very high62 Ų6276.6 Ų76.633%0.32540%0.404SS..Hα-helixtrans-56.3-45.8175.3177.858.4000111.2A65 S71 C72 L73 I88 A92A65-L69 WeakPolarHBondContact O-CB 3.5Å; A65-L69 PolarHBondContact O-N 3.39Å; L69-S71 VanDerWaalsContact C-N 3.26Å; L69-S71 PolarHBondContact O-N 3.32Å; L69-C72 PolarHBondContact O-N 3.08Å; L69-L73 HydrophobicContact CG-CD1 4.38Å; L69-L73 WeakPolarHBondContact O-CG 3.48Å; L69-I88 HydrophobicContact CB-CG2 4.31Å; L69-I88 HydrophobicContact CD2-CG2 3.65Å; L69-I88 HydrophobicContact CG-CG2 3.76Å; L69-A92 HydrophobicContact CD1-CB 4.06Å; L69-A92 HydrophobicContact CD2-CB 4.29Å; L69-A92 HydrophobicContact CG-CB 4.49Å
70K94.7Very high91.7Very high41 Ų4181.1 Ų81.118%0.17843%0.432CS..Hα-helixtrans-56.6-39.6177.6-175-167.6166.2-1660112.1F66 D67 A68 C72 L73 L76 R79 R81 V83 I88F66-K70 WeakPolarHBondContact O-CB 3.41Å; F66-K70 PolarHBondContact O-N 3.08Å; D67-K70 WeakPolarHBondContact O-CB 3.26Å; D67-K70 PolarHBondContact O-N 3.45Å; A68-K70 VanDerWaalsContact C-N 3.31Å; A68-K70 PolarHBondContact O-N 2.86Å; K70-C72 VanDerWaalsContact C-N 3.29Å; K70-C72 PolarHBondContact O-N 2.92Å; K70-L73 PolarHBondContact O-N 3.06Å; K70-L76 HydrophobicContact CG-CB 4.06Å; K70-L76 HydrophobicContact CG-CD1 4.39Å; K70-R79 PolarHBondContact NZ-O 3.25Å; K70-R81 PolarHBondContact NZ-O 2.9Å; K70-V83 HydrophobicContact CD-CB 4.49Å; K70-V83 HydrophobicContact CD-CG2 4.29Å; K70-I88 HydrophobicContact CB-CD1 4.17Å; K70-I88 HydrophobicContact CB-CG1 4.36Å; K70-I88 HydrophobicContact CG-CG1 4.47Å
71S92.8Very high91.5Very high66 Ų6685.8 Ų85.846%0.46245%0.446SS..Hα-helixtrans-66.5-28.6-177.178.50000113.8D67 A68 L69D67-S71 PolarHBondContact O-N 3Å; A68-S71 WeakPolarHBondContact O-CB 3.27Å; A68-S71 PolarHBondContact O-N 3.49Å; A68-S71 VanDerWaalsContact O-N 3.09Å; A68-S71 PolarHBondContact O-OG 2.76Å; L69-S71 VanDerWaalsContact C-N 3.26Å; L69-S71 PolarHBondContact O-N 3.32Å
72C93.4Very high91.4Very high82 Ų8291.3 Ų91.355%0.55446%0.463SS*.Hα-helixtrans-80.8-15.4178.4-57.50000113A68 L69 K70 P74A68-C72 PolarHBondContact O-N 3.05Å; A68-C72 PolarHBondContact O-SG 3.25Å; L69-C72 PolarHBondContact O-N 3.08Å; K70-C72 VanDerWaalsContact C-N 3.29Å; K70-C72 PolarHBondContact O-N 2.92Å; C72-P74 WeakPolarHBondContact O-CD 3.22Å
73L95.4Very high91.4Very high3 Ų390 Ų902%0.01646%0.456CS..  trans-85.9116.4-173.9-63.3172.2000111.1L69 K70 T75 L76 K77 I88 A92 Y95L69-L73 HydrophobicContact CG-CD1 4.38Å; L69-L73 WeakPolarHBondContact O-CG 3.48Å; K70-L73 PolarHBondContact O-N 3.06Å; L73-T75 VanDerWaalsContact C-N 3.29Å; L73-T75 PolarHBondContact O-N 3.38Å; L73-L76 HydrophobicContact CB-CB 4.17Å; L73-L76 HydrophobicContact CB-CD1 4.35Å; L73-L76 HydrophobicContact CB-CG 4.32Å; L73-L76 HydrophobicContact CD1-CD1 3.8Å; L73-L76 PolarHBondContact O-N 2.72Å; L73-K77 WeakPolarHBondContact O-CB 3.45Å; L73-K77 PolarHBondContact O-N 3.45Å; L73-I88 HydrophobicContact CD1-CG2 4.01Å; L73-A92 HydrophobicContact CD1-CB 4.26Å; L73-A92 VanDerWaalsContact CD2-CA 3.46Å; L73-A92 HydrophobicContact CD2-CB 3.92Å; L73-Y95 HydrophobicContact CD2-CD1 3.94Å; L73-Y95 HydrophobicContact CD2-CG 4.28Å
74P91.9Very high91.4Very high73 Ų7391 Ų9147%0.47447%0.466SS..Hα-helixtrans-55.7-41.1-174.4-26.634.2000113.6C72 L76 Y95C72-P74 WeakPolarHBondContact O-CD 3.22Å; P74-L76 VanDerWaalsContact C-N 3.27Å; P74-L76 PolarHBondContact O-N 3.33Å; P74-Y95 HydrophobicContact CG-CD2 3.85Å; P74-Y95 HydrophobicContact CG-CE2 3.48Å; P74-Y95 VanDerWaalsContact CG-CE2 3.48Å
75T90.3Very high91.4Very high100 Ų10091.2 Ų91.261%0.61347%0.466SS*.Hα-helixtrans-71.6-17.5-178.859.10000114L73L73-T75 VanDerWaalsContact C-N 3.29Å; L73-T75 PolarHBondContact O-N 3.38Å
76L92.4Very high91.5Very high4 Ų492.9 Ų92.92%0.02147%0.466CS..Hα-helixtrans-114-16-176-57.4-177.1000113.4K70 L73 P74 Q78 R79 V83 I88K70-L76 HydrophobicContact CG-CB 4.06Å; K70-L76 HydrophobicContact CG-CD1 4.39Å; L73-L76 HydrophobicContact CB-CB 4.17Å; L73-L76 HydrophobicContact CB-CD1 4.35Å; L73-L76 HydrophobicContact CB-CG 4.32Å; L73-L76 HydrophobicContact CD1-CD1 3.8Å; L73-L76 PolarHBondContact O-N 2.72Å; P74-L76 VanDerWaalsContact C-N 3.27Å; P74-L76 PolarHBondContact O-N 3.33Å; L76-Q78 VanDerWaalsContact C-N 3.32Å; L76-Q78 PolarHBondContact O-N 3.04Å; L76-R79 WeakPolarHBondContact O-CB 3.08Å; L76-R79 PolarHBondContact O-N 3.18Å; L76-V83 HydrophobicContact CD1-CG1 4.05Å; L76-V83 HydrophobicContact CD2-CG1 4.23Å; L76-V83 HydrophobicContact CD2-CG2 4.34Å; L76-I88 HydrophobicContact CD1-CG1 4.15Å
77K86Confident91.4Very high157 Ų15794.9 Ų94.968%0.68348%0.475SS*.Hα-helixtrans-56.9-40.6-175.8-171.3172.7-177.2177.60113.1L73 R79L73-K77 WeakPolarHBondContact O-CB 3.45Å; L73-K77 PolarHBondContact O-N 3.45Å; K77-R79 VanDerWaalsContact C-N 3.35Å
78Q79.9Confident91.6Very high187 Ų18790.2 Ų90.287%0.87445%0.45SS*.THydrogen-bonded Turntrans-84.7-5.9179.8-64.8174.8-1200113.6L76 T80L76-Q78 VanDerWaalsContact C-N 3.32Å; L76-Q78 PolarHBondContact O-N 3.04Å; Q78-T80 PolarHBondContact O-N 2.87Å
79R81.6Confident91.8Very high125 Ų12592.7 Ų92.747%0.47246%0.459SS..  trans-85.4105.7-175.9-176.9175.4-89.2-178.6-1.7111K70 L76 K77 R81 V83K70-R79 PolarHBondContact NZ-O 3.25Å; L76-R79 WeakPolarHBondContact O-CB 3.08Å; L76-R79 PolarHBondContact O-N 3.18Å; K77-R79 VanDerWaalsContact C-N 3.35Å; R79-R81 VanDerWaalsContact C-N 3.29Å; R79-R81 HydrophobicContact CG-CB 3.93Å; R79-R81 PolarHBondContact O-N 3.47Å; R79-V83 HydrophobicContact CG-CG2 4.31Å
