A0A096MWN6_PAPAN Loading...

Ubiquitin-protein ligase E3B

E3 ubiquitin-protein ligase which accepts ubiquitin from an E2 ubiquitin-conjugating enzyme in the form of a thioester and then directly transfers the ubiquitin to targeted substrates. Ubiquitinates BCKDK and targets it for degradation, thereby regulating various metabolic processes. Involved in the positive regulation of neurite branching in hippocampal neurons and the control of neuronal spine number and morphology, through the ubiquitination of PPP3CC.

AlphaFold DB , UniProt , Accession A0A096MWN6, Species PAPAN (Papio anubis, Olive baboon), Gene UBE3B, Length 1,068 aa.

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

 

Download Structure   PDB   PAE   Table  
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
1M42.6Very low54.9Low242 Ų242142.8 Ų142.8100%1.19273%0.734SS**  086.60-79.3178.6-178.600108.1
2F45.1Very low56.5Low200 Ų200143.1 Ų143.188%0.87773%0.726SS**  trans-115.7152.2179.8-84.7-80.8000109.6
3T47.8Very low58.1Low128 Ų128139.8 Ų139.879%0.78571%0.71SS**  trans70.779.616362.60000119.6
4L47.3Very low59.3Low153 Ų153135.9 Ų135.980%0.80169%0.692SS**  trans-131.93.8158.8-92.3165.4000114.3
5S52.2Low60.5Low96 Ų96136.8 Ų136.867%0.67168%0.683SS**Hα-helixtrans-95.1-11.8-173.264.20000115.6
6Q51.7Low61.5Low168 Ų168130.5 Ų130.579%0.78566%0.659SS**Hα-helixtrans-86.4-27.4179.4-80.5-174.3-15.400113.6A10Q6-A10 WeakPolarHBondContact O-CB 3.49Å; Q6-A10 PolarHBondContact O-N 3.3Å
7T54.9Low62.6Low97 Ų97131.5 Ų131.560%0.59565%0.653SS**Hα-helixtrans-75.2-36-178.437.50000113.4W11T7-W11 WeakPolarHBondContact O-CB 3.33Å; T7-W11 PolarHBondContact O-N 3.21Å
8S59.7Low63.4Low80 Ų80130.1 Ų130.156%0.55964%0.644SS**Hα-helixtrans-72.8-35.5-17982.60000112.9F12S8-F12 VanDerWaalsContact O-CB 3.23Å; S8-F12 WeakPolarHBondContact O-CB 3.25Å; S8-F12 PolarHBondContact O-N 2.75Å
9R65.4Low64.4Low189 Ų189124.7 Ų124.771%0.71362%0.622SS**Hα-helixtrans-72.6-42.3178-166.8175.9179.7164-0.2111.6F12 I13R9-F12 PolarHBondContact O-N 2.91Å; R9-I13 HydrophobicContact CG-CD1 3.96Å; R9-I13 WeakPolarHBondContact O-CB 3.33Å; R9-I13 WeakPolarHBondContact O-CD1 3.45Å; R9-I13 WeakPolarHBondContact O-CG1 3.47Å; R9-I13 PolarHBondContact O-N 2.92Å
10A64.8Low65.2Low60 Ų60127.4 Ų127.450%0.49663%0.625SS.*Hα-helixtrans-64-45.8175.400000111.6Q6 F12 I13 D14Q6-A10 WeakPolarHBondContact O-CB 3.49Å; Q6-A10 PolarHBondContact O-N 3.3Å; A10-F12 PolarHBondContact O-N 3.19Å; A10-I13 PolarHBondContact O-N 3.46Å; A10-D14 WeakPolarHBondContact O-CB 3.42Å; A10-D14 PolarHBondContact O-N 3.31Å
11W72.3Confident65.9Low158 Ų158125.6 Ų125.660%0.59862%0.615SS**Hα-helixtrans-62.9-39.6176.4-178.887.3000112.9T7 D14 R15T7-W11 WeakPolarHBondContact O-CB 3.33Å; T7-W11 PolarHBondContact O-N 3.21Å; W11-D14 PolarHBondContact O-N 2.74Å; W11-R15 VanDerWaalsContact O-CB 3.25Å; W11-R15 WeakPolarHBondContact O-CB 3.42Å; W11-R15 PolarHBondContact O-N 3.16Å
12F74.7Confident67.8Low146 Ų146120.7 Ų120.764%0.6459%0.589SS**Hα-helixtrans-68-41176.2-171.8-91.7000112.2S8 R9 A10 A16S8-F12 VanDerWaalsContact O-CB 3.23Å; S8-F12 WeakPolarHBondContact O-CB 3.25Å; S8-F12 PolarHBondContact O-N 2.75Å; R9-F12 PolarHBondContact O-N 2.91Å; A10-F12 PolarHBondContact O-N 3.19Å; F12-A16 WeakPolarHBondContact O-CB 3.48Å; F12-A16 PolarHBondContact O-N 2.89Å
13I76.8Confident69.6Low100 Ų100119.8 Ų119.851%0.51358%0.58SS.*Hα-helixtrans-64.6-41.6175.5-70.3168.2000110.5R9 A10 A16 R17R9-I13 HydrophobicContact CG-CD1 3.96Å; R9-I13 WeakPolarHBondContact O-CB 3.33Å; R9-I13 WeakPolarHBondContact O-CD1 3.45Å; R9-I13 WeakPolarHBondContact O-CG1 3.47Å; R9-I13 PolarHBondContact O-N 2.92Å; A10-I13 PolarHBondContact O-N 3.46Å; I13-A16 PolarHBondContact O-N 3.22Å; I13-R17 VanDerWaalsContact O-CB 3.31Å; I13-R17 WeakPolarHBondContact O-CB 3.48Å; I13-R17 PolarHBondContact O-N 2.87Å
14D74.6Confident71.3Confident85 Ų85118.4 Ų118.446%0.45557%0.568SS.*Hα-helixtrans-71.4-38.9-179.2-153.840.3000111.9A10 W11 A16 R17 Q18A10-D14 WeakPolarHBondContact O-CB 3.42Å; A10-D14 PolarHBondContact O-N 3.31Å; W11-D14 PolarHBondContact O-N 2.74Å; D14-A16 PolarHBondContact O-N 3.49Å; D14-R17 CarbonylContact O-C 3.36Å; D14-R17 WeakPolarHBondContact O-CB 3.48Å; D14-R17 PolarHBondContact O-N 3.26Å; D14-Q18 WeakPolarHBondContact O-CB 3.22Å; D14-Q18 PolarHBondContact O-N 3.5Å
15R77.3Confident73.1Confident150 Ų150114.4 Ų114.457%0.56655%0.549SS*.Hα-helixtrans-65.7-37.3171.6-167175.2179.2178.3-0.1112.2W11 R17 A19W11-R15 VanDerWaalsContact O-CB 3.25Å; W11-R15 WeakPolarHBondContact O-CB 3.42Å; W11-R15 PolarHBondContact O-N 3.16Å; R15-R17 VanDerWaalsContact C-N 3.35Å; R15-A19 VanDerWaalsContact O-CB 3.26Å; R15-A19 WeakPolarHBondContact O-CB 3.08Å; R15-A19 PolarHBondContact O-N 3.42Å
16A77.6Confident74.7Confident36 Ų36114.1 Ų114.130%0.29854%0.537SS..Hα-helixtrans-70-32.3173.200000112.1F12 I13 D14 R20F12-A16 WeakPolarHBondContact O-CB 3.48Å; F12-A16 PolarHBondContact O-N 2.89Å; I13-A16 PolarHBondContact O-N 3.22Å; D14-A16 PolarHBondContact O-N 3.49Å; A16-R20 WeakPolarHBondContact O-CB 3.47Å; A16-R20 VanDerWaalsContact O-CG 3.22Å; A16-R20 WeakPolarHBondContact O-CG 3.2Å; A16-R20 PolarHBondContact O-N 3.42Å
17R79.1Confident76.4Confident147 Ų147111.9 Ų111.956%0.55553%0.525SS*.Hα-helixtrans-69.6-49.3173.2-177-175.3173.61731.7111.2I13 D14 R15 A19 R20 E21I13-R17 VanDerWaalsContact O-CB 3.31Å; I13-R17 WeakPolarHBondContact O-CB 3.48Å; I13-R17 PolarHBondContact O-N 2.87Å; D14-R17 CarbonylContact O-C 3.36Å; D14-R17 WeakPolarHBondContact O-CB 3.48Å; D14-R17 PolarHBondContact O-N 3.26Å; R15-R17 VanDerWaalsContact C-N 3.35Å; R17-A19 VanDerWaalsContact C-N 3.35Å; R17-A19 PolarHBondContact O-N 3.36Å; R17-R20 CarbonylContact O-C 3.6Å; R17-R20 WeakPolarHBondContact O-CA 3.38Å; R17-R20 WeakPolarHBondContact O-CB 3.4Å; R17-R20 PolarHBondContact O-N 2.9Å; R17-E21 IonicContact CZ-OE1 3.63Å; R17-E21 IonicContact NE-OE1 2.69Å; R17-E21 PolarHBondContact NE-OE1 2.88Å; R17-E21 IonicContact NH2-OE1 2.68Å; R17-E21 PolarHBondContact O-N 3.03Å
18Q78.5Confident78Confident107 Ų107112.5 Ų112.550%0.552%0.521SS..Hα-helixtrans-57-46.7173.2-83.4-178.9-16.600111.3D14 R20 E21 E22D14-Q18 WeakPolarHBondContact O-CB 3.22Å; D14-Q18 PolarHBondContact O-N 3.5Å; Q18-R20 VanDerWaalsContact C-N 3.27Å; Q18-R20 PolarHBondContact O-N 3.16Å; Q18-E21 PolarHBondContact O-N 3.3Å; Q18-E22 WeakPolarHBondContact O-CB 3.44Å; Q18-E22 WeakPolarHBondContact O-CG 3.43Å; Q18-E22 PolarHBondContact O-N 2.94Å
19A81Confident79.3Confident27 Ų27116.7 Ų116.722%0.22352%0.524CS..Hα-helixtrans-64.2-29.8175.900000113R15 R17 R23R15-A19 VanDerWaalsContact O-CB 3.26Å; R15-A19 WeakPolarHBondContact O-CB 3.08Å; R15-A19 PolarHBondContact O-N 3.42Å; R17-A19 VanDerWaalsContact C-N 3.35Å; R17-A19 PolarHBondContact O-N 3.36Å; A19-R23 WeakPolarHBondContact O-CB 3.24Å; A19-R23 WeakPolarHBondContact O-CD 3.27Å; A19-R23 WeakPolarHBondContact O-CG 3.36Å; A19-R23 PolarHBondContact O-N 3.13Å; A19-R23 VanDerWaalsContact O-N 3.17Å
20R80Confident80.5Confident178 Ų178113 Ų11367%0.67252%0.515SS*.Hα-helixtrans-72.7-43.7172.4-80.4172.5-174.6-178.32.5111.4A16 R17 Q18 R23 L24A16-R20 WeakPolarHBondContact O-CB 3.47Å; A16-R20 VanDerWaalsContact O-CG 3.22Å; A16-R20 WeakPolarHBondContact O-CG 3.2Å; A16-R20 PolarHBondContact O-N 3.42Å; R17-R20 CarbonylContact O-C 3.6Å; R17-R20 WeakPolarHBondContact O-CA 3.38Å; R17-R20 WeakPolarHBondContact O-CB 3.4Å; R17-R20 PolarHBondContact O-N 2.9Å; Q18-R20 VanDerWaalsContact C-N 3.27Å; Q18-R20 PolarHBondContact O-N 3.16Å; R20-R23 PolarHBondContact O-N 3.49Å; R20-L24 WeakPolarHBondContact O-CB 3.38Å; R20-L24 PolarHBondContact O-N 3.08Å
21E80.9Confident81.7Confident91 Ų91117.8 Ų117.843%0.42552%0.521SS..Hα-helixtrans-63.5-43.8176.4-76.4173.9-171.800110.8R17 Q18 R23 L24 V25R17-E21 IonicContact CZ-OE1 3.63Å; R17-E21 IonicContact NE-OE1 2.69Å; R17-E21 PolarHBondContact NE-OE1 2.88Å; R17-E21 IonicContact NH2-OE1 2.68Å; R17-E21 PolarHBondContact O-N 3.03Å; Q18-E21 PolarHBondContact O-N 3.3Å; E21-R23 PolarHBondContact O-N 3.21Å; E21-L24 CarbonylContact O-C 3.31Å; E21-L24 WeakPolarHBondContact O-CA 3.43Å; E21-L24 WeakPolarHBondContact O-CB 3.46Å; E21-L24 PolarHBondContact O-N 3.28Å; E21-L24 VanDerWaalsContact O-N 3.09Å; E21-V25 WeakPolarHBondContact O-CB 3.48Å; E21-V25 VanDerWaalsContact O-CG2 3.31Å; E21-V25 WeakPolarHBondContact O-CG2 3.41Å; E21-V25 PolarHBondContact O-N 3.27Å
22E82.4Confident82.4Confident139 Ų139112.6 Ų112.665%0.6551%0.511SS*.Hα-helixtrans-59.4-43.1172.9-76.5178.6169.500112.2Q18 L24 V25 Q26Q18-E22 WeakPolarHBondContact O-CB 3.44Å; Q18-E22 WeakPolarHBondContact O-CG 3.43Å; Q18-E22 PolarHBondContact O-N 2.94Å; E22-L24 VanDerWaalsContact C-N 3.32Å; E22-L24 PolarHBondContact O-N 3.2Å; E22-V25 PolarHBondContact O-N 3.47Å; E22-Q26 VanDerWaalsContact O-CB 3.28Å; E22-Q26 WeakPolarHBondContact O-CB 3.34Å; E22-Q26 PolarHBondContact O-N 3.28Å
23R83.8Confident83.2Confident180 Ų180107.6 Ų107.668%0.67950%0.497SS*.Hα-helixtrans-66.3-34.7173.9-73.1173.4-154.7171.25.8112.3A19 R20 E21 K27A19-R23 WeakPolarHBondContact O-CB 3.24Å; A19-R23 WeakPolarHBondContact O-CD 3.27Å; A19-R23 WeakPolarHBondContact O-CG 3.36Å; A19-R23 PolarHBondContact O-N 3.13Å; A19-R23 VanDerWaalsContact O-N 3.17Å; R20-R23 PolarHBondContact O-N 3.49Å; E21-R23 PolarHBondContact O-N 3.21Å; R23-K27 VanDerWaalsContact O-CB 3.24Å; R23-K27 WeakPolarHBondContact O-CB 3.38Å; R23-K27 PolarHBondContact O-N 2.74Å
24L82.9Confident83.9Confident100 Ų100107.2 Ų107.252%0.52450%0.499SS..Hα-helixtrans-66.8-48.3176.7-130.9151.9000110.2R20 E21 E22 Q26 K27 E28R20-L24 WeakPolarHBondContact O-CB 3.38Å; R20-L24 PolarHBondContact O-N 3.08Å; E21-L24 CarbonylContact O-C 3.31Å; E21-L24 WeakPolarHBondContact O-CA 3.43Å; E21-L24 WeakPolarHBondContact O-CB 3.46Å; E21-L24 PolarHBondContact O-N 3.28Å; E21-L24 VanDerWaalsContact O-N 3.09Å; E22-L24 VanDerWaalsContact C-N 3.32Å; E22-L24 PolarHBondContact O-N 3.2Å; L24-Q26 VanDerWaalsContact C-N 3.34Å; L24-Q26 PolarHBondContact O-N 3.27Å; L24-K27 PolarHBondContact O-N 2.84Å; L24-E28 WeakPolarHBondContact O-CG 3.45Å; L24-E28 PolarHBondContact O-N 3.06Å
25V84.6Confident84.8Confident68 Ų68106.9 Ų106.941%0.41250%0.5SS..Hα-helixtrans-60.7-41.8174.6171.50000111.1E21 E22 E28 R29E21-V25 WeakPolarHBondContact O-CB 3.48Å; E21-V25 VanDerWaalsContact O-CG2 3.31Å; E21-V25 WeakPolarHBondContact O-CG2 3.41Å; E21-V25 PolarHBondContact O-N 3.27Å; E22-V25 PolarHBondContact O-N 3.47Å; V25-E28 PolarHBondContact O-N 3.18Å; V25-R29 WeakPolarHBondContact O-CB 3.45Å; V25-R29 WeakPolarHBondContact O-CG 3.31Å; V25-R29 PolarHBondContact O-N 3.24Å
26Q86.8Confident85.5Confident91 Ų91104.8 Ų104.843%0.42550%0.499SS..Hα-helixtrans-65.6-41.8176.6-174.460.320.600111.7E22 L24 E28 R29 E30E22-Q26 VanDerWaalsContact O-CB 3.28Å; E22-Q26 WeakPolarHBondContact O-CB 3.34Å; E22-Q26 PolarHBondContact O-N 3.28Å; L24-Q26 VanDerWaalsContact C-N 3.34Å; L24-Q26 PolarHBondContact O-N 3.27Å; Q26-E28 VanDerWaalsContact C-N 3.33Å; Q26-E28 PolarHBondContact O-N 3.23Å; Q26-R29 WeakPolarHBondContact O-CB 3.43Å; Q26-R29 PolarHBondContact O-N 3.34Å; Q26-E30 PolarHBondContact NE2-OE1 3.01Å; Q26-E30 WeakPolarHBondContact O-CG 3.47Å; Q26-E30 PolarHBondContact O-N 3.26Å
27K86.5Confident86.2Confident120 Ų120107.9 Ų107.952%0.52251%0.507SS..Hα-helixtrans-65.8-35.2175.5-168.2175.6-174.9175.60112.1R23 L24 R31R23-K27 VanDerWaalsContact O-CB 3.24Å; R23-K27 WeakPolarHBondContact O-CB 3.38Å; R23-K27 PolarHBondContact O-N 2.74Å; L24-K27 PolarHBondContact O-N 2.84Å; K27-R31 WeakPolarHBondContact O-CB 3.45Å; K27-R31 VanDerWaalsContact O-CG 3.3Å; K27-R31 WeakPolarHBondContact O-CG 3.23Å; K27-R31 PolarHBondContact O-N 3.22Å
28E87.3Confident86.9Confident111 Ų111103.4 Ų103.452%0.51950%0.502SS..Hα-helixtrans-68.1-42.3172.3-76.9-179171.400111.9L24 V25 Q26 E30 R31 A32L24-E28 WeakPolarHBondContact O-CG 3.45Å; L24-E28 PolarHBondContact O-N 3.06Å; V25-E28 PolarHBondContact O-N 3.18Å; Q26-E28 VanDerWaalsContact C-N 3.33Å; Q26-E28 PolarHBondContact O-N 3.23Å; E28-E30 PolarHBondContact O-N 2.75Å; E28-R31 PolarHBondContact O-N 3.34Å; E28-A32 WeakPolarHBondContact O-CB 3.42Å; E28-A32 PolarHBondContact O-N 3.29Å
29R87.2Confident87.5Confident167 Ų167104.3 Ų104.363%0.6351%0.506SS*.Hα-helixtrans-60.1-43.8173.1-78.2178.5175.2179.4-1112V25 Q26 A32 A33V25-R29 WeakPolarHBondContact O-CB 3.45Å; V25-R29 WeakPolarHBondContact O-CG 3.31Å; V25-R29 PolarHBondContact O-N 3.24Å; Q26-R29 WeakPolarHBondContact O-CB 3.43Å; Q26-R29 PolarHBondContact O-N 3.34Å; R29-A32 PolarHBondContact O-N 3.25Å; R29-A33 WeakPolarHBondContact O-CB 3.44Å; R29-A33 PolarHBondContact O-N 3.37Å
30E90.6Very high88.1Confident111 Ų111106.5 Ų106.552%0.51952%0.516SS..Hα-helixtrans-64.6-44176.2-76.8172.8-17100111.8Q26 E28 A32 A33 V34Q26-E30 PolarHBondContact NE2-OE1 3.01Å; Q26-E30 WeakPolarHBondContact O-CG 3.47Å; Q26-E30 PolarHBondContact O-N 3.26Å; E28-E30 PolarHBondContact O-N 2.75Å; E30-A32 PolarHBondContact O-N 3.35Å; E30-A33 PolarHBondContact O-N 2.92Å; E30-V34 WeakPolarHBondContact O-CG2 3.42Å; E30-V34 PolarHBondContact O-N 3.47Å
31R90.6Very high88.7Confident161 Ų161106.4 Ų106.461%0.60852%0.516SS*.Hα-helixtrans-60.1-46.3173.9-78.8176.3175.3-176-2.7111.8K27 E28 A33 V34 V35K27-R31 WeakPolarHBondContact O-CB 3.45Å; K27-R31 VanDerWaalsContact O-CG 3.3Å; K27-R31 WeakPolarHBondContact O-CG 3.23Å; K27-R31 PolarHBondContact O-N 3.22Å; E28-R31 PolarHBondContact O-N 3.34Å; R31-A33 VanDerWaalsContact C-N 3.33Å; R31-A33 PolarHBondContact O-N 3.43Å; R31-V34 PolarHBondContact O-N 3.01Å; R31-V35 WeakPolarHBondContact O-CG2 3.44Å; R31-V35 PolarHBondContact O-N 2.88Å
32A88Confident89.2Confident49 Ų49104.4 Ų104.441%0.40551%0.512SS..Hα-helixtrans-60.4-43.4176.400000111.2E28 R29 E30 V34 V35 I36E28-A32 WeakPolarHBondContact O-CB 3.42Å; E28-A32 PolarHBondContact O-N 3.29Å; R29-A32 PolarHBondContact O-N 3.25Å; E30-A32 PolarHBondContact O-N 3.35Å; A32-V34 PolarHBondContact O-N 3.47Å; A32-V35 PolarHBondContact O-N 3.28Å; A32-I36 WeakPolarHBondContact O-CB 3.31Å; A32-I36 VanDerWaalsContact O-CG1 3.23Å; A32-I36 WeakPolarHBondContact O-CG1 3.28Å; A32-I36 PolarHBondContact O-N 3.08Å
33A91.5Very high89.6Confident41 Ų41103.3 Ų103.334%0.33951%0.506SS..Hα-helixtrans-60.4-43176.200000112.2R29 E30 R31 I36 Q37R29-A33 WeakPolarHBondContact O-CB 3.44Å; R29-A33 PolarHBondContact O-N 3.37Å; E30-A33 PolarHBondContact O-N 2.92Å; R31-A33 VanDerWaalsContact C-N 3.33Å; R31-A33 PolarHBondContact O-N 3.43Å; A33-I36 PolarHBondContact O-N 3.34Å; A33-Q37 VanDerWaalsContact O-CB 3.32Å; A33-Q37 WeakPolarHBondContact O-CB 3.43Å; A33-Q37 WeakPolarHBondContact O-CG 3.39Å; A33-Q37 PolarHBondContact O-N 2.6Å
34V91.5Very high90Very high92 Ų9299.6 Ų99.656%0.55850%0.498SS*.Hα-helixtrans-62.7-43.8176.3171.30000111.4E30 R31 A32 Q37 A38E30-V34 WeakPolarHBondContact O-CG2 3.42Å; E30-V34 PolarHBondContact O-N 3.47Å; R31-V34 PolarHBondContact O-N 3.01Å; A32-V34 PolarHBondContact O-N 3.47Å; V34-Q37 PolarHBondContact O-N 3.02Å; V34-A38 WeakPolarHBondContact O-CB 3.45Å; V34-A38 PolarHBondContact O-N 2.73Å
35V92.4Very high90.4Very high79 Ų7998.9 Ų98.948%0.47950%0.501SS..Hα-helixtrans-64.6-45.3178173.30000111.2R31 A32 Q37 A38 H39R31-V35 WeakPolarHBondContact O-CG2 3.44Å; R31-V35 PolarHBondContact O-N 2.88Å; A32-V35 PolarHBondContact O-N 3.28Å; V35-Q37 PolarHBondContact O-N 3.47Å; V35-A38 PolarHBondContact O-N 3.49Å; V35-H39 PolarHBondContact O-CD2 2.95Å; V35-H39 PolarHBondContact O-N 3.49Å
36I92.5Very high90.6Very high105 Ų105101.8 Ų101.854%0.53850%0.504SS..Hα-helixtrans-60.2-48.1176-68.5165.7000110.1A32 A33 A38 H39 V40A32-I36 WeakPolarHBondContact O-CB 3.31Å; A32-I36 VanDerWaalsContact O-CG1 3.23Å; A32-I36 WeakPolarHBondContact O-CG1 3.28Å; A32-I36 PolarHBondContact O-N 3.08Å; A33-I36 PolarHBondContact O-N 3.34Å; I36-A38 VanDerWaalsContact C-N 3.34Å; I36-A38 PolarHBondContact O-N 3.37Å; I36-H39 PolarHBondContact O-N 2.72Å; I36-V40 HydrophobicContact CG2-CG2 4.29Å; I36-V40 VanDerWaalsContact O-CG2 3.3Å; I36-V40 WeakPolarHBondContact O-CG2 3.46Å; I36-V40 PolarHBondContact O-N 3.45Å
37Q92.4Very high90.6Very high101 Ų10198.7 Ų98.747%0.47249%0.493SS..Hα-helixtrans-60.9-41178.3-75.1175.4-0.400112.2A33 V34 V35 V40 R41A33-Q37 VanDerWaalsContact O-CB 3.32Å; A33-Q37 WeakPolarHBondContact O-CB 3.43Å; A33-Q37 WeakPolarHBondContact O-CG 3.39Å; A33-Q37 PolarHBondContact O-N 2.6Å; V34-Q37 PolarHBondContact O-N 3.02Å; V35-Q37 PolarHBondContact O-N 3.47Å; Q37-V40 PolarHBondContact O-N 3.2Å; Q37-R41 WeakPolarHBondContact O-CB 3.16Å; Q37-R41 VanDerWaalsContact O-CG 3.25Å; Q37-R41 WeakPolarHBondContact O-CG 3.42Å; Q37-R41 PolarHBondContact O-N 2.85Å
38A92.8Very high90.9Very high54 Ų54100.7 Ų100.745%0.44650%0.497SS..Hα-helixtrans-63-44.5175.600000111.6V34 V35 I36 R41 S42V34-A38 WeakPolarHBondContact O-CB 3.45Å; V34-A38 PolarHBondContact O-N 2.73Å; V35-A38 PolarHBondContact O-N 3.49Å; I36-A38 VanDerWaalsContact C-N 3.34Å; I36-A38 PolarHBondContact O-N 3.37Å; A38-R41 PolarHBondContact O-N 3.2Å; A38-S42 VanDerWaalsContact O-CB 3.28Å; A38-S42 WeakPolarHBondContact O-CB 3.44Å; A38-S42 PolarHBondContact O-N 2.93Å
39H91.8Very high91Very high126 Ų12699.7 Ų99.758%0.58350%0.495SS*.Hα-helixtrans-63.5-41.7175.4-76.9-41000112.6V35 I36 S42 F43V35-H39 PolarHBondContact O-CD2 2.95Å; V35-H39 PolarHBondContact O-N 3.49Å; I36-H39 PolarHBondContact O-N 2.72Å; H39-S42 PolarHBondContact O-N 3.19Å; H39-F43 WeakPolarHBondContact O-CB 3.5Å; H39-F43 PolarHBondContact O-N 2.81Å