80T83.1Confident91.8Very high147 Ų14796.4 Ų96.490%0.90247%0.469SS*.  trans-67.7-27.4171.257.40000112.7Q78Q78-T80 PolarHBondContact O-N 2.87Å
81R87.8Confident91.9Very high197 Ų19794.6 Ų94.674%0.74346%0.461SS*.SBendtrans-65.3147.5177.9-169.6176.3175.61780.7112.1K70 R79 V83K70-R81 PolarHBondContact NZ-O 2.9Å; R79-R81 VanDerWaalsContact C-N 3.29Å; R79-R81 HydrophobicContact CG-CB 3.93Å; R79-R81 PolarHBondContact O-N 3.47Å; R81-V83 PolarHBondContact O-N 3.23Å
82R91.1Very high92.1Very high237 Ų23792 Ų9289%0.89444%0.444SS*.  trans-52.9133.7169.2-63.5-178.671.8-177.52.1110.7
83V92.4Very high92.2Very high29 Ų2992.3 Ų92.318%0.17644%0.439CS..  trans-116.2138.3177.7-173.90000108.9K70 L76 R79 R81 K87 I88K70-V83 HydrophobicContact CD-CB 4.49Å; K70-V83 HydrophobicContact CD-CG2 4.29Å; L76-V83 HydrophobicContact CD1-CG1 4.05Å; L76-V83 HydrophobicContact CD2-CG1 4.23Å; L76-V83 HydrophobicContact CD2-CG2 4.34Å; R79-V83 HydrophobicContact CG-CG2 4.31Å; R81-V83 PolarHBondContact O-N 3.23Å; V83-K87 HydrophobicContact CG1-CB 3.82Å; V83-K87 HydrophobicContact CG1-CG 3.86Å; V83-I88 HydrophobicContact CB-CG1 4.24Å; V83-I88 HydrophobicContact CG1-CG1 3.83Å
84S95.9Very high92.2Very high73 Ų7397.3 Ų97.351%0.5146%0.462SS..  trans-71150177.766.80000111.6L86 K87 I88S84-L86 VanDerWaalsContact C-N 3.27Å; S84-L86 PolarHBondContact O-N 3.31Å; S84-K87 PolarHBondContact O-N 2.85Å; S84-K87 WeakPolarHBondContact OG-CB 3.48Å; S84-K87 PolarHBondContact OG-N 2.97Å; S84-I88 PolarHBondContact O-N 3.4Å
85K95.8Very high92.4Very high100 Ų10097.9 Ų97.944%0.43546%0.456SS..Hα-helixtrans-54.3-44.5176.9-68.1-173.7174.6-171.90111.6N63 F66 K87 I88 L89N63-K85 WeakPolarHBondContact OD1-CE 3.4Å; N63-K85 PolarHBondContact OD1-NZ 3.32Å; F66-K85 HydrophobicContact CD1-CB 4.36Å; F66-K85 HydrophobicContact CD1-CG 4.18Å; F66-K85 HydrophobicContact CD2-CD 4.4Å; F66-K85 HydrophobicContact CE1-CB 3.86Å; F66-K85 HydrophobicContact CE1-CD 4.39Å; F66-K85 HydrophobicContact CE1-CG 4.02Å; F66-K85 HydrophobicContact CE2-CD 4.07Å; F66-K85 HydrophobicContact CG-CG 4.49Å; F66-K85 HydrophobicContact CZ-CB 4.2Å; F66-K85 HydrophobicContact CZ-CD 4.07Å; F66-K85 HydrophobicContact CZ-CG 4.21Å; K85-K87 VanDerWaalsContact C-N 3.33Å; K85-K87 PolarHBondContact O-N 3.43Å; K85-I88 PolarHBondContact O-N 3.22Å; K85-L89 WeakPolarHBondContact O-CG 3.42Å; K85-L89 PolarHBondContact O-N 2.84Å
86L97.3Very high92.6Very high94 Ų9497.6 Ų97.649%0.49245%0.449SS..Hα-helixtrans-59.6-40.7177-178.560.8000112.7S84 L89 R90S84-L86 VanDerWaalsContact C-N 3.27Å; S84-L86 PolarHBondContact O-N 3.31Å; L86-L89 PolarHBondContact O-N 3.44Å; L86-R90 HydrophobicContact CD1-CG 4.48Å; L86-R90 WeakPolarHBondContact O-CG 3.45Å; L86-R90 PolarHBondContact O-N 2.98Å
87K95.4Very high92.6Very high83 Ų83103.8 Ų103.836%0.36148%0.476SS..Hα-helixtrans-70.4-36.1179.3-176.262.1179.4170.70111.9V83 S84 K85 S91V83-K87 HydrophobicContact CG1-CB 3.82Å; V83-K87 HydrophobicContact CG1-CG 3.86Å; S84-K87 PolarHBondContact O-N 2.85Å; S84-K87 WeakPolarHBondContact OG-CB 3.48Å; S84-K87 PolarHBondContact OG-N 2.97Å; K85-K87 VanDerWaalsContact C-N 3.33Å; K85-K87 PolarHBondContact O-N 3.43Å; K87-S91 WeakPolarHBondContact O-CB 3.36Å; K87-S91 PolarHBondContact O-N 2.96Å; K87-S91 PolarHBondContact O-OG 2.98Å
88I96.7Very high92.9Very high6 Ų699.5 Ų99.53%0.03147%0.465CS..Hα-helixtrans-59.4-49.6171.9-65.4167.4000109.5F66 L69 K70 L73 L76 V83 S84 K85 R90 S91 A92F66-I88 HydrophobicContact CD1-CB 4.44Å; F66-I88 HydrophobicContact CD1-CD1 4.19Å; F66-I88 HydrophobicContact CD1-CG2 4.19Å; L69-I88 HydrophobicContact CB-CG2 4.31Å; L69-I88 HydrophobicContact CD2-CG2 3.65Å; L69-I88 HydrophobicContact CG-CG2 3.76Å; K70-I88 HydrophobicContact CB-CD1 4.17Å; K70-I88 HydrophobicContact CB-CG1 4.36Å; K70-I88 HydrophobicContact CG-CG1 4.47Å; L73-I88 HydrophobicContact CD1-CG2 4.01Å; L76-I88 HydrophobicContact CD1-CG1 4.15Å; V83-I88 HydrophobicContact CB-CG1 4.24Å; V83-I88 HydrophobicContact CG1-CG1 3.83Å; S84-I88 PolarHBondContact O-N 3.4Å; K85-I88 PolarHBondContact O-N 3.22Å; I88-R90 PolarHBondContact O-N 3Å; I88-S91 PolarHBondContact O-N 2.9Å; I88-A92 WeakPolarHBondContact O-CB 3.47Å; I88-A92 PolarHBondContact O-N 3.14Å
89L97.8Very high93.5Very high81 Ų8194.3 Ų94.342%0.42444%0.443SS..Hα-helixtrans-60.4-46.5179.3-65.5174.2000112.6F66 K85 L86 S91 A92 I93F66-L89 HydrophobicContact CE1-CD2 4.07Å; F66-L89 HydrophobicContact CE1-CG 4.15Å; K85-L89 WeakPolarHBondContact O-CG 3.42Å; K85-L89 PolarHBondContact O-N 2.84Å; L86-L89 PolarHBondContact O-N 3.44Å; L89-S91 PolarHBondContact O-N 2.9Å; L89-A92 PolarHBondContact O-N 3.19Å; L89-I93 WeakPolarHBondContact O-CG1 3.45Å; L89-I93 PolarHBondContact O-N 3.38Å; L89-I93 VanDerWaalsContact O-N 3.08Å
90R96.9Very high93.9Very high139 Ų13992 Ų9253%0.52544%0.438SS..Hα-helixtrans-60.1-46.5177.3-74.2178.3177.9160.9-1.6112.1L86 I88 A92 I93 E94L86-R90 HydrophobicContact CD1-CG 4.48Å; L86-R90 WeakPolarHBondContact O-CG 3.45Å; L86-R90 PolarHBondContact O-N 2.98Å; I88-R90 PolarHBondContact O-N 3Å; R90-A92 VanDerWaalsContact C-N 3.28Å; R90-A92 PolarHBondContact O-N 2.99Å; R90-I93 PolarHBondContact O-N 2.92Å; R90-E94 WeakPolarHBondContact O-CG 3.43Å; R90-E94 PolarHBondContact O-N 3.44Å
91S95.8Very high94.2Very high3 Ų389.5 Ų89.52%0.02143%0.426CS..Hα-helixtrans-66.7-31.5-179.5-490000111.6K87 I88 L89 Y95K87-S91 WeakPolarHBondContact O-CB 3.36Å; K87-S91 PolarHBondContact O-N 2.96Å; K87-S91 PolarHBondContact O-OG 2.98Å; I88-S91 PolarHBondContact O-N 2.9Å; L89-S91 PolarHBondContact O-N 2.9Å; S91-Y95 WeakPolarHBondContact O-CB 3.33Å; S91-Y95 PolarHBondContact O-N 3.21Å
92A97Very high94.3Very high12 Ų1284.9 Ų84.910%0.09942%0.423CS..Hα-helixtrans-67-44.2173.600000112.9L69 L73 I88 L89 R90 E94 Y95 I96L69-A92 HydrophobicContact CD1-CB 4.06Å; L69-A92 HydrophobicContact CD2-CB 4.29Å; L69-A92 HydrophobicContact CG-CB 4.49Å; L73-A92 HydrophobicContact CD1-CB 4.26Å; L73-A92 VanDerWaalsContact CD2-CA 3.46Å; L73-A92 HydrophobicContact CD2-CB 3.92Å; I88-A92 WeakPolarHBondContact O-CB 3.47Å; I88-A92 PolarHBondContact O-N 3.14Å; L89-A92 PolarHBondContact O-N 3.19Å; R90-A92 VanDerWaalsContact C-N 3.28Å; R90-A92 PolarHBondContact O-N 2.99Å; A92-E94 VanDerWaalsContact C-N 3.35Å; A92-E94 PolarHBondContact O-N 2.66Å; A92-Y95 PolarHBondContact O-N 2.86Å; A92-I96 WeakPolarHBondContact O-CG1 3.26Å; A92-I96 PolarHBondContact O-N 3.33Å
93I95.9Very high94.2Very high88 Ų8877.1 Ų77.145%0.45140%0.399SS..Hα-helixtrans-60.9-46175.6-65.6164.7000110.4L89 R90 Y95 I96 K97L89-I93 WeakPolarHBondContact O-CG1 3.45Å; L89-I93 PolarHBondContact O-N 3.38Å; L89-I93 VanDerWaalsContact O-N 3.08Å; R90-I93 PolarHBondContact O-N 2.92Å; I93-Y95 VanDerWaalsContact C-N 3.32Å; I93-Y95 PolarHBondContact O-N 3.48Å; I93-I96 PolarHBondContact O-N 3.18Å; I93-K97 HydrophobicContact CG2-CD 4.35Å; I93-K97 WeakPolarHBondContact O-CG 3.38Å; I93-K97 PolarHBondContact O-N 2.75Å; I93-K97 VanDerWaalsContact O-N 3.07Å
94E95.5Very high93.7Very high109 Ų10979.9 Ų79.951%0.50942%0.417SS..Hα-helixtrans-60-42.2176.3-72164.3-160.800111.7R90 A92 K97 C98R90-E94 WeakPolarHBondContact O-CG 3.43Å; R90-E94 PolarHBondContact O-N 3.44Å; A92-E94 VanDerWaalsContact C-N 3.35Å; A92-E94 PolarHBondContact O-N 2.66Å; E94-K97 PolarHBondContact O-N 2.63Å; E94-C98 WeakPolarHBondContact O-CB 3.48Å; E94-C98 PolarHBondContact O-N 3.26Å
95Y95.9Very high92.5Very high84 Ų8483.8 Ų83.833%0.32943%0.427SS..Hα-helixtrans-65.6-44.4179.2-174.8-134.5000112.2L73 P74 S91 A92 I93 K97 C98 L99L73-Y95 HydrophobicContact CD2-CD1 3.94Å; L73-Y95 HydrophobicContact CD2-CG 4.28Å; P74-Y95 HydrophobicContact CG-CD2 3.85Å; P74-Y95 HydrophobicContact CG-CE2 3.48Å; P74-Y95 VanDerWaalsContact CG-CE2 3.48Å; S91-Y95 WeakPolarHBondContact O-CB 3.33Å; S91-Y95 PolarHBondContact O-N 3.21Å; A92-Y95 PolarHBondContact O-N 2.86Å; I93-Y95 VanDerWaalsContact C-N 3.32Å; I93-Y95 PolarHBondContact O-N 3.48Å; Y95-K97 VanDerWaalsContact C-N 3.33Å; Y95-K97 PolarHBondContact O-N 3.36Å; Y95-C98 PolarHBondContact O-N 3.44Å; Y95-L99 HydrophobicContact CD1-CD1 4.04Å; Y95-L99 HydrophobicContact CD2-CD1 4.32Å; Y95-L99 HydrophobicContact CD2-CG 4.09Å; Y95-L99 HydrophobicContact CE1-CD1 3.72Å; Y95-L99 HydrophobicContact CE1-CG 4.43Å; Y95-L99 HydrophobicContact CE2-CD1 4Å; Y95-L99 HydrophobicContact CE2-CD2 3.81Å; Y95-L99 HydrophobicContact CE2-CG 3.79Å; Y95-L99 HydrophobicContact CG-CD1 4.34Å; Y95-L99 VanDerWaalsContact O-CG 3.3Å; Y95-L99 WeakPolarHBondContact O-CG 3.04Å; Y95-L99 PolarHBondContact O-N 3.25Å
96I94.8Very high91.2Very high95 Ų9586.2 Ų86.249%0.48744%0.44SS..Hα-helixtrans-58.2-46.2175-68165.8000110.5A92 I93 C98 L99 Q100A92-I96 WeakPolarHBondContact O-CG1 3.26Å; A92-I96 PolarHBondContact O-N 3.33Å; I93-I96 PolarHBondContact O-N 3.18Å; I96-C98 PolarHBondContact O-N 2.92Å; I96-L99 PolarHBondContact O-N 2.93Å; I96-Q100 HydrophobicContact CG2-CG 4.37Å; I96-Q100 WeakPolarHBondContact O-CB 3.16Å; I96-Q100 VanDerWaalsContact O-CG 3.27Å; I96-Q100 WeakPolarHBondContact O-CG 3.34Å; I96-Q100 PolarHBondContact O-N 2.94Å
97K92.7Very high89.8Confident134 Ų13483.5 Ų83.558%0.58343%0.431SS*.Hα-helixtrans-61.5-42.4178.1-72.1178177.2-172.90112.7I93 E94 Y95 Q100 S101I93-K97 HydrophobicContact CG2-CD 4.35Å; I93-K97 WeakPolarHBondContact O-CG 3.38Å; I93-K97 PolarHBondContact O-N 2.75Å; I93-K97 VanDerWaalsContact O-N 3.07Å; E94-K97 PolarHBondContact O-N 2.63Å; Y95-K97 VanDerWaalsContact C-N 3.33Å; Y95-K97 PolarHBondContact O-N 3.36Å; K97-Q100 PolarHBondContact O-N 3.29Å; K97-S101 PolarHBondContact O-N 3.3Å
98C92.8Very high88.2Confident67 Ų6781.4 Ų81.445%0.45343%0.427SS..Hα-helixtrans-62.4-48.6176.4-177.90000111E94 Y95 I96 Q100 S101 C102E94-C98 WeakPolarHBondContact O-CB 3.48Å; E94-C98 PolarHBondContact O-N 3.26Å; Y95-C98 PolarHBondContact O-N 3.44Å; I96-C98 PolarHBondContact O-N 2.92Å; C98-Q100 VanDerWaalsContact C-N 3.32Å; C98-Q100 PolarHBondContact O-N 3.04Å; C98-S101 PolarHBondContact O-N 3.45Å; C98-S101 VanDerWaalsContact O-N 3.08Å; C98-S101 PolarHBondContact O-OG 3.19Å; C98-C102 PolarHBondContact O-N 2.86Å; C98-C102 VanDerWaalsContact O-N 3.15Å; C98-C102 PolarHBondContact O-SG 2.05Å; C98-C102 VanDerWaalsContact O-SG 3.37Å
99L91.9Very high86.6Confident77 Ų7784.1 Ų84.140%0.40345%0.45SS..Hα-helixtrans-57.2-45.4175.5-69.7175.8000111.5Y95 I96 S101 C102 L103Y95-L99 HydrophobicContact CD1-CD1 4.04Å; Y95-L99 HydrophobicContact CD2-CD1 4.32Å; Y95-L99 HydrophobicContact CD2-CG 4.09Å; Y95-L99 HydrophobicContact CE1-CD1 3.72Å; Y95-L99 HydrophobicContact CE1-CG 4.43Å; Y95-L99 HydrophobicContact CE2-CD1 4Å; Y95-L99 HydrophobicContact CE2-CD2 3.81Å; Y95-L99 HydrophobicContact CE2-CG 3.79Å; Y95-L99 HydrophobicContact CG-CD1 4.34Å; Y95-L99 VanDerWaalsContact O-CG 3.3Å; Y95-L99 WeakPolarHBondContact O-CG 3.04Å; Y95-L99 PolarHBondContact O-N 3.25Å; I96-L99 PolarHBondContact O-N 2.93Å; L99-S101 VanDerWaalsContact C-N 3.28Å; L99-S101 PolarHBondContact O-N 2.9Å; L99-C102 PolarHBondContact O-N 3.46Å; L99-C102 VanDerWaalsContact O-N 3.12Å; L99-L103 WeakPolarHBondContact O-CG 3.39Å; L99-L103 PolarHBondContact O-N 3.21Å