40V92.8Very high91.2Very high73 Ų7393.9 Ų93.944%0.44248%0.475SS..Hα-helixtrans-64.9-46.4176.5172.30000111.1I36 Q37 S42 F43 L44I36-V40 HydrophobicContact CG2-CG2 4.29Å; I36-V40 VanDerWaalsContact O-CG2 3.3Å; I36-V40 WeakPolarHBondContact O-CG2 3.46Å; I36-V40 PolarHBondContact O-N 3.45Å; Q37-V40 PolarHBondContact O-N 3.2Å; V40-S42 VanDerWaalsContact C-N 3.31Å; V40-S42 PolarHBondContact O-N 2.94Å; V40-F43 PolarHBondContact O-N 3.44Å; V40-L44 HydrophobicContact CG1-CD1 3.96Å; V40-L44 HydrophobicContact CG1-CG 4.32Å; V40-L44 WeakPolarHBondContact O-CB 3.43Å; V40-L44 WeakPolarHBondContact O-CG 3.15Å; V40-L44 PolarHBondContact O-N 2.86Å
41R93Very high91.1Very high175 Ų17594.9 Ų94.966%0.6647%0.474SS*.Hα-helixtrans-59-43.7175.6-73.4173.5-174.1175.44.4111.4Q37 A38 L44 C45Q37-R41 WeakPolarHBondContact O-CB 3.16Å; Q37-R41 VanDerWaalsContact O-CG 3.25Å; Q37-R41 WeakPolarHBondContact O-CG 3.42Å; Q37-R41 PolarHBondContact O-N 2.85Å; A38-R41 PolarHBondContact O-N 3.2Å; R41-L44 PolarHBondContact O-N 3.34Å; R41-C45 VanDerWaalsContact O-CB 3.32Å; R41-C45 WeakPolarHBondContact O-CB 3.48Å; R41-C45 PolarHBondContact O-N 3.35Å
42S92.3Very high91.2Very high49 Ų4990.1 Ų90.134%0.34346%0.461SS..Hα-helixtrans-62.8-44.5176.4-170.80000111.8A38 H39 V40 C45 R46A38-S42 VanDerWaalsContact O-CB 3.28Å; A38-S42 WeakPolarHBondContact O-CB 3.44Å; A38-S42 PolarHBondContact O-N 2.93Å; H39-S42 PolarHBondContact O-N 3.19Å; V40-S42 VanDerWaalsContact C-N 3.31Å; V40-S42 PolarHBondContact O-N 2.94Å; S42-C45 PolarHBondContact O-N 3.46Å; S42-R46 WeakPolarHBondContact O-CG 3.42Å; S42-R46 PolarHBondContact O-N 3.37Å; S42-R46 PolarHBondContact OG-NH1 3.24Å
43F90.7Very high91.3Very high117 Ų11788.7 Ų88.751%0.51345%0.446SS..Hα-helixtrans-62.3-45.4175.9174.3-97.2000112.4H39 V40 R46 S47H39-F43 WeakPolarHBondContact O-CB 3.5Å; H39-F43 PolarHBondContact O-N 2.81Å; V40-F43 PolarHBondContact O-N 3.44Å; F43-R46 PolarHBondContact O-N 3.07Å; F43-S47 VanDerWaalsContact O-CB 3.3Å; F43-S47 WeakPolarHBondContact O-CB 3.38Å; F43-S47 PolarHBondContact O-N 3.07Å; F43-S47 PolarHBondContact O-OG 2.95Å
44L91.7Very high91.3Very high101 Ų10188.1 Ų88.153%0.52944%0.435SS..Hα-helixtrans-64.6-39.8177.5-71174.6000111.9V40 R41 S47 R48V40-L44 HydrophobicContact CG1-CD1 3.96Å; V40-L44 HydrophobicContact CG1-CG 4.32Å; V40-L44 WeakPolarHBondContact O-CB 3.43Å; V40-L44 WeakPolarHBondContact O-CG 3.15Å; V40-L44 PolarHBondContact O-N 2.86Å; R41-L44 PolarHBondContact O-N 3.34Å; L44-S47 PolarHBondContact O-N 3.37Å; L44-R48 WeakPolarHBondContact O-CB 3.38Å; L44-R48 PolarHBondContact O-N 3.29Å
45C91.6Very high91.3Very high86 Ų8690.7 Ų90.758%0.58144%0.435SS*.Hα-helixtrans-62.9-50.6175.1-176.70000111.4R41 S42 S47 R48 L49R41-C45 VanDerWaalsContact O-CB 3.32Å; R41-C45 WeakPolarHBondContact O-CB 3.48Å; R41-C45 PolarHBondContact O-N 3.35Å; S42-C45 PolarHBondContact O-N 3.46Å; C45-S47 VanDerWaalsContact C-N 3.28Å; C45-S47 PolarHBondContact O-N 2.86Å; C45-R48 PolarHBondContact O-N 3.03Å; C45-R48 VanDerWaalsContact O-N 3.16Å; C45-L49 PolarHBondContact O-N 3.22Å
46R88.1Confident91.2Very high128 Ų12891.5 Ų91.548%0.48343%0.434SS..Hα-helixtrans-57.7-41.7174.6-72.3-169.7-61.9-98.2-2.1111.9S42 F43 R48 L49 Q50S42-R46 WeakPolarHBondContact O-CG 3.42Å; S42-R46 PolarHBondContact O-N 3.37Å; S42-R46 PolarHBondContact OG-NH1 3.24Å; F43-R46 PolarHBondContact O-N 3.07Å; R46-R48 VanDerWaalsContact C-N 3.35Å; R46-R48 PolarHBondContact O-N 3.5Å; R46-L49 PolarHBondContact O-N 2.94Å; R46-Q50 WeakPolarHBondContact O-CB 3.36Å; R46-Q50 VanDerWaalsContact O-CG 3.27Å; R46-Q50 WeakPolarHBondContact O-CG 3.29Å; R46-Q50 PolarHBondContact O-N 2.85Å
47S88.4Confident91.1Very high27 Ų2786.6 Ų86.619%0.18941%0.408CS..Hα-helixtrans-67.8-33.2179.1-59.90000112.7F43 L44 C45 R51F43-S47 VanDerWaalsContact O-CB 3.3Å; F43-S47 WeakPolarHBondContact O-CB 3.38Å; F43-S47 PolarHBondContact O-N 3.07Å; F43-S47 PolarHBondContact O-OG 2.95Å; L44-S47 PolarHBondContact O-N 3.37Å; C45-S47 VanDerWaalsContact C-N 3.28Å; C45-S47 PolarHBondContact O-N 2.86Å; S47-R51 WeakPolarHBondContact O-CG 3.49Å; S47-R51 PolarHBondContact O-N 3.42Å; S47-R51 PolarHBondContact O-NE 3.35Å
48R91.4Very high90.9Very high161 Ų16183.8 Ų83.861%0.60840%0.397SS*.Hα-helixtrans-69.3-50.4173-171.3-177.3-67.2-174.2-3.2110.3L44 C45 R46 Q50 R51 D52L44-R48 WeakPolarHBondContact O-CB 3.38Å; L44-R48 PolarHBondContact O-N 3.29Å; C45-R48 PolarHBondContact O-N 3.03Å; C45-R48 VanDerWaalsContact O-N 3.16Å; R46-R48 VanDerWaalsContact C-N 3.35Å; R46-R48 PolarHBondContact O-N 3.5Å; R48-Q50 VanDerWaalsContact C-N 3.32Å; R48-Q50 PolarHBondContact O-N 3.29Å; R48-R51 WeakPolarHBondContact O-CB 3.49Å; R48-R51 PolarHBondContact O-N 3.36Å; R48-D52 VanDerWaalsContact O-CG 3.3Å; R48-D52 PolarHBondContact O-N 3.48Å
49L90.6Very high90.7Very high91 Ų9185.3 Ų85.348%0.47640%0.397SS..Hα-helixtrans-57.1-43.7177.6-178.665000112.2C45 R46 R51 D52 I53C45-L49 PolarHBondContact O-N 3.22Å; R46-L49 PolarHBondContact O-N 2.94Å; L49-R51 VanDerWaalsContact C-N 3.33Å; L49-R51 PolarHBondContact O-N 3.09Å; L49-D52 PolarHBondContact O-N 2.94Å; L49-I53 HydrophobicContact CD1-CD1 4.06Å; L49-I53 HydrophobicContact CD1-CG1 4.32Å; L49-I53 HydrophobicContact CG-CD1 3.87Å; L49-I53 WeakPolarHBondContact O-CB 3.4Å; L49-I53 VanDerWaalsContact O-CG1 3.28Å; L49-I53 WeakPolarHBondContact O-CG1 3.45Å; L49-I53 PolarHBondContact O-N 3.39Å
50Q89.9Confident90.5Very high44 Ų4481.4 Ų81.421%0.20638%0.378CS..Hα-helixtrans-61.6-39.7175.9-76.1174.3-7.200112.3R46 R48 R54 V86R46-Q50 WeakPolarHBondContact O-CB 3.36Å; R46-Q50 VanDerWaalsContact O-CG 3.27Å; R46-Q50 WeakPolarHBondContact O-CG 3.29Å; R46-Q50 PolarHBondContact O-N 2.85Å; R48-Q50 VanDerWaalsContact C-N 3.32Å; R48-Q50 PolarHBondContact O-N 3.29Å; Q50-R54 WeakPolarHBondContact O-CB 3.4Å; Q50-R54 VanDerWaalsContact O-CG 3.31Å; Q50-R54 WeakPolarHBondContact O-CG 3.4Å; Q50-R54 PolarHBondContact O-N 2.62Å; Q50-V86 HydrophobicContact CG-CB 4.2Å; Q50-V86 HydrophobicContact CG-CG1 3.92Å
51R89.3Confident90.1Very high133 Ų13378.4 Ų78.450%0.50236%0.359SS..Hα-helixtrans-67.3-42.6175.3-80.4-177.9-70.4125-10.2112.3S47 R48 L49 R54 R55S47-R51 WeakPolarHBondContact O-CG 3.49Å; S47-R51 PolarHBondContact O-N 3.42Å; S47-R51 PolarHBondContact O-NE 3.35Å; R48-R51 WeakPolarHBondContact O-CB 3.49Å; R48-R51 PolarHBondContact O-N 3.36Å; L49-R51 VanDerWaalsContact C-N 3.33Å; L49-R51 PolarHBondContact O-N 3.09Å; R51-R54 PolarHBondContact O-N 3.16Å; R51-R55 WeakPolarHBondContact O-CB 3.42Å; R51-R55 PolarHBondContact O-N 3.08Å
52D91.8Very high89.4Confident61 Ų6177.4 Ų77.433%0.32636%0.36SS..Hα-helixtrans-65.2-45179.8-63.2-21.7000110.5R48 L49 R54 R55 E56R48-D52 VanDerWaalsContact O-CG 3.3Å; R48-D52 PolarHBondContact O-N 3.48Å; L49-D52 PolarHBondContact O-N 2.94Å; D52-R54 PolarHBondContact O-N 2.66Å; D52-R55 WeakPolarHBondContact O-CB 3.38Å; D52-R55 PolarHBondContact O-N 3Å; D52-E56 WeakPolarHBondContact O-CG 3.19Å; D52-E56 PolarHBondContact O-N 3.14Å
53I91.4Very high87.9Confident19 Ų1977.6 Ų77.610%0.09737%0.365CS..Hα-helixtrans-58.6-46173.9-71169.5000111.3L49 R55 E56 I57 K82 F85 V86L49-I53 HydrophobicContact CD1-CD1 4.06Å; L49-I53 HydrophobicContact CD1-CG1 4.32Å; L49-I53 HydrophobicContact CG-CD1 3.87Å; L49-I53 WeakPolarHBondContact O-CB 3.4Å; L49-I53 VanDerWaalsContact O-CG1 3.28Å; L49-I53 WeakPolarHBondContact O-CG1 3.45Å; L49-I53 PolarHBondContact O-N 3.39Å; I53-R55 VanDerWaalsContact C-N 3.33Å; I53-R55 PolarHBondContact O-N 3.02Å; I53-E56 PolarHBondContact O-N 3.28Å; I53-I57 HydrophobicContact CG2-CD1 3.71Å; I53-I57 WeakPolarHBondContact O-CD1 3.4Å; I53-I57 VanDerWaalsContact O-CG1 3.24Å; I53-I57 WeakPolarHBondContact O-CG1 3.34Å; I53-I57 PolarHBondContact O-N 3.21Å; I53-I57 VanDerWaalsContact O-N 3.08Å; I53-K82 HydrophobicContact CG2-CB 4.01Å; I53-F85 HydrophobicContact CD1-CD1 4.23Å; I53-V86 HydrophobicContact CB-CG1 4.38Å; I53-V86 HydrophobicContact CD1-CG1 3.72Å; I53-V86 HydrophobicContact CG2-CG1 4.12Å; I53-V86 HydrophobicContact CG2-CG2 3.79Å
54R91.5Very high86Confident28 Ų2877 Ų7711%0.10637%0.367CS..Hα-helixtrans-63.9-38178.4-77.3176.1178.8143.5-6.5112.5Q50 R51 D52 I57 D58 V86 E91 D92Q50-R54 WeakPolarHBondContact O-CB 3.4Å; Q50-R54 VanDerWaalsContact O-CG 3.31Å; Q50-R54 WeakPolarHBondContact O-CG 3.4Å; Q50-R54 PolarHBondContact O-N 2.62Å; R51-R54 PolarHBondContact O-N 3.16Å; D52-R54 PolarHBondContact O-N 2.66Å; R54-I57 PolarHBondContact O-N 3.16Å; R54-D58 PolarHBondContact O-N 2.88Å; R54-V86 HydrophobicContact CG-CG2 4.42Å; R54-E91 IonicContact CZ-OE2 2.63Å; R54-E91 IonicContact NH1-OE2 2.99Å; R54-E91 PolarHBondContact NH1-OE2 2.73Å; R54-E91 IonicContact NH2-OE2 3.76Å; R54-E91 PolarHBondContact NH2-OE2 3.18Å; R54-D92 IonicContact CZ-OD1 3.07Å; R54-D92 IonicContact CZ-OD2 3.44Å; R54-D92 IonicContact NE-OD1 3.55Å; R54-D92 PolarHBondContact NE-OD1 3.11Å; R54-D92 VanDerWaalsContact NE-OD1 3.07Å; R54-D92 IonicContact NE-OD2 3.35Å; R54-D92 PolarHBondContact NE-OD2 3.37Å; R54-D92 IonicContact NH2-OD1 2.79Å; R54-D92 IonicContact NH2-OD2 3.73Å; R54-D92 PolarHBondContact NH2-OD2 3.17Å