100Q90.6Very high85.1Confident78 Ų7888.5 Ų88.536%0.36447%0.468SS..Hα-helixtrans-58.8-36.7176.3-74.4173.2-38.400112.8I96 K97 C98 C102 L103I96-Q100 HydrophobicContact CG2-CG 4.37Å; I96-Q100 WeakPolarHBondContact O-CB 3.16Å; I96-Q100 VanDerWaalsContact O-CG 3.27Å; I96-Q100 WeakPolarHBondContact O-CG 3.34Å; I96-Q100 PolarHBondContact O-N 2.94Å; K97-Q100 PolarHBondContact O-N 3.29Å; C98-Q100 VanDerWaalsContact C-N 3.32Å; C98-Q100 PolarHBondContact O-N 3.04Å; Q100-C102 VanDerWaalsContact C-N 3.34Å; Q100-L103 PolarHBondContact O-N 2.98Å
101S88.2Confident83.5Confident94 Ų9486.6 Ų86.666%0.65747%0.468SS*.Hα-helixtrans-74.2-21.7177.369.30000114.4K97 C98 L99K97-S101 PolarHBondContact O-N 3.3Å; C98-S101 PolarHBondContact O-N 3.45Å; C98-S101 VanDerWaalsContact O-N 3.08Å; C98-S101 PolarHBondContact O-OG 3.19Å; L99-S101 VanDerWaalsContact C-N 3.28Å; L99-S101 PolarHBondContact O-N 2.9Å
102C89.5Confident81.7Confident99 Ų9989.9 Ų89.967%0.66949%0.491SS*.Hα-helixtrans-88.8-12.1176.8-62.30000113.1C98 L99 Q100C98-C102 PolarHBondContact O-N 2.86Å; C98-C102 VanDerWaalsContact O-N 3.15Å; C98-C102 PolarHBondContact O-SG 2.05Å; C98-C102 VanDerWaalsContact O-SG 3.37Å; L99-C102 PolarHBondContact O-N 3.46Å; L99-C102 VanDerWaalsContact O-N 3.12Å; Q100-C102 VanDerWaalsContact C-N 3.34Å
103L89.1Confident79.6Confident75 Ų7594.4 Ų94.439%0.39352%0.52SS..SBendtrans-80.7143177-70.1172.7000110.3L99 Q100 A107 L111L99-L103 WeakPolarHBondContact O-CG 3.39Å; L99-L103 PolarHBondContact O-N 3.21Å; Q100-L103 PolarHBondContact O-N 2.98Å; L103-A107 HydrophobicContact CB-CB 4.29Å; L103-L111 HydrophobicContact CD1-CD1 3.67Å
104P82Confident77.7Confident86 Ų8694.9 Ų94.956%0.55854%0.537SS*.  trans-54.3147.7171.8-22.332.1000111.2E106 A107 S108P104-E106 PolarHBondContact O-N 3.44Å; P104-E106 VanDerWaalsContact O-N 3.08Å; P104-A107 WeakPolarHBondContact O-CA 3.45Å; P104-A107 WeakPolarHBondContact O-CB 3.3Å; P104-A107 PolarHBondContact O-N 2.87Å; P104-S108 PolarHBondContact O-N 3.48Å; P104-S108 VanDerWaalsContact O-N 3.16Å
105E72Confident75.8Confident155 Ų15598.7 Ų98.772%0.72455%0.552SS**Hα-helixtrans-52.7-35-177.3-164.5175.2176.700112.5A107 S108 A109E105-A107 PolarHBondContact O-N 3.34Å; E105-S108 PolarHBondContact O-N 2.99Å; E105-S108 PolarHBondContact O-OG 3.2Å; E105-A109 PolarHBondContact O-N 3.46Å; E105-A109 VanDerWaalsContact O-N 3.09Å
106E67.7Low73.7Confident152 Ų152101 Ų10171%0.7157%0.57SS**Hα-helixtrans-59.7-32.1176.3-31.4-56.6160.800113.4P104P104-E106 PolarHBondContact O-N 3.44Å; P104-E106 VanDerWaalsContact O-N 3.08Å
107A68.2Low71.4Confident37 Ų37100.2 Ų100.231%0.30657%0.573SS.*Hα-helixtrans-91.5-29.3-179.200000112.1L103 P104 E105 L111L103-A107 HydrophobicContact CB-CB 4.29Å; P104-A107 WeakPolarHBondContact O-CA 3.45Å; P104-A107 WeakPolarHBondContact O-CB 3.3Å; P104-A107 PolarHBondContact O-N 2.87Å; E105-A107 PolarHBondContact O-N 3.34Å; A107-L111 WeakPolarHBondContact O-CD1 3.43Å; A107-L111 WeakPolarHBondContact O-CG 3.35Å
108S61.4Low69.3Low38 Ų38100.4 Ų100.427%0.26659%0.586SS.*Hα-helixtrans-73.4-34.8177.569.60000111.9P104 E105 Q110 L111 S112P104-S108 PolarHBondContact O-N 3.48Å; P104-S108 VanDerWaalsContact O-N 3.16Å; E105-S108 PolarHBondContact O-N 2.99Å; E105-S108 PolarHBondContact O-OG 3.2Å; S108-Q110 VanDerWaalsContact C-N 3.26Å; S108-Q110 PolarHBondContact O-N 2.93Å; S108-L111 PolarHBondContact O-N 3.45Å; S108-S112 PolarHBondContact O-N 3.27Å; S108-S112 PolarHBondContact O-OG 2.92Å
109A63.6Low67.2Low63 Ų63102.9 Ų102.952%0.52159%0.594SS.*THydrogen-bonded Turntrans-60.4-32.2176.300000113.2E105 L111 S112E105-A109 PolarHBondContact O-N 3.46Å; E105-A109 VanDerWaalsContact O-N 3.09Å; A109-L111 VanDerWaalsContact C-N 3.33Å; A109-S112 PolarHBondContact O-OG 2.88Å
110Q64.6Low65Low173 Ų173104.6 Ų104.681%0.80861%0.611SS**THydrogen-bonded Turntrans-76.7-18.8176.1-60.8-171.927.700113.2S108S108-Q110 VanDerWaalsContact C-N 3.26Å; S108-Q110 PolarHBondContact O-N 2.93Å
111L64.7Low63Low100 Ų100108 Ų10852%0.52463%0.632SS.*THydrogen-bonded Turntrans-93-10.9-178.6-65.9165.1000112.8L103 A107 S108 A109L103-L111 HydrophobicContact CD1-CD1 3.67Å; A107-L111 WeakPolarHBondContact O-CD1 3.43Å; A107-L111 WeakPolarHBondContact O-CG 3.35Å; S108-L111 PolarHBondContact O-N 3.45Å; A109-L111 VanDerWaalsContact C-N 3.33Å
112S57.6Low61Low71 Ų71108.4 Ų108.450%0.49763%0.626SS.*THydrogen-bonded Turntrans-103106.1173.847.80000109.5S108 A109S108-S112 PolarHBondContact O-N 3.27Å; S108-S112 PolarHBondContact O-OG 2.92Å; A109-S112 PolarHBondContact O-OG 2.88Å
113P53.6Low59Low108 Ų108107.2 Ų107.270%0.70162%0.616SS**THydrogen-bonded Turn-158.979.259.138.6-13.1000114.1
114A56.4Low57.1Low98 Ų98110.9 Ų110.981%0.8163%0.631SS**SBendtrans-99.7-18.517000000113.4
115F55.6Low55.3Low188 Ų188113.1 Ų113.183%0.82564%0.638SS**SBendtrans-100.9-16.6-170.8-165.2-103.3000114.5
116N51.8Low54.4Low133 Ų133114.6 Ų114.671%0.71164%0.637SS**  trans-92.7-1.8-179.8-67.2-12.6000113.5T118N116-T118 PolarHBondContact O-N 2.9Å; N116-T118 PolarHBondContact O-OG1 3.01Å
117S46.2Very low54Low79 Ų79112.4 Ų112.455%0.55264%0.638SS**  trans-72.787167.5-80.80000109.2N119S117-N119 PolarHBondContact O-N 3.42Å
118T48.8Very low53.5Low138 Ų138116 Ų11685%0.84765%0.653SS**THydrogen-bonded Turntrans-59.928.8156.9-37.90000111.9N116N116-T118 PolarHBondContact O-N 2.9Å; N116-T118 PolarHBondContact O-OG1 3.01Å
119N48Very low53.5Low118 Ų118117.8 Ų117.863%0.63167%0.665SS**THydrogen-bonded Turntrans-119.16.6-173.8-125.71.2000113.3S117 L121S117-N119 PolarHBondContact O-N 3.42Å; N119-L121 PolarHBondContact O-N 3.45Å
120C46.3Very low53.6Low113 Ų113118.7 Ų118.776%0.76467%0.667SS**THydrogen-bonded Turntrans-76.54.2172.860.90000114.2
121L48.3Very low53.7Low151 Ų151116.3 Ų116.379%0.79166%0.656SS**THydrogen-bonded Turntrans-117.14.6178-65.6177.5000114.1N119 V123N119-L121 PolarHBondContact O-N 3.45Å; L121-V123 VanDerWaalsContact C-N 3.26Å; L121-V123 PolarHBondContact O-N 3.14Å
122N45.1Very low53.9Low101 Ų101119.4 Ų119.454%0.5466%0.662SS.*  trans-83.971.9176.6-136.447.3000111.5E124N122-E124 PolarHBondContact ND2-OE2 3.38Å; N122-E124 PolarHBondContact O-N 3Å
123V49.1Very low54.5Low74 Ų74121.9 Ų121.945%0.44866%0.664SS.*  trans-76.767.4167.9-175.30000108.5L121 R126L121-V123 VanDerWaalsContact C-N 3.26Å; L121-V123 PolarHBondContact O-N 3.14Å; V123-R126 PolarHBondContact O-NE 2.97Å
124E48.6Very low55.2Low152 Ų152119.1 Ų119.171%0.7165%0.651SS**  trans-105.83.4173.3-78.9-172.6137.300113.5N122 R126N122-E124 PolarHBondContact ND2-OE2 3.38Å; N122-E124 PolarHBondContact O-N 3Å; E124-R126 PolarHBondContact O-N 3.4Å
125N44.5Very low55.9Low134 Ų134117.2 Ų117.272%0.71763%0.629SS**  trans-99.466.8161.8-116.5-43.6000110.4S127N125-S127 PolarHBondContact O-N 3.48Å
126R53.2Low56.6Low185 Ų185114.7 Ų114.770%0.69862%0.615SS**THydrogen-bonded Turntrans-67.6-13.5-171.9-77.3-84.9172.4-169.8-0.6114.9V123 E124V123-R126 PolarHBondContact O-NE 2.97Å; E124-R126 PolarHBondContact O-N 3.4Å
127S58.9Low56.8Low106 Ų106114.8 Ų114.874%0.74161%0.606SS**THydrogen-bonded Turntrans-97.7-28.7-170.8-52.90000114.6N125N125-S127 PolarHBondContact O-N 3.48Å
128D57.3Low57.5Low113 Ų113119.3 Ų119.360%0.60462%0.616SS**Hα-helixtrans-94.1-28.5-174.5-154.66.8000113S130 H131 Y132D128-S130 VanDerWaalsContact C-N 3.28Å; D128-S130 PolarHBondContact O-N 2.94Å; D128-H131 PolarHBondContact O-N 3.41Å; D128-Y132 PolarHBondContact O-N 3.44Å
129S62Low58Low76 Ų76120.5 Ų120.553%0.53161%0.612SS.*Hα-helixtrans-65.6-31.1177-163.60000112.7F133S129-F133 WeakPolarHBondContact O-CB 3.49Å; S129-F133 PolarHBondContact O-N 2.89Å
130S64.4Low58.1Low81 Ų81119.8 Ų119.857%0.56660%0.604SS**Hα-helixtrans-67.5-37.1175.4-175.50000111.9D128 A134D128-S130 VanDerWaalsContact C-N 3.28Å; D128-S130 PolarHBondContact O-N 2.94Å; S130-A134 VanDerWaalsContact O-CB 3.26Å; S130-A134 WeakPolarHBondContact O-CB 3.18Å; S130-A134 PolarHBondContact O-N 3.5Å
131H68.2Low58.5Low124 Ų124119.6 Ų119.657%0.57460%0.602SS**Hα-helixtrans-72.2-43.3176.7-173.3-108.2000111.4D128 F133 A134 V135D128-H131 PolarHBondContact O-N 3.41Å; H131-F133 VanDerWaalsContact C-N 3.34Å; H131-F133 PolarHBondContact O-N 3.22Å; H131-A134 PolarHBondContact O-N 2.98Å; H131-V135 WeakPolarHBondContact O-CB 3.48Å; H131-V135 VanDerWaalsContact O-CG2 3.27Å; H131-V135 WeakPolarHBondContact O-CG2 3.38Å; H131-V135 PolarHBondContact O-N 2.96Å
132Y68.9Low58.5Low164 Ų164117.8 Ų117.864%0.64360%0.597SS**Hα-helixtrans-60.1-43.2173.2-174.9-99.1000112D128 Y136D128-Y132 PolarHBondContact O-N 3.44Å; Y132-Y136 VanDerWaalsContact O-CB 3.26Å; Y132-Y136 WeakPolarHBondContact O-CB 3.47Å; Y132-Y136 PolarHBondContact O-N 3.31Å
133F69.4Low58.7Low123 Ų123117.8 Ų117.854%0.53961%0.605SS.*Hα-helixtrans-59.1-53.7172.6-169.2-88.1000109.9S129 H131 V135 Y136 Y137S129-F133 WeakPolarHBondContact O-CB 3.49Å; S129-F133 PolarHBondContact O-N 2.89Å; H131-F133 VanDerWaalsContact C-N 3.34Å; H131-F133 PolarHBondContact O-N 3.22Å; F133-V135 PolarHBondContact O-N 3.48Å; F133-Y136 PolarHBondContact O-N 2.97Å; F133-Y136 VanDerWaalsContact O-N 3.14Å; F133-Y137 AromaticContact CD1-CD2 3.43Å; F133-Y137 HydrophobicContact CD1-CD2 3.43Å; F133-Y137 VanDerWaalsContact CD1-CD2 3.43Å; F133-Y137 AromaticContact CD1-CE2 3.61Å; F133-Y137 HydrophobicContact CD1-CE2 3.61Å; F133-Y137 HydrophobicContact CD2-CD2 4.01Å; F133-Y137 AromaticContact CD2-CE2 3.33Å; F133-Y137 HydrophobicContact CD2-CE2 3.33Å; F133-Y137 AromaticContact CE1-CD2 3.36Å; F133-Y137 HydrophobicContact CE1-CD2 3.36Å; F133-Y137 AromaticContact CE1-CE2 3.38Å; F133-Y137 HydrophobicContact CE1-CE2 3.38Å; F133-Y137 HydrophobicContact CE1-CG 4.32Å; F133-Y137 AromaticContact CE2-CD2 3.96Å; F133-Y137 HydrophobicContact CE2-CD2 3.96Å; F133-Y137 AromaticContact CE2-CE2 3.08Å; F133-Y137 HydrophobicContact CE2-CE2 3.08Å; F133-Y137 AromaticContact CE2-CZ 3.63Å; F133-Y137 WeakPolarHBondContact CE2-OH 3.38Å; F133-Y137 AromaticContact CG-CD2 3.75Å; F133-Y137 HydrophobicContact CG-CD2 3.75Å; F133-Y137 AromaticContact CG-CE2 3.58Å; F133-Y137 HydrophobicContact CG-CE2 3.58Å; F133-Y137 AromaticContact CZ-CD2 3.63Å; F133-Y137 HydrophobicContact CZ-CD2 3.63Å; F133-Y137 AromaticContact CZ-CE2 3.1Å; F133-Y137 HydrophobicContact CZ-CE2 3.1Å; F133-Y137 AromaticContact CZ-CZ 3.57Å; F133-Y137 WeakPolarHBondContact O-CD2 3.44Å; F133-Y137 PolarHBondContact O-N 3.04Å
134A67.7Low58.9Low51 Ų51121.4 Ų121.442%0.42161%0.612SS.*Hα-helixtrans-56.3-45.7-179.400000112.9S130 H131 Y137 K138S130-A134 VanDerWaalsContact O-CB 3.26Å; S130-A134 WeakPolarHBondContact O-CB 3.18Å; S130-A134 PolarHBondContact O-N 3.5Å; H131-A134 PolarHBondContact O-N 2.98Å; A134-Y137 PolarHBondContact O-N 2.89Å; A134-K138 WeakPolarHBondContact O-CB 3.48Å; A134-K138 PolarHBondContact O-N 2.98Å