55R90.3Very high83.9Confident147 Ų14778.5 Ų78.556%0.55538%0.375SS*.Hα-helixtrans-61.5-47.5174.9-171-174.7-63.6167.4-1.1111.3R51 D52 I53 I57 D58 D59R51-R55 WeakPolarHBondContact O-CB 3.42Å; R51-R55 PolarHBondContact O-N 3.08Å; D52-R55 WeakPolarHBondContact O-CB 3.38Å; D52-R55 PolarHBondContact O-N 3Å; I53-R55 VanDerWaalsContact C-N 3.33Å; I53-R55 PolarHBondContact O-N 3.02Å; R55-I57 VanDerWaalsContact C-N 3.25Å; R55-I57 PolarHBondContact O-N 2.94Å; R55-D58 PolarHBondContact O-N 3.12Å; R55-D58 VanDerWaalsContact O-N 3.16Å; R55-D59 WeakPolarHBondContact O-CB 3.2Å; R55-D59 PolarHBondContact O-N 3.04Å
56E90.2Very high81.7Confident96 Ų9681.1 Ų81.145%0.44939%0.392SS..Hα-helixtrans-58.8-37.6176.1-69.5178.4178.500112.6D52 I53 F60 K82D52-E56 WeakPolarHBondContact O-CG 3.19Å; D52-E56 PolarHBondContact O-N 3.14Å; I53-E56 PolarHBondContact O-N 3.28Å; E56-F60 WeakPolarHBondContact O-CB 3.29Å; E56-F60 PolarHBondContact O-N 3.06Å; E56-K82 IonicContact OE2-NZ 3.7Å; E56-K82 PolarHBondContact OE2-NZ 3.09Å
57I90.3Very high79.7Confident2 Ų278.8 Ų78.81%0.0141%0.407CS..Hα-helixtrans-68.9-43.7176.7-66.1161.8000110.7I53 R54 R55 D59 F60 F61 V79 K82 L83I53-I57 HydrophobicContact CG2-CD1 3.71Å; I53-I57 WeakPolarHBondContact O-CD1 3.4Å; I53-I57 VanDerWaalsContact O-CG1 3.24Å; I53-I57 WeakPolarHBondContact O-CG1 3.34Å; I53-I57 PolarHBondContact O-N 3.21Å; I53-I57 VanDerWaalsContact O-N 3.08Å; R54-I57 PolarHBondContact O-N 3.16Å; R55-I57 VanDerWaalsContact C-N 3.25Å; R55-I57 PolarHBondContact O-N 2.94Å; I57-D59 VanDerWaalsContact C-N 3.34Å; I57-F60 WeakPolarHBondContact O-CB 3.34Å; I57-F60 PolarHBondContact O-N 3.05Å; I57-F61 HydrophobicContact CG2-CD2 3.77Å; I57-F61 HydrophobicContact CG2-CE2 3.44Å; I57-F61 VanDerWaalsContact CG2-CE2 3.44Å; I57-F61 WeakPolarHBondContact O-CD2 3.47Å; I57-F61 PolarHBondContact O-N 3.33Å; I57-F61 VanDerWaalsContact O-N 3.13Å; I57-V79 HydrophobicContact CG1-CG1 4.24Å; I57-V79 HydrophobicContact CG2-CG1 4.24Å; I57-K82 HydrophobicContact CD1-CB 4.29Å; I57-K82 HydrophobicContact CG1-CB 4.5Å; I57-L83 HydrophobicContact CD1-CB 3.88Å; I57-L83 HydrophobicContact CD1-CD1 4.01Å
58D89.9Confident77.8Confident42 Ų4280.5 Ų80.523%0.22542%0.419CS..Hα-helixtrans-63.6-41.8177.9-69-23.8000111.3R54 R55 F60 F61 K62 R95R54-D58 PolarHBondContact O-N 2.88Å; R55-D58 PolarHBondContact O-N 3.12Å; R55-D58 VanDerWaalsContact O-N 3.16Å; D58-F60 VanDerWaalsContact C-N 3.32Å; D58-F60 PolarHBondContact O-N 3.5Å; D58-F61 PolarHBondContact O-N 3.24Å; D58-K62 WeakPolarHBondContact O-CB 3.32Å; D58-K62 WeakPolarHBondContact O-CG 3.3Å; D58-K62 PolarHBondContact O-N 3.44Å; D58-R95 IonicContact OD1-CZ 3.54Å; D58-R95 IonicContact OD1-NE 2.83Å; D58-R95 PolarHBondContact OD1-NE 3.07Å; D58-R95 IonicContact OD1-NH2 3.34Å; D58-R95 PolarHBondContact OD1-NH2 2.8Å; D58-R95 IonicContact OD2-CZ 2.77Å; D58-R95 IonicContact OD2-NE 3.45Å; D58-R95 PolarHBondContact OD2-NE 3.45Å; D58-R95 IonicContact OD2-NH2 3.31Å; D58-R95 PolarHBondContact OD2-NH2 3.16Å
59D88.1Confident76Confident85 Ų8578.9 Ų78.946%0.45543%0.427SS..Hα-helixtrans-64.7-38.2176.4-66.4-20.9000111.2R55 I57 F61 K62R55-D59 WeakPolarHBondContact O-CB 3.2Å; R55-D59 PolarHBondContact O-N 3.04Å; I57-D59 VanDerWaalsContact C-N 3.34Å; D59-F61 VanDerWaalsContact C-N 3.32Å; D59-F61 PolarHBondContact O-N 2.89Å; D59-K62 PolarHBondContact O-N 3.34Å
60F86.5Confident74.6Confident44 Ų4480.2 Ų80.219%0.19343%0.429CS..Hα-helixtrans-59.6-41.2173.3178-97.5000112.4E56 I57 D58 R71 C75 I76 V79E56-F60 WeakPolarHBondContact O-CB 3.29Å; E56-F60 PolarHBondContact O-N 3.06Å; I57-F60 WeakPolarHBondContact O-CB 3.34Å; I57-F60 PolarHBondContact O-N 3.05Å; D58-F60 VanDerWaalsContact C-N 3.32Å; D58-F60 PolarHBondContact O-N 3.5Å; F60-R71 HydrophobicContact CZ-CG 4.33Å; F60-R71 PolarHBondContact O-NH2 2.92Å; F60-C75 HydrophobicContact CE2-CB 4.2Å; F60-I76 HydrophobicContact CZ-CG1 4.35Å; F60-V79 HydrophobicContact CB-CG2 4.24Å; F60-V79 HydrophobicContact CD1-CB 4.2Å; F60-V79 HydrophobicContact CD1-CG1 3.78Å; F60-V79 HydrophobicContact CD1-CG2 3.81Å; F60-V79 HydrophobicContact CD2-CG2 3.67Å; F60-V79 HydrophobicContact CE1-CB 4.23Å; F60-V79 HydrophobicContact CE1-CG1 4.16Å; F60-V79 HydrophobicContact CE1-CG2 3.99Å; F60-V79 HydrophobicContact CE2-CG2 3.85Å; F60-V79 HydrophobicContact CG-CB 4.48Å; F60-V79 HydrophobicContact CG-CG1 4.24Å; F60-V79 HydrophobicContact CG-CG2 3.63Å; F60-V79 HydrophobicContact CZ-CG2 3.99Å
61F84.3Confident73.9Confident10 Ų1080.3 Ų80.34%0.04443%0.428CS..Hα-helixtrans-83.8-18.3179.7-67.2-54.8000114.5I57 D58 D59 A63 V79 K98 L99I57-F61 HydrophobicContact CG2-CD2 3.77Å; I57-F61 HydrophobicContact CG2-CE2 3.44Å; I57-F61 VanDerWaalsContact CG2-CE2 3.44Å; I57-F61 WeakPolarHBondContact O-CD2 3.47Å; I57-F61 PolarHBondContact O-N 3.33Å; I57-F61 VanDerWaalsContact O-N 3.13Å; D58-F61 PolarHBondContact O-N 3.24Å; D59-F61 VanDerWaalsContact C-N 3.32Å; D59-F61 PolarHBondContact O-N 2.89Å; F61-A63 VanDerWaalsContact C-N 3.34Å; F61-V79 HydrophobicContact CZ-CG1 4.32Å; F61-K98 HydrophobicContact CB-CD 3.99Å; F61-K98 HydrophobicContact CD1-CB 3.93Å; F61-K98 HydrophobicContact CD2-CB 4.09Å; F61-K98 HydrophobicContact CD2-CD 4.37Å; F61-K98 HydrophobicContact CE1-CB 4.07Å; F61-K98 HydrophobicContact CE2-CB 4.2Å; F61-K98 HydrophobicContact CG-CB 3.96Å; F61-K98 HydrophobicContact CG-CD 4.19Å; F61-K98 HydrophobicContact CZ-CB 4.22Å; F61-L99 HydrophobicContact CZ-CB 3.86Å; F61-L99 HydrophobicContact CZ-CD1 4.29Å
62K78.5Confident73.6Confident154 Ų15476.2 Ų76.267%0.6742%0.419SS*.Hα-helixtrans-73.7-23176.2-82.7175.9-178.1174.90113.7D58 D59 D64D58-K62 WeakPolarHBondContact O-CB 3.32Å; D58-K62 WeakPolarHBondContact O-CG 3.3Å; D58-K62 PolarHBondContact O-N 3.44Å; D59-K62 PolarHBondContact O-N 3.34Å; K62-D64 PolarHBondContact O-N 3.42Å
63A61Low73.4Confident54 Ų5473.3 Ų73.345%0.44640%0.404SS..  trans-72.321.9-177.500000115.1F61 D65 S68F61-A63 VanDerWaalsContact C-N 3.34Å; A63-D65 VanDerWaalsContact C-N 3.3Å; A63-D65 PolarHBondContact O-N 3.23Å; A63-S68 WeakPolarHBondContact O-CB 3.29Å; A63-S68 PolarHBondContact O-OG 2.89Å
64D51.8Low73.2Confident104 Ų10475.9 Ų75.956%0.55642%0.418SS*.  trans-90.352.8177.8-78.3-38000111.6K62 R71K62-D64 PolarHBondContact O-N 3.42Å; D64-R71 IonicContact OD1-CZ 3.75Å; D64-R71 IonicContact OD1-NH1 3.35Å; D64-R71 PolarHBondContact OD1-NH1 3.4Å; D64-R71 IonicContact OD1-NH2 3.28Å; D64-R71 PolarHBondContact OD1-NH2 2.79Å; D64-R71 IonicContact OD2-CZ 2.75Å; D64-R71 IonicContact OD2-NH1 2.92Å; D64-R71 PolarHBondContact OD2-NH1 3.34Å; D64-R71 IonicContact OD2-NH2 3.21Å; D64-R71 PolarHBondContact OD2-NH2 2.96Å
65D48Very low73.1Confident132 Ų13277.2 Ų77.271%0.70643%0.43SS*.  trans-80.4152.4162.9-105.1-25.8000110.1A63 G67 S68A63-D65 VanDerWaalsContact C-N 3.3Å; A63-D65 PolarHBondContact O-N 3.23Å; D65-G67 PolarHBondContact O-N 3.12Å; D65-S68 PolarHBondContact O-N 2.94Å
66P43.8Very low73.2Confident142 Ų14270.3 Ų70.392%0.92241%0.405SS*.THydrogen-bonded Turntrans-7128.8-169.428.9-33.9000115.6
67G46.5Very low73.3Confident79 Ų7966 Ų6681%0.81439%0.385SS*.THydrogen-bonded Turntrans-142.28.9174.200000115.3D65D65-G67 PolarHBondContact O-N 3.12Å
68S49.8Very low73.3Confident62 Ų6271.9 Ų71.943%0.43441%0.41SS..  trans-79.5127.8-174.7-179.10000113.2A63 D65 K70A63-S68 WeakPolarHBondContact O-CB 3.29Å; A63-S68 PolarHBondContact O-OG 2.89Å; D65-S68 PolarHBondContact O-N 2.94Å; S68-K70 PolarHBondContact O-N 3.28Å
69T53.2Low73.5Confident127 Ų12770.7 Ų70.778%0.77940%0.404SS*.  trans-46.8130.4172.928.70000112.7R71T69-R71 PolarHBondContact O-N 3.49Å
70K61.3Low73.7Confident120 Ų12066.7 Ų66.752%0.52238%0.383SS..  trans-45.6125.3177.2-65.6178.1-173.7167.90111.4S68 S72 E112S68-K70 PolarHBondContact O-N 3.28Å; K70-S72 PolarHBondContact O-N 2.92Å; K70-E112 IonicContact NZ-OE1 3.41Å; K70-E112 PolarHBondContact NZ-OE1 3.07Å
71R74.4Confident74.1Confident45 Ų4570.1 Ų70.117%0.1739%0.394CS..  trans-67.3129.3-178-65.5172.3174.4149.74.7110.6F60 D64 T69 I76F60-R71 HydrophobicContact CZ-CG 4.33Å; F60-R71 PolarHBondContact O-NH2 2.92Å; D64-R71 IonicContact OD1-CZ 3.75Å; D64-R71 IonicContact OD1-NH1 3.35Å; D64-R71 PolarHBondContact OD1-NH1 3.4Å; D64-R71 IonicContact OD1-NH2 3.28Å; D64-R71 PolarHBondContact OD1-NH2 2.79Å; D64-R71 IonicContact OD2-CZ 2.75Å; D64-R71 IonicContact OD2-NH1 2.92Å; D64-R71 PolarHBondContact OD2-NH1 3.34Å; D64-R71 IonicContact OD2-NH2 3.21Å; D64-R71 PolarHBondContact OD2-NH2 2.96Å; T69-R71 PolarHBondContact O-N 3.49Å; R71-I76 HydrophobicContact CB-CD1 4.39Å; R71-I76 HydrophobicContact CB-CG1 4.3Å
72S84.1Confident74.5Confident47 Ų4774 Ų7433%0.32941%0.411SS..  trans-69.1150.4177.578.70000112.5K70 L74 C75 I76K70-S72 PolarHBondContact O-N 2.92Å; S72-L74 PolarHBondContact O-N 2.91Å; S72-C75 WeakPolarHBondContact O-CB 3.4Å; S72-C75 PolarHBondContact O-N 3.43Å; S72-C75 VanDerWaalsContact O-N 3.08Å; S72-C75 PolarHBondContact OG-N 3.31Å; S72-C75 PolarHBondContact OG-SG 3.46Å; S72-I76 PolarHBondContact O-N 2.84Å
73A86.3Confident75.2Confident1 Ų166.6 Ų66.61%0.00838%0.379CS..Hα-helixtrans-54.6-39.4176.800000112.3C75 I76 F77 K114 L120A73-C75 PolarHBondContact O-N 3.13Å; A73-I76 PolarHBondContact O-N 3.4Å; A73-F77 WeakPolarHBondContact O-CB 3.45Å; A73-F77 PolarHBondContact O-N 3.2Å; A73-K114 PolarHBondContact N-O 3.34Å; A73-L120 HydrophobicContact CB-CD1 4.11Å; A73-L120 HydrophobicContact CB-CD2 4.3Å; A73-L120 HydrophobicContact CB-CG 3.99Å
74L88.4Confident76.7Confident72 Ų7265.7 Ų65.738%0.37737%0.366SS..Hα-helixtrans-66.4-35.5-179.9-172.666.5000112.7S72 F77 K78 L120 L126S72-L74 PolarHBondContact O-N 2.91Å; L74-F77 PolarHBondContact O-N 3.38Å; L74-K78 WeakPolarHBondContact O-CG 3.35Å; L74-K78 PolarHBondContact O-N 2.88Å; L74-K78 VanDerWaalsContact O-N 3.07Å; L74-L120 HydrophobicContact CD1-CD2 4.38Å; L74-L126 HydrophobicContact CD1-CD1 3.78Å
75C89.5Confident78.6Confident56 Ų5668.1 Ų68.138%0.37837%0.372SS..Hα-helixtrans-65.8-47.8175.1-70.70000110.9F60 S72 A73 F77 K78 V79F60-C75 HydrophobicContact CE2-CB 4.2Å; S72-C75 WeakPolarHBondContact O-CB 3.4Å; S72-C75 PolarHBondContact O-N 3.43Å; S72-C75 VanDerWaalsContact O-N 3.08Å; S72-C75 PolarHBondContact OG-N 3.31Å; S72-C75 PolarHBondContact OG-SG 3.46Å; A73-C75 PolarHBondContact O-N 3.13Å; C75-F77 VanDerWaalsContact C-N 3.28Å; C75-F77 PolarHBondContact O-N 3.15Å; C75-K78 PolarHBondContact O-N 3.2Å; C75-V79 WeakPolarHBondContact O-CG2 3.31Å; C75-V79 PolarHBondContact O-N 3.42Å
76I90.6Very high80.6Confident2 Ų262.1 Ų62.11%0.0134%0.341CS..Hα-helixtrans-58.9-43176.8-58.7172.5000110F60 R71 S72 A73 K78 V79 A80 L99 I103 Y117F60-I76 HydrophobicContact CZ-CG1 4.35Å; R71-I76 HydrophobicContact CB-CD1 4.39Å; R71-I76 HydrophobicContact CB-CG1 4.3Å; S72-I76 PolarHBondContact O-N 2.84Å; A73-I76 PolarHBondContact O-N 3.4Å; I76-K78 PolarHBondContact O-N 3.22Å; I76-V79 PolarHBondContact O-N 3.13Å; I76-A80 VanDerWaalsContact O-CB 3.27Å; I76-A80 WeakPolarHBondContact O-CB 3.27Å; I76-A80 PolarHBondContact O-N 3.08Å; I76-L99 HydrophobicContact CG2-CD1 4.09Å; I76-I103 HydrophobicContact CG2-CG1 3.68Å; I76-Y117 HydrophobicContact CB-CD2 4.1Å; I76-Y117 HydrophobicContact CB-CE2 3.94Å; I76-Y117 HydrophobicContact CG2-CD2 3.87Å; I76-Y117 HydrophobicContact CG2-CE2 3.59Å
77F92.6Very high82.9Confident7 Ų756.5 Ų56.53%0.03130%0.302CS..Hα-helixtrans-59.3-46177.6177.1-97.7000112.8A73 L74 C75 A80 R81 Y117 L120 L126 L129 W130 Q133A73-F77 WeakPolarHBondContact O-CB 3.45Å; A73-F77 PolarHBondContact O-N 3.2Å; L74-F77 PolarHBondContact O-N 3.38Å; C75-F77 VanDerWaalsContact C-N 3.28Å; C75-F77 PolarHBondContact O-N 3.15Å; F77-A80 PolarHBondContact O-N 3.09Å; F77-R81 HydrophobicContact CE1-CG 4.35Å; F77-R81 HydrophobicContact CZ-CG 4.37Å; F77-R81 WeakPolarHBondContact O-CG 3.48Å; F77-R81 PolarHBondContact O-N 3.46Å; F77-Y117 HydrophobicContact CB-CE2 4.2Å; F77-L120 HydrophobicContact CB-CD1 3.54Å; F77-L120 HydrophobicContact CD2-CD1 3.93Å; F77-L120 HydrophobicContact CG-CD1 3.91Å; F77-L126 HydrophobicContact CE1-CD2 4.11Å; F77-L126 HydrophobicContact CZ-CD2 4.43Å; F77-L129 HydrophobicContact CZ-CB 3.9Å; F77-W130 HydrophobicContact CE2-CB 4.21Å; F77-Q133 PolarHBondContact O-NE2 2.93Å; F77-Q133 VanDerWaalsContact O-NE2 3.09Å
78K92Very high84.9Confident125 Ų12557.9 Ų57.954%0.54328%0.282SS..Hα-helixtrans-63-44178.1-74.2176.3-179.5-179.90111.8L74 C75 I76 R81 K82L74-K78 WeakPolarHBondContact O-CG 3.35Å; L74-K78 PolarHBondContact O-N 2.88Å; L74-K78 VanDerWaalsContact O-N 3.07Å; C75-K78 PolarHBondContact O-N 3.2Å; I76-K78 PolarHBondContact O-N 3.22Å; K78-R81 PolarHBondContact O-N 3.34Å; K78-K82 PolarHBondContact O-N 3.01Å; K78-K82 VanDerWaalsContact O-N 3.15Å
79V92.6Very high86.5Confident17 Ų1757 Ų5710%0.10327%0.272CS..Hα-helixtrans-65.9-45.1178.2173.50000110.9I57 F60 F61 C75 I76 R81 K82 L83I57-V79 HydrophobicContact CG1-CG1 4.24Å; I57-V79 HydrophobicContact CG2-CG1 4.24Å; F60-V79 HydrophobicContact CB-CG2 4.24Å; F60-V79 HydrophobicContact CD1-CB 4.2Å; F60-V79 HydrophobicContact CD1-CG1 3.78Å; F60-V79 HydrophobicContact CD1-CG2 3.81Å; F60-V79 HydrophobicContact CD2-CG2 3.67Å; F60-V79 HydrophobicContact CE1-CB 4.23Å; F60-V79 HydrophobicContact CE1-CG1 4.16Å; F60-V79 HydrophobicContact CE1-CG2 3.99Å; F60-V79 HydrophobicContact CE2-CG2 3.85Å; F60-V79 HydrophobicContact CG-CB 4.48Å; F60-V79 HydrophobicContact CG-CG1 4.24Å; F60-V79 HydrophobicContact CG-CG2 3.63Å; F60-V79 HydrophobicContact CZ-CG2 3.99Å; F61-V79 HydrophobicContact CZ-CG1 4.32Å; C75-V79 WeakPolarHBondContact O-CG2 3.31Å; C75-V79 PolarHBondContact O-N 3.42Å; I76-V79 PolarHBondContact O-N 3.13Å; V79-R81 VanDerWaalsContact C-N 3.28Å; V79-R81 PolarHBondContact O-N 3.48Å; V79-K82 WeakPolarHBondContact O-CB 3.15Å; V79-K82 PolarHBondContact O-N 2.91Å; V79-K82 VanDerWaalsContact O-N 3.13Å; V79-L83 PolarHBondContact O-N 3.48Å
80A93.4Very high88Confident0 Ų060.1 Ų60.10%028%0.275CS..Hα-helixtrans-57.8-39.9175.400000111.9I76 F77 L83 L84 L99 I137I76-A80 VanDerWaalsContact O-CB 3.27Å; I76-A80 WeakPolarHBondContact O-CB 3.27Å; I76-A80 PolarHBondContact O-N 3.08Å; F77-A80 PolarHBondContact O-N 3.09Å; A80-L83 PolarHBondContact O-N 3.46Å; A80-L84 WeakPolarHBondContact O-CB 3.42Å; A80-L84 WeakPolarHBondContact O-CD1 3.23Å; A80-L84 WeakPolarHBondContact O-CG 3.39Å; A80-L84 PolarHBondContact O-N 3.04Å; A80-L99 HydrophobicContact CB-CD1 3.87Å; A80-L99 HydrophobicContact CB-CD2 3.82Å; A80-L99 HydrophobicContact CB-CG 4.47Å; A80-I137 HydrophobicContact CB-CD1 4.37Å
81R93.8Very high89.2Confident116 Ų11658.7 Ų58.744%0.43827%0.27SS..Hα-helixtrans-64.2-43176.1-74.1-174.267.5135.6-1.4112.1F77 K78 V79 F85F77-R81 HydrophobicContact CE1-CG 4.35Å; F77-R81 HydrophobicContact CZ-CG 4.37Å; F77-R81 WeakPolarHBondContact O-CG 3.48Å; F77-R81 PolarHBondContact O-N 3.46Å; K78-R81 PolarHBondContact O-N 3.34Å; V79-R81 VanDerWaalsContact C-N 3.28Å; V79-R81 PolarHBondContact O-N 3.48Å; R81-F85 WeakPolarHBondContact O-CB 3.34Å; R81-F85 PolarHBondContact O-N 2.99Å
82K92.6Very high89.9Confident91 Ų9156.5 Ų56.540%0.39626%0.262SS..Hα-helixtrans-62.2-45.2176.8-73.8-175.6178.9-173.70111I53 E56 I57 K78 V79 F85 V86I53-K82 HydrophobicContact CG2-CB 4.01Å; E56-K82 IonicContact OE2-NZ 3.7Å; E56-K82 PolarHBondContact OE2-NZ 3.09Å; I57-K82 HydrophobicContact CD1-CB 4.29Å; I57-K82 HydrophobicContact CG1-CB 4.5Å; K78-K82 PolarHBondContact O-N 3.01Å; K78-K82 VanDerWaalsContact O-N 3.15Å; V79-K82 WeakPolarHBondContact O-CB 3.15Å; V79-K82 PolarHBondContact O-N 2.91Å; V79-K82 VanDerWaalsContact O-N 3.13Å; K82-F85 PolarHBondContact O-N 2.9Å; K82-V86 PolarHBondContact O-N 3.36Å
83L92.8Very high90.2Very high0 Ų058 Ų580%027%0.266CS..Hα-helixtrans-60.7-52.6177-176.762.5000111I57 V79 A80 F85 V86 F87 D92 R95 L99I57-L83 HydrophobicContact CD1-CB 3.88Å; I57-L83 HydrophobicContact CD1-CD1 4.01Å; V79-L83 PolarHBondContact O-N 3.48Å; A80-L83 PolarHBondContact O-N 3.46Å; L83-F85 PolarHBondContact O-N 3.43Å; L83-V86 CarbonylContact O-C 3.47Å; L83-V86 PolarHBondContact O-N 3.38Å; L83-V86 VanDerWaalsContact O-N 3.08Å; L83-F87 HydrophobicContact CD1-CD2 4.26Å; L83-F87 HydrophobicContact CG-CD2 4.16Å; L83-F87 WeakPolarHBondContact O-CA 3.15Å; L83-F87 VanDerWaalsContact O-CB 3.31Å; L83-F87 WeakPolarHBondContact O-CB 3.46Å; L83-F87 PolarHBondContact O-N 2.98Å; L83-D92 HydrophobicContact CD1-CB 4.28Å; L83-R95 HydrophobicContact CD1-CB 4.08Å; L83-R95 HydrophobicContact CD2-CB 4.35Å; L83-L99 HydrophobicContact CD2-CB 4.32Å; L83-L99 HydrophobicContact CD2-CD2 3.8Å
84L92.7Very high90.4Very high34 Ų3464 Ų6418%0.17829%0.294CS..Hα-helixtrans-61.4-26.3-178.9-67.2167.2000113.3A80 Q133 I137 Y140A80-L84 WeakPolarHBondContact O-CB 3.42Å; A80-L84 WeakPolarHBondContact O-CD1 3.23Å; A80-L84 WeakPolarHBondContact O-CG 3.39Å; A80-L84 PolarHBondContact O-N 3.04Å; L84-Q133 HydrophobicContact CD1-CG 3.46Å; L84-Q133 VanDerWaalsContact CD1-CG 3.46Å; L84-I137 HydrophobicContact CD1-CD1 4.39Å; L84-I137 HydrophobicContact CD1-CG1 3.98Å; L84-I137 HydrophobicContact CD2-CG1 4.27Å; L84-Y140 HydrophobicContact CD2-CD2 3.7Å; L84-Y140 HydrophobicContact CD2-CE2 3.52Å