135V71Confident58.8Low57 Ų57121.6 Ų121.635%0.34561%0.606SS.*Hα-helixtrans-63.5-43.4177.7174.20000111.1H131 F133 Y137 K138 Q139H131-V135 WeakPolarHBondContact O-CB 3.48Å; H131-V135 VanDerWaalsContact O-CG2 3.27Å; H131-V135 WeakPolarHBondContact O-CG2 3.38Å; H131-V135 PolarHBondContact O-N 2.96Å; F133-V135 PolarHBondContact O-N 3.48Å; V135-Y137 VanDerWaalsContact C-N 3.35Å; V135-Y137 PolarHBondContact O-N 3.39Å; V135-K138 PolarHBondContact O-N 3.43Å; V135-Q139 PolarHBondContact O-N 3.05Å
136Y70.1Confident59Low135 Ų135121.3 Ų121.353%0.52961%0.605SS.*Hα-helixtrans-63.5-38.2179.1-166.2-94000112.6Y132 F133Y132-Y136 VanDerWaalsContact O-CB 3.26Å; Y132-Y136 WeakPolarHBondContact O-CB 3.47Å; Y132-Y136 PolarHBondContact O-N 3.31Å; F133-Y136 PolarHBondContact O-N 2.97Å; F133-Y136 VanDerWaalsContact O-N 3.14Å
137Y57.6Low59.1Low136 Ų136117.3 Ų117.353%0.53360%0.601SS.*Hα-helixtrans-81.8-18.3176.7-69.9-78.1000113.8F133 A134 V135F133-Y137 AromaticContact CD1-CD2 3.43Å; F133-Y137 HydrophobicContact CD1-CD2 3.43Å; F133-Y137 VanDerWaalsContact CD1-CD2 3.43Å; F133-Y137 AromaticContact CD1-CE2 3.61Å; F133-Y137 HydrophobicContact CD1-CE2 3.61Å; F133-Y137 HydrophobicContact CD2-CD2 4.01Å; F133-Y137 AromaticContact CD2-CE2 3.33Å; F133-Y137 HydrophobicContact CD2-CE2 3.33Å; F133-Y137 AromaticContact CE1-CD2 3.36Å; F133-Y137 HydrophobicContact CE1-CD2 3.36Å; F133-Y137 AromaticContact CE1-CE2 3.38Å; F133-Y137 HydrophobicContact CE1-CE2 3.38Å; F133-Y137 HydrophobicContact CE1-CG 4.32Å; F133-Y137 AromaticContact CE2-CD2 3.96Å; F133-Y137 HydrophobicContact CE2-CD2 3.96Å; F133-Y137 AromaticContact CE2-CE2 3.08Å; F133-Y137 HydrophobicContact CE2-CE2 3.08Å; F133-Y137 AromaticContact CE2-CZ 3.63Å; F133-Y137 WeakPolarHBondContact CE2-OH 3.38Å; F133-Y137 AromaticContact CG-CD2 3.75Å; F133-Y137 HydrophobicContact CG-CD2 3.75Å; F133-Y137 AromaticContact CG-CE2 3.58Å; F133-Y137 HydrophobicContact CG-CE2 3.58Å; F133-Y137 AromaticContact CZ-CD2 3.63Å; F133-Y137 HydrophobicContact CZ-CD2 3.63Å; F133-Y137 AromaticContact CZ-CE2 3.1Å; F133-Y137 HydrophobicContact CZ-CE2 3.1Å; F133-Y137 AromaticContact CZ-CZ 3.57Å; F133-Y137 WeakPolarHBondContact O-CD2 3.44Å; F133-Y137 PolarHBondContact O-N 3.04Å; A134-Y137 PolarHBondContact O-N 2.89Å; V135-Y137 VanDerWaalsContact C-N 3.35Å; V135-Y137 PolarHBondContact O-N 3.39Å
138K59.3Low58.9Low174 Ų174113.9 Ų113.976%0.75758%0.579SS**Hα-helixtrans-81.2-25.5178.8-137.7-179.3-177.4-170.40113.8A134 V135 Q140A134-K138 WeakPolarHBondContact O-CB 3.48Å; A134-K138 PolarHBondContact O-N 2.98Å; V135-K138 PolarHBondContact O-N 3.43Å; K138-Q140 VanDerWaalsContact C-N 3.34Å
139Q59.9Low58.2Low162 Ų162112.1 Ų112.176%0.75758%0.575SS**SBendtrans-82.5-6.4178.5-86.4169.33.300114.3V135V135-Q139 PolarHBondContact O-N 3.05Å
140Q51.4Low57.8Low103 Ų103112.7 Ų112.748%0.48158%0.575SS.*SBendtrans-73.9134.3169.2-67.9-81.7-13.700109K138 T142K138-Q140 VanDerWaalsContact C-N 3.34Å; Q140-T142 PolarHBondContact O-N 2.88Å
141P53.5Low57.3Low109 Ų109113 Ų11371%0.70857%0.57SS**  trans-53.4111.7175.418.5-28.5000109.7S143P141-S143 VanDerWaalsContact C-N 3.29Å; P141-S143 PolarHBondContact O-N 3.26Å
142T48.2Very low56.7Low114 Ų114111.4 Ų111.470%0.69957%0.566SS**SBendtrans-72.180-176.6540000109.4Q140Q140-T142 PolarHBondContact O-N 2.88Å
143S50.3Low56.1Low101 Ų101109.6 Ų109.671%0.70657%0.566SS**SBendtrans-145.817.5177.2940000116.3P141P141-S143 VanDerWaalsContact C-N 3.29Å; P141-S143 PolarHBondContact O-N 3.26Å
144Y52.2Low55.6Low149 Ų149109.5 Ų109.558%0.58457%0.567SS**SBendtrans-149-30.4179-152-102000116.4A148Y144-A148 VanDerWaalsContact O-CB 3.3Å; Y144-A148 WeakPolarHBondContact O-CB 3.5Å; Y144-A148 PolarHBondContact O-N 3.45Å
145W46.1Very low55.3Low157 Ų157109.6 Ų109.660%0.59557%0.565SS**Hα-helixtrans-83.2-34.7-172.7-57.1106.3000114.1T147 A148 C149W145-T147 PolarHBondContact O-N 3.44Å; W145-A148 PolarHBondContact O-N 3.46Å; W145-C149 WeakPolarHBondContact O-CB 3.31Å; W145-C149 PolarHBondContact O-N 3.42Å; W145-C149 PolarHBondContact O-SG 3.37Å
146N49.2Very low54.7Low128 Ų128112 Ų11268%0.68458%0.575SS**Hα-helixtrans-66.4-36.8-179.9-75.3-37.3000113
147T56.4Low54.8Low101 Ų101114.3 Ų114.362%0.6258%0.583SS**Hα-helixtrans-83.1-24.1178.3-33.10000112.7W145 T150W145-T147 PolarHBondContact O-N 3.44Å; T147-T150 PolarHBondContact O-OG1 2.85Å
148A53.3Low55.5Low34 Ų34112 Ų11228%0.28158%0.579SS.*Hα-helixtrans-80.1-30175.300000112.7Y144 W145 T150 L151 N152Y144-A148 VanDerWaalsContact O-CB 3.3Å; Y144-A148 WeakPolarHBondContact O-CB 3.5Å; Y144-A148 PolarHBondContact O-N 3.45Å; W145-A148 PolarHBondContact O-N 3.46Å; A148-T150 VanDerWaalsContact C-N 3.32Å; A148-T150 PolarHBondContact O-N 3.05Å; A148-L151 PolarHBondContact O-N 3.15Å; A148-N152 PolarHBondContact O-N 3.11Å
149C43.7Very low55.8Low76 Ų76111 Ų11151%0.51457%0.572SS.*Hα-helixtrans-66.2-32.1176.2-72.70000112.5W145 N152 L153W145-C149 WeakPolarHBondContact O-CB 3.31Å; W145-C149 PolarHBondContact O-N 3.42Å; W145-C149 PolarHBondContact O-SG 3.37Å; C149-N152 PolarHBondContact O-N 3.44Å; C149-L153 PolarHBondContact O-N 3.14Å