85F91.5Very high90.6Very high155 Ų15562.8 Ų62.868%0.6829%0.285SS*.Hα-helixtrans-70.8-32.1176.4179.9-107.5000113.2I53 R81 K82 L83I53-F85 HydrophobicContact CD1-CD1 4.23Å; R81-F85 WeakPolarHBondContact O-CB 3.34Å; R81-F85 PolarHBondContact O-N 2.99Å; K82-F85 PolarHBondContact O-N 2.9Å; L83-F85 PolarHBondContact O-N 3.43Å
86V91.7Very high90.9Very high7 Ų760.1 Ų60.14%0.04227%0.267CS..Hα-helixtrans-112.16.1-179-570000113.6Q50 I53 R54 K82 L83 R88Q50-V86 HydrophobicContact CG-CB 4.2Å; Q50-V86 HydrophobicContact CG-CG1 3.92Å; I53-V86 HydrophobicContact CB-CG1 4.38Å; I53-V86 HydrophobicContact CD1-CG1 3.72Å; I53-V86 HydrophobicContact CG2-CG1 4.12Å; I53-V86 HydrophobicContact CG2-CG2 3.79Å; R54-V86 HydrophobicContact CG-CG2 4.42Å; K82-V86 PolarHBondContact O-N 3.36Å; L83-V86 CarbonylContact O-C 3.47Å; L83-V86 PolarHBondContact O-N 3.38Å; L83-V86 VanDerWaalsContact O-N 3.08Å; V86-R88 PolarHBondContact O-N 3.48Å
87F91.2Very high91Very high23 Ų2362.4 Ų62.410%0.10128%0.277CS..  trans-61.2128.3-165.6-173.9-108.8000112.8L83 I89 D92 F96 Y140 F144L83-F87 HydrophobicContact CD1-CD2 4.26Å; L83-F87 HydrophobicContact CG-CD2 4.16Å; L83-F87 WeakPolarHBondContact O-CA 3.15Å; L83-F87 VanDerWaalsContact O-CB 3.31Å; L83-F87 WeakPolarHBondContact O-CB 3.46Å; L83-F87 PolarHBondContact O-N 2.98Å; F87-I89 HydrophobicContact CE1-CB 4.18Å; F87-I89 HydrophobicContact CE1-CG1 4.47Å; F87-D92 HydrophobicContact CD2-CB 3.77Å; F87-D92 HydrophobicContact CE2-CB 3.74Å; F87-F96 HydrophobicContact CE2-CB 3.91Å; F87-F96 HydrophobicContact CE2-CD2 4.02Å; F87-F96 HydrophobicContact CE2-CG 4.22Å; F87-F96 HydrophobicContact CZ-CB 4.33Å; F87-F96 HydrophobicContact CZ-CD2 4.2Å; F87-F96 HydrophobicContact CZ-CG 4.31Å; F87-Y140 AromaticContact CD1-CD1 3.94Å; F87-Y140 HydrophobicContact CD1-CD1 3.94Å; F87-Y140 HydrophobicContact CD1-CD2 4.26Å; F87-Y140 AromaticContact CD1-CE1 3.5Å; F87-Y140 HydrophobicContact CD1-CE1 3.5Å; F87-Y140 AromaticContact CD1-CE2 3.87Å; F87-Y140 HydrophobicContact CD1-CE2 3.87Å; F87-Y140 HydrophobicContact CD1-CG 4.3Å; F87-Y140 AromaticContact CD1-CZ 3.45Å; F87-Y140 VanDerWaalsContact CD1-CZ 3.45Å; F87-Y140 AromaticContact CE1-CD1 3.46Å; F87-Y140 HydrophobicContact CE1-CD1 3.46Å; F87-Y140 VanDerWaalsContact CE1-CD1 3.46Å; F87-Y140 HydrophobicContact CE1-CD2 4.23Å; F87-Y140 AromaticContact CE1-CE1 3.49Å; F87-Y140 HydrophobicContact CE1-CE1 3.49Å; F87-Y140 VanDerWaalsContact CE1-CE1 3.49Å; F87-Y140 HydrophobicContact CE1-CE2 4.26Å; F87-Y140 AromaticContact CE1-CG 3.85Å; F87-Y140 HydrophobicContact CE1-CG 3.85Å; F87-Y140 AromaticContact CE1-CZ 3.9Å; F87-Y140 HydrophobicContact CZ-CD1 4.41Å; F87-F144 AromaticContact CZ-CE2 3.87Å; F87-F144 HydrophobicContact CZ-CE2 3.87Å; F87-F144 AromaticContact CZ-CZ 3.93Å; F87-F144 HydrophobicContact CZ-CZ 3.93Å
88R88.1Confident90.9Very high108 Ų10866.5 Ų66.541%0.40830%0.295SS..  trans-128.2118.3168.5-66.7-176.8-177.1178.71.6109.8V86 K90 E91 D92V86-R88 PolarHBondContact O-N 3.48Å; R88-K90 PolarHBondContact O-N 3.44Å; R88-K90 VanDerWaalsContact O-N 3.07Å; R88-E91 HydrophobicContact CB-CB 4.2Å; R88-E91 HydrophobicContact CB-CG 4.39Å; R88-E91 VanDerWaalsContact CD-OE1 3.29Å; R88-E91 WeakPolarHBondContact CD-OE1 3.35Å; R88-E91 IonicContact CZ-OE1 3.42Å; R88-E91 IonicContact NH1-OE1 2.86Å; R88-E91 PolarHBondContact NH1-OE1 2.64Å; R88-E91 IonicContact NH1-OE2 3.85Å; R88-E91 PolarHBondContact O-N 2.92Å; R88-D92 PolarHBondContact N-OD2 3.49Å; R88-D92 WeakPolarHBondContact O-CB 3.43Å; R88-D92 PolarHBondContact O-N 3.08Å
89I84.5Confident91Very high44 Ų4460.5 Ų60.523%0.22627%0.269CS..THydrogen-bonded Turntrans-54.4-35.8-171.9-161.8164.8000114.2F87 D143 F144F87-I89 HydrophobicContact CE1-CB 4.18Å; F87-I89 HydrophobicContact CE1-CG1 4.47Å; I89-D143 HydrophobicContact CD1-CB 4.27Å; I89-D143 WeakPolarHBondContact CD1-OD2 2.96Å; I89-F144 HydrophobicContact CD1-CD1 4.32Å; I89-F144 HydrophobicContact CD1-CE1 4.1Å; I89-F144 HydrophobicContact CD1-CZ 4.24Å; I89-F144 HydrophobicContact CG1-CD1 4.2Å; I89-F144 HydrophobicContact CG1-CE1 3.5Å; I89-F144 VanDerWaalsContact CG1-CE1 3.5Å; I89-F144 HydrophobicContact CG1-CE2 4.24Å; I89-F144 HydrophobicContact CG1-CZ 3.52Å
90K83.6Confident91.1Very high193 Ų19359.7 Ų59.784%0.83926%0.264SS*.THydrogen-bonded Turntrans-77.5-25.7179.6-65.4-173.6177.4-176.70114.3R88R88-K90 PolarHBondContact O-N 3.44Å; R88-K90 VanDerWaalsContact O-N 3.07Å
91E86.3Confident91.1Very high89 Ų8965 Ų6542%0.41628%0.284SS..THydrogen-bonded Turntrans-103.4-23.8-173.8-65173.8-153.700112.7R54 R88 R95R54-E91 IonicContact CZ-OE2 2.63Å; R54-E91 IonicContact NH1-OE2 2.99Å; R54-E91 PolarHBondContact NH1-OE2 2.73Å; R54-E91 IonicContact NH2-OE2 3.76Å; R54-E91 PolarHBondContact NH2-OE2 3.18Å; R88-E91 HydrophobicContact CB-CB 4.2Å; R88-E91 HydrophobicContact CB-CG 4.39Å; R88-E91 VanDerWaalsContact CD-OE1 3.29Å; R88-E91 WeakPolarHBondContact CD-OE1 3.35Å; R88-E91 IonicContact CZ-OE1 3.42Å; R88-E91 IonicContact NH1-OE1 2.86Å; R88-E91 PolarHBondContact NH1-OE1 2.64Å; R88-E91 IonicContact NH1-OE2 3.85Å; R88-E91 PolarHBondContact O-N 2.92Å; E91-R95 PolarHBondContact O-NH1 2.88Å
92D90.8Very high90.9Very high0 Ų060.2 Ų60.20%027%0.268CS..SBendtrans-118.918.1-167.1-63.4-57.5000113.1R54 L83 F87 R88 R95 F96R54-D92 IonicContact CZ-OD1 3.07Å; R54-D92 IonicContact CZ-OD2 3.44Å; R54-D92 IonicContact NE-OD1 3.55Å; R54-D92 PolarHBondContact NE-OD1 3.11Å; R54-D92 VanDerWaalsContact NE-OD1 3.07Å; R54-D92 IonicContact NE-OD2 3.35Å; R54-D92 PolarHBondContact NE-OD2 3.37Å; R54-D92 IonicContact NH2-OD1 2.79Å; R54-D92 IonicContact NH2-OD2 3.73Å; R54-D92 PolarHBondContact NH2-OD2 3.17Å; L83-D92 HydrophobicContact CD1-CB 4.28Å; F87-D92 HydrophobicContact CD2-CB 3.77Å; F87-D92 HydrophobicContact CE2-CB 3.74Å; R88-D92 PolarHBondContact N-OD2 3.49Å; R88-D92 WeakPolarHBondContact O-CB 3.43Å; R88-D92 PolarHBondContact O-N 3.08Å; D92-R95 PolarHBondContact O-N 3.49Å; D92-R95 IonicContact OD1-CZ 3.47Å; D92-R95 IonicContact OD1-NE 2.73Å; D92-R95 IonicContact OD1-NH1 3.44Å; D92-R95 PolarHBondContact OD1-NH1 2.85Å; D92-F96 WeakPolarHBondContact O-CB 3.36Å; D92-F96 PolarHBondContact O-N 3.3Å
93N89.7Confident90.9Very high78 Ų7855.9 Ų55.942%0.41725%0.249SC..Hα-helixtrans-58.5-47.8179.263.5-27.2000112.9R95 F96 E97 F144N93-R95 PolarHBondContact O-N 3.23Å; N93-F96 PolarHBondContact O-N 3.37Å; N93-E97 PolarHBondContact O-N 3.22Å; N93-F144 HydrophobicContact CB-CE1 3.93Å; N93-F144 HydrophobicContact CB-CZ 4.09Å
94E90.4Very high90.8Very high126 Ų12656.8 Ų56.859%0.58925%0.254SS*.Hα-helixtrans-65.6-39178.2-68-175.6179.400112.2F96 E97 K98E94-F96 VanDerWaalsContact C-N 3.31Å; E94-F96 PolarHBondContact O-N 3.2Å; E94-E97 PolarHBondContact O-N 2.94Å; E94-K98 WeakPolarHBondContact O-CG 3.34Å; E94-K98 PolarHBondContact O-N 3.07Å
95R92.5Very high90.6Very high48 Ų4859 Ų5918%0.18127%0.272CS..Hα-helixtrans-64.5-39.5176.3-66.8-176.6-176.886.316.3110.9D58 L83 E91 D92 N93 K98 L99D58-R95 IonicContact OD1-CZ 3.54Å; D58-R95 IonicContact OD1-NE 2.83Å; D58-R95 PolarHBondContact OD1-NE 3.07Å; D58-R95 IonicContact OD1-NH2 3.34Å; D58-R95 PolarHBondContact OD1-NH2 2.8Å; D58-R95 IonicContact OD2-CZ 2.77Å; D58-R95 IonicContact OD2-NE 3.45Å; D58-R95 PolarHBondContact OD2-NE 3.45Å; D58-R95 IonicContact OD2-NH2 3.31Å; D58-R95 PolarHBondContact OD2-NH2 3.16Å; L83-R95 HydrophobicContact CD1-CB 4.08Å; L83-R95 HydrophobicContact CD2-CB 4.35Å; E91-R95 PolarHBondContact O-NH1 2.88Å; D92-R95 PolarHBondContact O-N 3.49Å; D92-R95 IonicContact OD1-CZ 3.47Å; D92-R95 IonicContact OD1-NE 2.73Å; D92-R95 IonicContact OD1-NH1 3.44Å; D92-R95 PolarHBondContact OD1-NH1 2.85Å; N93-R95 PolarHBondContact O-N 3.23Å; R95-K98 PolarHBondContact O-N 3.07Å; R95-L99 WeakPolarHBondContact O-CB 3.31Å; R95-L99 PolarHBondContact O-N 3.33Å
96F94.8Very high90.4Very high0 Ų052 Ų520%024%0.242CC..Hα-helixtrans-66.8-42.6176.5-171.3-100000111.9F87 D92 N93 E94 K98 L99 C100 I137 Y140 F144 Y162F87-F96 HydrophobicContact CE2-CB 3.91Å; F87-F96 HydrophobicContact CE2-CD2 4.02Å; F87-F96 HydrophobicContact CE2-CG 4.22Å; F87-F96 HydrophobicContact CZ-CB 4.33Å; F87-F96 HydrophobicContact CZ-CD2 4.2Å; F87-F96 HydrophobicContact CZ-CG 4.31Å; D92-F96 WeakPolarHBondContact O-CB 3.36Å; D92-F96 PolarHBondContact O-N 3.3Å; N93-F96 PolarHBondContact O-N 3.37Å; E94-F96 VanDerWaalsContact C-N 3.31Å; E94-F96 PolarHBondContact O-N 3.2Å; F96-K98 PolarHBondContact O-N 2.72Å; F96-L99 WeakPolarHBondContact O-CB 3.32Å; F96-L99 PolarHBondContact O-N 2.7Å; F96-C100 VanDerWaalsContact CE1-SG 3.54Å; F96-C100 PolarHBondContact O-N 2.86Å; F96-C100 PolarHBondContact O-SG 2.68Å; F96-I137 HydrophobicContact CE2-CG2 4.24Å; F96-I137 HydrophobicContact CZ-CG2 4.1Å; F96-I137 WeakPolarHBondContact CZ-O 3.4Å; F96-Y140 HydrophobicContact CE2-CD2 4.42Å; F96-Y140 HydrophobicContact CE2-CG 4.45Å; F96-F144 HydrophobicContact CB-CE2 4.18Å; F96-F144 AromaticContact CD1-CD2 3.65Å; F96-F144 HydrophobicContact CD1-CD2 3.65Å; F96-F144 AromaticContact CD1-CE2 3.33Å; F96-F144 HydrophobicContact CD1-CE2 3.33Å; F96-F144 HydrophobicContact CD1-CZ 4.35Å; F96-F144 AromaticContact CE1-CD2 3.72Å; F96-F144 HydrophobicContact CE1-CD2 3.72Å; F96-F144 AromaticContact CE1-CE2 3.8Å; F96-F144 HydrophobicContact CE1-CE2 3.8Å; F96-F144 AromaticContact CG-CE2 3.78Å; F96-F144 HydrophobicContact CG-CE2 3.78Å; F96-Y162 AromaticContact CD1-CE1 3.79Å; F96-Y162 HydrophobicContact CD1-CE1 3.79Å; F96-Y162 HydrophobicContact CE1-CD1 4.24Å; F96-Y162 AromaticContact CE1-CE1 3.66Å; F96-Y162 HydrophobicContact CE1-CE1 3.66Å
97E93.3Very high90.2Very high49 Ų4952.3 Ų52.323%0.22924%0.244CC..Hα-helixtrans-56.4-50.6173.4-173.6-166.3157.900111.3N93 E94 L99 C100 R101 L158 L161N93-E97 PolarHBondContact O-N 3.22Å; E94-E97 PolarHBondContact O-N 2.94Å; E97-L99 VanDerWaalsContact C-N 3.27Å; E97-L99 PolarHBondContact O-N 2.96Å; E97-C100 PolarHBondContact O-N 3.06Å; E97-R101 WeakPolarHBondContact O-CG 3.43Å; E97-R101 PolarHBondContact O-N 3.27Å; E97-R101 IonicContact OE1-CZ 2.88Å; E97-R101 IonicContact OE1-NE 2.75Å; E97-R101 PolarHBondContact OE1-NE 2.95Å; E97-R101 IonicContact OE1-NH2 2.94Å; E97-R101 PolarHBondContact OE1-NH2 2.79Å; E97-L158 HydrophobicContact CB-CD2 4.35Å; E97-L158 VanDerWaalsContact CD-CD2 3.42Å; E97-L158 HydrophobicContact CG-CD2 3.59Å; E97-L161 HydrophobicContact CG-CD2 3.63Å
98K91.9Very high89.8Confident93 Ų9356.6 Ų56.640%0.40427%0.268SS..Hα-helixtrans-60.2-37.4177.5-70.9176.5-176.7177.90112.3F61 E94 R95 F96 S102F61-K98 HydrophobicContact CB-CD 3.99Å; F61-K98 HydrophobicContact CD1-CB 3.93Å; F61-K98 HydrophobicContact CD2-CB 4.09Å; F61-K98 HydrophobicContact CD2-CD 4.37Å; F61-K98 HydrophobicContact CE1-CB 4.07Å; F61-K98 HydrophobicContact CE2-CB 4.2Å; F61-K98 HydrophobicContact CG-CB 3.96Å; F61-K98 HydrophobicContact CG-CD 4.19Å; F61-K98 HydrophobicContact CZ-CB 4.22Å; E94-K98 WeakPolarHBondContact O-CG 3.34Å; E94-K98 PolarHBondContact O-N 3.07Å; R95-K98 PolarHBondContact O-N 3.07Å; F96-K98 PolarHBondContact O-N 2.72Å; K98-S102 WeakPolarHBondContact O-CB 3.29Å; K98-S102 PolarHBondContact O-N 3.06Å; K98-S102 PolarHBondContact O-OG 2.92Å
99L93.5Very high89.5Confident0 Ų052.3 Ų52.30%026%0.255CS..Hα-helixtrans-62.8-50.2174.2178.461.4000111.5F61 I76 A80 L83 R95 F96 E97 R101 S102 I103F61-L99 HydrophobicContact CZ-CB 3.86Å; F61-L99 HydrophobicContact CZ-CD1 4.29Å; I76-L99 HydrophobicContact CG2-CD1 4.09Å; A80-L99 HydrophobicContact CB-CD1 3.87Å; A80-L99 HydrophobicContact CB-CD2 3.82Å; A80-L99 HydrophobicContact CB-CG 4.47Å; L83-L99 HydrophobicContact CD2-CB 4.32Å; L83-L99 HydrophobicContact CD2-CD2 3.8Å; R95-L99 WeakPolarHBondContact O-CB 3.31Å; R95-L99 PolarHBondContact O-N 3.33Å; F96-L99 WeakPolarHBondContact O-CB 3.32Å; F96-L99 PolarHBondContact O-N 2.7Å; E97-L99 VanDerWaalsContact C-N 3.27Å; E97-L99 PolarHBondContact O-N 2.96Å; L99-R101 VanDerWaalsContact C-N 3.34Å; L99-R101 PolarHBondContact O-N 2.97Å; L99-S102 PolarHBondContact O-N 3.22Å; L99-I103 HydrophobicContact CD1-CD1 4.02Å; L99-I103 HydrophobicContact CD1-CG1 4.24Å; L99-I103 HydrophobicContact CG-CD1 3.96Å; L99-I103 WeakPolarHBondContact O-CG1 3.4Å; L99-I103 PolarHBondContact O-N 2.77Å
100C94.3Very high89.1Confident0 Ų056.8 Ų56.80%028%0.275CS..Hα-helixtrans-58.8-44.8177.7-72.10000111.8F96 E97 S102 I103 L104 L161 M165F96-C100 VanDerWaalsContact CE1-SG 3.54Å; F96-C100 PolarHBondContact O-N 2.86Å; F96-C100 PolarHBondContact O-SG 2.68Å; E97-C100 PolarHBondContact O-N 3.06Å; C100-S102 VanDerWaalsContact C-N 3.34Å; C100-S102 PolarHBondContact O-N 3.22Å; C100-I103 PolarHBondContact O-N 3.19Å; C100-L104 PolarHBondContact O-N 3.44Å; C100-L161 HydrophobicContact CB-CD1 4.42Å; C100-L161 HydrophobicContact CB-CD2 4.07Å; C100-L161 HydrophobicContact CB-CG 4.2Å; C100-M165 HydrophobicContact CB-CG 3.97Å; C100-M165 HydrophobicContact CB-SD 4.18Å
101R92.8Very high88.3Confident111 Ų11154.7 Ų54.742%0.41927%0.273SS..Hα-helixtrans-60.1-43.1175.4-70.5-178.7-174.8-73.2-2.4112.2E97 L99 L104 S105 L161E97-R101 WeakPolarHBondContact O-CG 3.43Å; E97-R101 PolarHBondContact O-N 3.27Å; E97-R101 IonicContact OE1-CZ 2.88Å; E97-R101 IonicContact OE1-NE 2.75Å; E97-R101 PolarHBondContact OE1-NE 2.95Å; E97-R101 IonicContact OE1-NH2 2.94Å; E97-R101 PolarHBondContact OE1-NH2 2.79Å; L99-R101 VanDerWaalsContact C-N 3.34Å; L99-R101 PolarHBondContact O-N 2.97Å; R101-L104 PolarHBondContact O-N 2.93Å; R101-S105 VanDerWaalsContact O-CB 3.22Å; R101-S105 WeakPolarHBondContact O-CB 3.5Å; R101-S105 PolarHBondContact O-N 3.34Å; R101-L161 HydrophobicContact CG-CD1 3.78Å; R101-L161 HydrophobicContact CG-CD2 3.95Å
102S90.1Very high87.7Confident15 Ų1554.2 Ų54.211%0.10527%0.271CS..Hα-helixtrans-63.9-41.5177.7-62.70000111.9K98 L99 C100 S106K98-S102 WeakPolarHBondContact O-CB 3.29Å; K98-S102 PolarHBondContact O-N 3.06Å; K98-S102 PolarHBondContact O-OG 2.92Å; L99-S102 PolarHBondContact O-N 3.22Å; C100-S102 VanDerWaalsContact C-N 3.34Å; C100-S102 PolarHBondContact O-N 3.22Å; S102-S106 WeakPolarHBondContact O-CB 3.38Å; S102-S106 PolarHBondContact O-N 2.86Å
103I91.7Very high86.7Confident0 Ų057.7 Ų57.70%029%0.294CS..Hα-helixtrans-64-48.8176.2-67.4168.6000110.6I76 L99 C100 S106 M107 Y117 I137 M165 F169I76-I103 HydrophobicContact CG2-CG1 3.68Å; L99-I103 HydrophobicContact CD1-CD1 4.02Å; L99-I103 HydrophobicContact CD1-CG1 4.24Å; L99-I103 HydrophobicContact CG-CD1 3.96Å; L99-I103 WeakPolarHBondContact O-CG1 3.4Å; L99-I103 PolarHBondContact O-N 2.77Å; C100-I103 PolarHBondContact O-N 3.19Å; I103-S106 WeakPolarHBondContact O-CB 3.29Å; I103-S106 PolarHBondContact O-N 2.87Å; I103-S106 PolarHBondContact O-OG 2.95Å; I103-M107 WeakPolarHBondContact O-CG 3.39Å; I103-M107 PolarHBondContact O-N 3.41Å; I103-Y117 HydrophobicContact CD1-CE1 4.5Å; I103-Y117 HydrophobicContact CG1-CD2 4.32Å; I103-Y117 HydrophobicContact CG1-CE2 4.31Å; I103-Y117 HydrophobicContact CG1-CG 4.48Å; I103-Y117 HydrophobicContact CG2-CD1 3.97Å; I103-Y117 HydrophobicContact CG2-CG 3.97Å; I103-I137 HydrophobicContact CD1-CD1 3.95Å; I103-M165 HydrophobicContact CB-CE 4.36Å; I103-M165 HydrophobicContact CB-SD 4.33Å; I103-M165 HydrophobicContact CD1-CE 4.23Å; I103-M165 HydrophobicContact CG2-CE 4.02Å; I103-M165 HydrophobicContact CG2-SD 4.19Å; I103-F169 HydrophobicContact CG2-CE2 3.49Å; I103-F169 VanDerWaalsContact CG2-CE2 3.49Å; I103-F169 HydrophobicContact CG2-CZ 3.45Å; I103-F169 VanDerWaalsContact CG2-CZ 3.45Å
104L91.4Very high86Confident19 Ų1962.7 Ų62.710%0.09931%0.312CS..Hα-helixtrans-65.1-45179.5-69.6177.8000112.3C100 R101 S106 M107 D108 L161 T164 M165 T168C100-L104 PolarHBondContact O-N 3.44Å; R101-L104 PolarHBondContact O-N 2.93Å; L104-S106 PolarHBondContact O-N 3.43Å; L104-M107 WeakPolarHBondContact O-CA 3.47Å; L104-M107 WeakPolarHBondContact O-CB 3.26Å; L104-M107 PolarHBondContact O-N 2.77Å; L104-D108 PolarHBondContact O-N 2.74Å; L104-L161 HydrophobicContact CD1-CD1 3.63Å; L104-T164 HydrophobicContact CD1-CG2 3.82Å; L104-T164 HydrophobicContact CD2-CG2 4.05Å; L104-M165 HydrophobicContact CD1-CG 4.05Å; L104-M165 HydrophobicContact CD1-SD 4.07Å; L104-M165 HydrophobicContact CD2-CG 4.3Å; L104-M165 HydrophobicContact CD2-SD 3.6Å; L104-M165 HydrophobicContact CG-CG 4.13Å; L104-M165 HydrophobicContact CG-SD 3.48Å; L104-M165 WeakPolarHBondContact CG-SD 3.32Å; L104-T168 HydrophobicContact CD2-CG2 4.36Å
105S88.5Confident85.6Confident81 Ų8157.3 Ų57.357%0.56629%0.287SS*.Hα-helixtrans-57.3-37.4175.6176.40000111.6R101 M107 D108 A109R101-S105 VanDerWaalsContact O-CB 3.22Å; R101-S105 WeakPolarHBondContact O-CB 3.5Å; R101-S105 PolarHBondContact O-N 3.34Å; S105-M107 VanDerWaalsContact C-N 3.25Å; S105-M107 PolarHBondContact O-N 3.39Å; S105-D108 PolarHBondContact O-N 3.06Å; S105-A109 PolarHBondContact O-N 2.86Å
106S88.4Confident85.3Confident7 Ų756 Ų565%0.04928%0.283CS..Hα-helixtrans-62.4-31.3173.585.80000112.9S102 I103 L104 Y117S102-S106 WeakPolarHBondContact O-CB 3.38Å; S102-S106 PolarHBondContact O-N 2.86Å; I103-S106 WeakPolarHBondContact O-CB 3.29Å; I103-S106 PolarHBondContact O-N 2.87Å; I103-S106 PolarHBondContact O-OG 2.95Å; L104-S106 PolarHBondContact O-N 3.43Å; S106-Y117 WeakPolarHBondContact OG-CB 3.3Å; S106-Y117 PolarHBondContact OG-N 2.91Å