150T53.1Low56.2Low88 Ų88108.4 Ų108.454%0.5456%0.562SS.*Hα-helixtrans-72.6-34.5175.9560000112.6T147 A148 L153 H154T147-T150 PolarHBondContact O-OG1 2.85Å; A148-T150 VanDerWaalsContact C-N 3.32Å; A148-T150 PolarHBondContact O-N 3.05Å; T150-L153 PolarHBondContact O-N 3.36Å; T150-H154 PolarHBondContact O-N 2.84Å; T150-H154 VanDerWaalsContact O-N 3.11Å
151L53.5Low57.2Low88 Ų88109.4 Ų109.446%0.46157%0.567SS.*Hα-helixtrans-69.8-33.5172.3-75.9161.2000112.4L44 A148 H154 S155L44-L151 HydrophobicContact CD1-CD2 4.29Å; L44-L151 HydrophobicContact CD2-CD1 3.77Å; A148-L151 PolarHBondContact O-N 3.15Å; L151-H154 PolarHBondContact O-N 3.34Å; L151-S155 PolarHBondContact O-N 3.39Å
152N55.4Low58.2Low90 Ų90108.8 Ų108.848%0.48156%0.557SS.*Hα-helixtrans-73.4-32.8175.1-134.7-15.4000112A148 C149 H154 S155 L156A148-N152 PolarHBondContact O-N 3.11Å; C149-N152 PolarHBondContact O-N 3.44Å; N152-H154 VanDerWaalsContact C-N 3.34Å; N152-S155 PolarHBondContact O-N 3.06Å; N152-L156 PolarHBondContact O-N 3.29Å
153L57Low59.5Low125 Ų125107.9 Ų107.965%0.65455%0.547SS*.Hα-helixtrans-64.7-38.1170.2-128.776.3000111.7C149 T150 L156 R157C149-L153 PolarHBondContact O-N 3.14Å; T150-L153 PolarHBondContact O-N 3.36Å; L153-L156 PolarHBondContact O-N 2.96Å; L153-R157 VanDerWaalsContact O-CB 3.25Å; L153-R157 WeakPolarHBondContact O-CB 3.25Å; L153-R157 PolarHBondContact O-N 2.91Å
154H59.6Low60.8Low122 Ų122107.3 Ų107.357%0.56554%0.54SS*.Hα-helixtrans-66.3-39.7174.8-138113.2000111.3T150 L151 N152 R157 I158T150-H154 PolarHBondContact O-N 2.84Å; T150-H154 VanDerWaalsContact O-N 3.11Å; L151-H154 PolarHBondContact O-N 3.34Å; N152-H154 VanDerWaalsContact C-N 3.34Å; H154-R157 PolarHBondContact O-N 2.93Å; H154-I158 VanDerWaalsContact O-CG1 3.24Å; H154-I158 WeakPolarHBondContact O-CG1 3.24Å; H154-I158 PolarHBondContact O-N 3.02Å
155S61.3Low62.1Low52 Ų52105.9 Ų105.936%0.36454%0.542SS..Hα-helixtrans-64.5-40.7173.3-1650000112.2L151 N152 R157 I158 Y159L151-S155 PolarHBondContact O-N 3.39Å; N152-S155 PolarHBondContact O-N 3.06Å; S155-R157 VanDerWaalsContact C-N 3.34Å; S155-I158 PolarHBondContact O-N 3.39Å; S155-Y159 WeakPolarHBondContact O-CD2 3.28Å; S155-Y159 PolarHBondContact O-N 3.02Å
156L57.6Low63.7Low108 Ų108104.9 Ų104.957%0.56554%0.542SS*.Hα-helixtrans-68-35.6176.1-150.978.7000111.6N152 L153 Y159 L160N152-L156 PolarHBondContact O-N 3.29Å; L153-L156 PolarHBondContact O-N 2.96Å; L156-Y159 PolarHBondContact O-N 3.34Å; L156-L160 WeakPolarHBondContact O-CB 3.39Å; L156-L160 WeakPolarHBondContact O-CG 3.35Å; L156-L160 PolarHBondContact O-N 3.36Å
157R71.4Confident65.1Low183 Ų183102.6 Ų102.669%0.69153%0.533SS*.Hα-helixtrans-66.9-37.7175-159.6175.9-169.9145.81.8111.8L153 H154 S155 Q161L153-R157 VanDerWaalsContact O-CB 3.25Å; L153-R157 WeakPolarHBondContact O-CB 3.25Å; L153-R157 PolarHBondContact O-N 2.91Å; H154-R157 PolarHBondContact O-N 2.93Å; S155-R157 VanDerWaalsContact C-N 3.34Å; R157-Q161 WeakPolarHBondContact O-CB 3.39Å; R157-Q161 PolarHBondContact O-N 2.9Å
158I73Confident66.1Low89 Ų8999.7 Ų99.746%0.45652%0.519SS..Hα-helixtrans-65.6-44.7172.6-68.9164.8000110.7H154 S155 Q161 I162H154-I158 VanDerWaalsContact O-CG1 3.24Å; H154-I158 WeakPolarHBondContact O-CG1 3.24Å; H154-I158 PolarHBondContact O-N 3.02Å; S155-I158 PolarHBondContact O-N 3.39Å; I158-Q161 PolarHBondContact O-N 2.92Å; I158-I162 HydrophobicContact CG2-CD1 3.72Å; I158-I162 HydrophobicContact CG2-CG1 4.36Å; I158-I162 VanDerWaalsContact O-CG1 3.28Å; I158-I162 WeakPolarHBondContact O-CG1 3.5Å; I158-I162 PolarHBondContact O-N 3.25Å
159Y66.8Low67.3Low152 Ų152105 Ų10560%0.59653%0.533SS*.Hα-helixtrans-60.4-45.8175.9-95-83.4000112.1S155 L156 Q161 I162 D163S155-Y159 WeakPolarHBondContact O-CD2 3.28Å; S155-Y159 PolarHBondContact O-N 3.02Å; L156-Y159 PolarHBondContact O-N 3.34Å; Y159-Q161 VanDerWaalsContact C-N 3.33Å; Y159-Q161 PolarHBondContact O-N 2.94Å; Y159-I162 PolarHBondContact O-N 3.26Å; Y159-D163 PolarHBondContact O-N 3.42Å
160L66.8Low68.9Low107 Ų107105.1 Ų105.156%0.5653%0.531SS*.Hα-helixtrans-63.1-36.5175.9-74.3164.8000112.7L156 T164L156-L160 WeakPolarHBondContact O-CB 3.39Å; L156-L160 WeakPolarHBondContact O-CG 3.35Å; L156-L160 PolarHBondContact O-N 3.36Å; L160-T164 WeakPolarHBondContact O-CB 3.41Å; L160-T164 PolarHBondContact O-N 2.97Å; L160-T164 PolarHBondContact O-OG1 3.3Å
161Q72.4Confident69.8Low124 Ų124109.8 Ų109.858%0.57954%0.54SS*.Hα-helixtrans-67.8-41.5175.9-160.990.9-25.100111.4R157 I158 Y159 T164 L165R157-Q161 WeakPolarHBondContact O-CB 3.39Å; R157-Q161 PolarHBondContact O-N 2.9Å; I158-Q161 PolarHBondContact O-N 2.92Å; Y159-Q161 VanDerWaalsContact C-N 3.33Å; Y159-Q161 PolarHBondContact O-N 2.94Å; Q161-T164 PolarHBondContact O-N 3Å; Q161-L165 VanDerWaalsContact O-CG 3.31Å; Q161-L165 WeakPolarHBondContact O-CG 3.41Å; Q161-L165 PolarHBondContact O-N 2.7Å
162I75.9Confident70.8Confident96 Ų96110.6 Ų110.649%0.49254%0.544SS..Hα-helixtrans-65.4-45.6177.4-67.9167.2000110.7I158 Y159 T164 L165 F166I158-I162 HydrophobicContact CG2-CD1 3.72Å; I158-I162 HydrophobicContact CG2-CG1 4.36Å; I158-I162 VanDerWaalsContact O-CG1 3.28Å; I158-I162 WeakPolarHBondContact O-CG1 3.5Å; I158-I162 PolarHBondContact O-N 3.25Å; Y159-I162 PolarHBondContact O-N 3.26Å; I162-T164 VanDerWaalsContact C-N 3.31Å; I162-T164 PolarHBondContact O-N 2.86Å; I162-L165 PolarHBondContact O-N 2.87Å; I162-F166 WeakPolarHBondContact O-CB 3.31Å; I162-F166 PolarHBondContact O-N 2.93Å
163D74.6Confident71.4Confident95 Ų95112.6 Ų112.651%0.50855%0.549SS..Hα-helixtrans-60.4-42.7176.3-81.4-35.2000111Y159 L165 F166 T167Y159-D163 PolarHBondContact O-N 3.42Å; D163-L165 PolarHBondContact O-N 3.41Å; D163-F166 PolarHBondContact O-N 3.03Å; D163-T167 WeakPolarHBondContact O-CB 3.46Å; D163-T167 PolarHBondContact O-N 3.43Å; D163-T167 PolarHBondContact O-OG1 3.41Å
164T78.3Confident71.9Confident90 Ų90111.4 Ų111.455%0.55255%0.548SS*.Hα-helixtrans-62.2-43176.7-53.60000111.9L160 Q161 I162 A168L160-T164 WeakPolarHBondContact O-CB 3.41Å; L160-T164 PolarHBondContact O-N 2.97Å; L160-T164 PolarHBondContact O-OG1 3.3Å; Q161-T164 PolarHBondContact O-N 3Å; I162-T164 VanDerWaalsContact C-N 3.31Å; I162-T164 PolarHBondContact O-N 2.86Å; T164-A168 WeakPolarHBondContact O-CB 3.35Å; T164-A168 PolarHBondContact O-N 3.46Å
165L77.9Confident72.1Confident118 Ų118114.5 Ų114.562%0.61856%0.56SS**Hα-helixtrans-68.2-37.6177.1-70.3176.4000112.3Q161 I162 D163 A168 Y169Q161-L165 VanDerWaalsContact O-CG 3.31Å; Q161-L165 WeakPolarHBondContact O-CG 3.41Å; Q161-L165 PolarHBondContact O-N 2.7Å; I162-L165 PolarHBondContact O-N 2.87Å; D163-L165 PolarHBondContact O-N 3.41Å; L165-A168 PolarHBondContact O-N 2.89Å; L165-Y169 WeakPolarHBondContact O-CB 3.33Å; L165-Y169 PolarHBondContact O-N 3.26Å
166F79.7Confident71.9Confident136 Ų136121.8 Ų121.860%0.59659%0.593SS**Hα-helixtrans-67.7-43.9176.4-172.3-101000111.3I162 D163 Y169 V170I162-F166 WeakPolarHBondContact O-CB 3.31Å; I162-F166 PolarHBondContact O-N 2.93Å; D163-F166 PolarHBondContact O-N 3.03Å; F166-Y169 PolarHBondContact O-N 3.22Å; F166-V170 HydrophobicContact CD1-CG2 4.3Å; F166-V170 HydrophobicContact CE1-CG2 3.99Å; F166-V170 HydrophobicContact CZ-CG2 4.17Å; F166-V170 VanDerWaalsContact O-CG2 3.31Å; F166-V170 WeakPolarHBondContact O-CG2 3.35Å; F166-V170 PolarHBondContact O-N 3.47Å
167T78.7Confident72.6Confident81 Ų81122.5 Ų122.550%0.49759%0.594SS.*Hα-helixtrans-61.5-43.7173.5-56.90000111.6D163 V170 Y171D163-T167 WeakPolarHBondContact O-CB 3.46Å; D163-T167 PolarHBondContact O-N 3.43Å; D163-T167 PolarHBondContact O-OG1 3.41Å; T167-V170 PolarHBondContact O-N 3.47Å; T167-Y171 HydrophobicContact CG2-CD2 4.39Å; T167-Y171 PolarHBondContact O-N 3.06Å
168A79.1Confident72.6Confident39 Ų39119.3 Ų119.332%0.32259%0.589SS.*Hα-helixtrans-61.9-44.9175.900000111.9T164 L165 V170 Y171 L172T164-A168 WeakPolarHBondContact O-CB 3.35Å; T164-A168 PolarHBondContact O-N 3.46Å; L165-A168 PolarHBondContact O-N 2.89Å; A168-V170 PolarHBondContact O-N 2.98Å; A168-Y171 PolarHBondContact O-N 3.35Å; A168-L172 HydrophobicContact CB-CD1 4.43Å; A168-L172 WeakPolarHBondContact O-CB 3.31Å; A168-L172 WeakPolarHBondContact O-CD1 3.43Å; A168-L172 PolarHBondContact O-N 2.88Å
169Y77.5Confident72.6Confident146 Ų146120.9 Ų120.957%0.57360%0.597SS**Hα-helixtrans-61.2-43.7177.5179.3-98.6000112.3L165 F166 Y171 L172 K173L165-Y169 WeakPolarHBondContact O-CB 3.33Å; L165-Y169 PolarHBondContact O-N 3.26Å; F166-Y169 PolarHBondContact O-N 3.22Å; Y169-Y171 VanDerWaalsContact C-N 3.3Å; Y169-Y171 PolarHBondContact O-N 3Å; Y169-L172 PolarHBondContact O-N 3.37Å; Y169-K173 HydrophobicContact CE1-CD 4.39Å; Y169-K173 WeakPolarHBondContact O-CB 3.44Å; Y169-K173 PolarHBondContact O-N 3.16Å
170V77.6Confident72.9Confident79 Ų79119.1 Ų119.148%0.47960%0.597SS.*Hα-helixtrans-62.7-38.1176.6172.50000111.4F166 T167 A168F166-V170 HydrophobicContact CD1-CG2 4.3Å; F166-V170 HydrophobicContact CE1-CG2 3.99Å; F166-V170 HydrophobicContact CZ-CG2 4.17Å; F166-V170 VanDerWaalsContact O-CG2 3.31Å; F166-V170 WeakPolarHBondContact O-CG2 3.35Å; F166-V170 PolarHBondContact O-N 3.47Å; T167-V170 PolarHBondContact O-N 3.47Å; A168-V170 PolarHBondContact O-N 2.98Å
171Y72.7Confident73.3Confident186 Ų186119.9 Ų119.973%0.72960%0.599SS**Hα-helixtrans-77.4-26.3178.2-103.3-91000114.7T167 A168 Y169 P174T167-Y171 HydrophobicContact CG2-CD2 4.39Å; T167-Y171 PolarHBondContact O-N 3.06Å; A168-Y171 PolarHBondContact O-N 3.35Å; Y169-Y171 VanDerWaalsContact C-N 3.3Å; Y169-Y171 PolarHBondContact O-N 3Å; Y171-P174 VanDerWaalsContact O-CD 3.28Å; Y171-P174 WeakPolarHBondContact O-CD 3.28Å
172L72.8Confident73.4Confident105 Ų105119.6 Ų119.655%0.5560%0.6SS.*Hα-helixtrans-91.3-14.6179-81.8149.4000113.5A168 Y169 P174 F175A168-L172 HydrophobicContact CB-CD1 4.43Å; A168-L172 WeakPolarHBondContact O-CB 3.31Å; A168-L172 WeakPolarHBondContact O-CD1 3.43Å; A168-L172 PolarHBondContact O-N 2.88Å; Y169-L172 PolarHBondContact O-N 3.37Å; L172-P174 VanDerWaalsContact C-N 3.35Å; L172-F175 PolarHBondContact O-N 3.43Å; L172-F175 VanDerWaalsContact O-N 3.16Å
173K69.5Low73.2Confident132 Ų132121.3 Ų121.357%0.57461%0.608SS**G310 helixtrans-56.6-30.6176.4-163.6170.9-172.1-178.50116Y169 F175Y169-K173 HydrophobicContact CE1-CD 4.39Å; Y169-K173 WeakPolarHBondContact O-CB 3.44Å; Y169-K173 PolarHBondContact O-N 3.16Å; K173-F175 VanDerWaalsContact C-N 3.33Å
174P66Low73.1Confident99 Ų99123.3 Ų123.364%0.64362%0.616SS**G310 helixtrans-86.45.4177.331.4-29.9000114.6Y171 L172Y171-P174 VanDerWaalsContact O-CD 3.28Å; Y171-P174 WeakPolarHBondContact O-CD 3.28Å; L172-P174 VanDerWaalsContact C-N 3.35Å
175F65.2Low72.7Confident188 Ų188126.1 Ų126.183%0.82562%0.621SS**G310 helixtrans-116.78.1179-92.6-89.2000114L172 K173L172-F175 PolarHBondContact O-N 3.43Å; L172-F175 VanDerWaalsContact O-N 3.16Å; K173-F175 VanDerWaalsContact C-N 3.33Å
176I55.7Low72.2Confident204 Ų204126.8 Ų126.8100%1.04662%0.621SS**  trans-1210170.8-58.3173.8000107.6

Retrieved 176 of 176 residues in 218.1 ms (Link to these results)