107M86.1Confident85Confident15 Ų1556 Ų567%0.07428%0.283CS..Hα-helixtrans-77-26.4179.3-64.5-65.6-66.600112.2I103 L104 S105 V118 T168 F169 W175I103-M107 WeakPolarHBondContact O-CG 3.39Å; I103-M107 PolarHBondContact O-N 3.41Å; L104-M107 WeakPolarHBondContact O-CA 3.47Å; L104-M107 WeakPolarHBondContact O-CB 3.26Å; L104-M107 PolarHBondContact O-N 2.77Å; S105-M107 VanDerWaalsContact C-N 3.25Å; S105-M107 PolarHBondContact O-N 3.39Å; M107-V118 HydrophobicContact CE-CB 3.95Å; M107-V118 HydrophobicContact CE-CG1 3.76Å; M107-V118 HydrophobicContact SD-CB 4.03Å; M107-V118 HydrophobicContact SD-CG1 4.01Å; M107-T168 HydrophobicContact CE-CG2 4.06Å; M107-T168 HydrophobicContact CG-CG2 4.26Å; M107-F169 HydrophobicContact CG-CZ 4.22Å; M107-F169 HydrophobicContact SD-CE1 4.39Å; M107-F169 HydrophobicContact SD-CZ 4.24Å; M107-W175 HydrophobicContact CE-CG 4.27Å
108D82.4Confident84.9Confident112 Ų11253.8 Ų53.860%0.59927%0.272SS*.Hα-helixtrans-83.1-18.3179.3-68.8-35.3000113.4L104 S105 E110 K176L104-D108 PolarHBondContact O-N 2.74Å; S105-D108 PolarHBondContact O-N 3.06Å; D108-E110 PolarHBondContact O-N 2.95Å; D108-K176 PolarHBondContact O-NZ 3.34Å
109A81.9Confident84.6Confident18 Ų1850.5 Ų50.515%0.14926%0.261CS..  trans-52.6133.3179.900000113S105 V115 W116S105-A109 PolarHBondContact O-N 2.86Å; A109-V115 HydrophobicContact CB-CG1 4.03Å; A109-W116 PolarHBondContact O-NE1 3.48Å
110E76.7Confident84.4Confident139 Ų13951.1 Ų51.165%0.6526%0.264SS*.SBendtrans-82.5138.5178.8-64.6-170.1163.200112.4D108 E112D108-E110 PolarHBondContact O-N 2.95Å; E110-E112 VanDerWaalsContact C-N 3.33Å; E110-E112 PolarHBondContact O-N 2.92Å; E110-E112 VanDerWaalsContact O-N 3.16Å
111N66.4Low84.1Confident148 Ų14851.3 Ų51.379%0.79127%0.265SS*.SBendtrans57.125.5164.1-62.6-26.5000118.3
112E74.4Confident83.6Confident79 Ų7948.8 Ų48.837%0.36927%0.265SS..  trans-133.589.7176.4-71.2175.6-132.700112.7K70 E110 K114 V115K70-E112 IonicContact NZ-OE1 3.41Å; K70-E112 PolarHBondContact NZ-OE1 3.07Å; E110-E112 VanDerWaalsContact C-N 3.33Å; E110-E112 PolarHBondContact O-N 2.92Å; E110-E112 VanDerWaalsContact O-N 3.16Å; E112-K114 PolarHBondContact O-N 2.96Å; E112-V115 HydrophobicContact CB-CB 4.17Å; E112-V115 HydrophobicContact CB-CG2 3.81Å; E112-V115 PolarHBondContact O-N 2.95Å; E112-V115 VanDerWaalsContact OE2-CG2 3.25Å; E112-V115 WeakPolarHBondContact OE2-CG2 3.36Å
113P69.5Low83.4Confident74 Ų7450 Ų5048%0.48127%0.273SS..THydrogen-bonded Turntrans-59.2-25.4-175.8-24.632.9000115V115 W116 S119P113-V115 VanDerWaalsContact C-N 3.3Å; P113-W116 HydrophobicContact CB-CE3 4.19Å; P113-W116 HydrophobicContact CB-CZ3 4.13Å; P113-W116 HydrophobicContact CG-CZ3 4.25Å; P113-S119 WeakPolarHBondContact O-CB 3.36Å; P113-S119 PolarHBondContact O-OG 3.01Å
114K74.4Confident83Confident183 Ų18359.8 Ų59.880%0.79632%0.315SS*.THydrogen-bonded Turntrans-77.6-13.4179.3-66.2-176.7178.8177.90113.6A73 E112A73-K114 PolarHBondContact N-O 3.34Å; E112-K114 PolarHBondContact O-N 2.96Å
115V81.9Confident82.7Confident12 Ų1265.5 Ų65.57%0.07335%0.346CS..THydrogen-bonded Turntrans-90-32.6179.4175.50000111A109 E112 P113 Y117A109-V115 HydrophobicContact CB-CG1 4.03Å; E112-V115 HydrophobicContact CB-CB 4.17Å; E112-V115 HydrophobicContact CB-CG2 3.81Å; E112-V115 PolarHBondContact O-N 2.95Å; E112-V115 VanDerWaalsContact OE2-CG2 3.25Å; E112-V115 WeakPolarHBondContact OE2-CG2 3.36Å; P113-V115 VanDerWaalsContact C-N 3.3Å; V115-Y117 PolarHBondContact O-N 3.39Å
116W86.9Confident82.8Confident22 Ų2263.3 Ų63.38%0.08333%0.328CS..SBendtrans-60.6123.4-179.8-61.6-20000111.4A109 P113 V118 S119 K176 I177A109-W116 PolarHBondContact O-NE1 3.48Å; P113-W116 HydrophobicContact CB-CE3 4.19Å; P113-W116 HydrophobicContact CB-CZ3 4.13Å; P113-W116 HydrophobicContact CG-CZ3 4.25Å; W116-V118 HydrophobicContact CB-CG1 4.22Å; W116-V118 PolarHBondContact O-N 3.18Å; W116-V118 VanDerWaalsContact O-N 3.09Å; W116-S119 VanDerWaalsContact O-CB 3.23Å; W116-S119 WeakPolarHBondContact O-CB 3.11Å; W116-S119 PolarHBondContact O-N 2.89Å; W116-S119 PolarHBondContact O-OG 3.08Å; W116-K176 HydrophobicContact CH2-CB 3.5Å; W116-K176 HydrophobicContact CZ2-CB 3.41Å; W116-K176 VanDerWaalsContact CZ2-CB 3.41Å; W116-K176 HydrophobicContact CZ2-CD 3.98Å; W116-K176 HydrophobicContact CZ2-CG 4.32Å; W116-K176 HydrophobicContact CZ3-CB 4.13Å; W116-I177 HydrophobicContact CE3-CB 3.57Å; W116-I177 HydrophobicContact CE3-CD1 4.31Å; W116-I177 HydrophobicContact CE3-CG1 3.92Å; W116-I177 HydrophobicContact CZ3-CB 3.69Å; W116-I177 HydrophobicContact CZ3-CG1 3.99Å; W116-I177 VanDerWaalsContact CZ3-N 3.33Å
117Y89.3Confident82.9Confident0 Ų064.4 Ų64.40%033%0.334CS..G310 helixtrans-55.5-33.1-179-162.1-106.6000113.4I76 F77 I103 S106 V115 S119 L120 W130 Q133 I134 F169I76-Y117 HydrophobicContact CB-CD2 4.1Å; I76-Y117 HydrophobicContact CB-CE2 3.94Å; I76-Y117 HydrophobicContact CG2-CD2 3.87Å; I76-Y117 HydrophobicContact CG2-CE2 3.59Å; F77-Y117 HydrophobicContact CB-CE2 4.2Å; I103-Y117 HydrophobicContact CD1-CE1 4.5Å; I103-Y117 HydrophobicContact CG1-CD2 4.32Å; I103-Y117 HydrophobicContact CG1-CE2 4.31Å; I103-Y117 HydrophobicContact CG1-CG 4.48Å; I103-Y117 HydrophobicContact CG2-CD1 3.97Å; I103-Y117 HydrophobicContact CG2-CG 3.97Å; S106-Y117 WeakPolarHBondContact OG-CB 3.3Å; S106-Y117 PolarHBondContact OG-N 2.91Å; V115-Y117 PolarHBondContact O-N 3.39Å; Y117-S119 VanDerWaalsContact C-N 3.25Å; Y117-S119 PolarHBondContact O-N 3.48Å; Y117-L120 HydrophobicContact CD2-CD1 4.41Å; Y117-L120 HydrophobicContact CE2-CD1 4.27Å; Y117-L120 PolarHBondContact O-N 3.09Å; Y117-W130 HydrophobicContact CD1-CZ2 4.45Å; Y117-W130 AromaticContact CD1-NE1 3.3Å; Y117-W130 VanDerWaalsContact CD1-NE1 3.3Å; Y117-W130 AromaticContact CE1-CD1 3.77Å; Y117-W130 AromaticContact CE1-NE1 3.24Å; Y117-W130 PolarHBondContact O-NE1 2.84Å; Y117-W130 VanDerWaalsContact O-NE1 3.16Å; Y117-Q133 PolarHBondContact OH-OE1 2.95Å; Y117-I134 HydrophobicContact CD1-CD1 4.01Å; Y117-I134 HydrophobicContact CE1-CD1 3.6Å; Y117-I134 HydrophobicContact CE1-CG1 4.21Å; Y117-F169 HydrophobicContact CD1-CE1 4.19Å; Y117-F169 HydrophobicContact CD1-CZ 4.02Å
118V89.6Confident83.2Confident2 Ų270.5 Ų70.51%0.01237%0.367CS..G310 helixtrans-68.8-18.9178.773.20000113.9M107 W116 L120 A121 W130 W175 I177M107-V118 HydrophobicContact CE-CB 3.95Å; M107-V118 HydrophobicContact CE-CG1 3.76Å; M107-V118 HydrophobicContact SD-CB 4.03Å; M107-V118 HydrophobicContact SD-CG1 4.01Å; W116-V118 HydrophobicContact CB-CG1 4.22Å; W116-V118 PolarHBondContact O-N 3.18Å; W116-V118 VanDerWaalsContact O-N 3.09Å; V118-L120 PolarHBondContact O-N 2.74Å; V118-L120 VanDerWaalsContact O-N 3.14Å; V118-A121 HydrophobicContact CG2-CB 4.44Å; V118-A121 WeakPolarHBondContact O-CB 3.39Å; V118-A121 PolarHBondContact O-N 3.07Å; V118-W130 HydrophobicContact CB-CZ2 4.49Å; V118-W130 HydrophobicContact CG2-CH2 4.32Å; V118-W130 HydrophobicContact CG2-CZ2 4.23Å; V118-W175 HydrophobicContact CG2-CD2 3.71Å; V118-W175 HydrophobicContact CG2-CE3 3.44Å; V118-W175 VanDerWaalsContact CG2-CE3 3.44Å; V118-W175 HydrophobicContact CG2-CG 4.49Å; V118-W175 HydrophobicContact CG2-CH2 3.76Å; V118-W175 HydrophobicContact CG2-CZ2 4.01Å; V118-W175 HydrophobicContact CG2-CZ3 3.44Å; V118-W175 VanDerWaalsContact CG2-CZ3 3.44Å; V118-I177 HydrophobicContact CG1-CB 4.36Å; V118-I177 HydrophobicContact CG1-CG2 3.82Å
119S87.4Confident83.7Confident24 Ų2468.7 Ų68.717%0.16836%0.357CS..G310 helixtrans-59.9-26.4177.566.90000113.1P113 W116 Y117 A121 C122P113-S119 WeakPolarHBondContact O-CB 3.36Å; P113-S119 PolarHBondContact O-OG 3.01Å; W116-S119 VanDerWaalsContact O-CB 3.23Å; W116-S119 WeakPolarHBondContact O-CB 3.11Å; W116-S119 PolarHBondContact O-N 2.89Å; W116-S119 PolarHBondContact O-OG 3.08Å; Y117-S119 VanDerWaalsContact C-N 3.25Å; Y117-S119 PolarHBondContact O-N 3.48Å; S119-A121 PolarHBondContact O-N 2.94Å; S119-C122 WeakPolarHBondContact O-CB 3.22Å; S119-C122 PolarHBondContact O-N 3.28Å; S119-C122 VanDerWaalsContact O-N 3.11Å
120L88.8Confident84.3Confident13 Ų1367.9 Ų67.97%0.06835%0.349CS..G310 helixtrans-66.5-25.3174.9-60.4174.2000112.5A73 L74 F77 Y117 V118 C122 S123 L126 W130A73-L120 HydrophobicContact CB-CD1 4.11Å; A73-L120 HydrophobicContact CB-CD2 4.3Å; A73-L120 HydrophobicContact CB-CG 3.99Å; L74-L120 HydrophobicContact CD1-CD2 4.38Å; F77-L120 HydrophobicContact CB-CD1 3.54Å; F77-L120 HydrophobicContact CD2-CD1 3.93Å; F77-L120 HydrophobicContact CG-CD1 3.91Å; Y117-L120 HydrophobicContact CD2-CD1 4.41Å; Y117-L120 HydrophobicContact CE2-CD1 4.27Å; Y117-L120 PolarHBondContact O-N 3.09Å; V118-L120 PolarHBondContact O-N 2.74Å; V118-L120 VanDerWaalsContact O-N 3.14Å; L120-C122 PolarHBondContact O-N 3.48Å; L120-S123 WeakPolarHBondContact O-CB 3.22Å; L120-S123 PolarHBondContact O-N 3.3Å; L120-L126 HydrophobicContact CD2-CD1 3.92Å; L120-W130 HydrophobicContact CB-CG 4.2Å
121A86.8Confident85.1Confident3 Ų362.5 Ų62.53%0.02533%0.325CS..G310 helixtrans-67.8-22.3174.100000112.2V118 S119 T127 W130 M189V118-A121 HydrophobicContact CG2-CB 4.44Å; V118-A121 WeakPolarHBondContact O-CB 3.39Å; V118-A121 PolarHBondContact O-N 3.07Å; S119-A121 PolarHBondContact O-N 2.94Å; A121-T127 WeakPolarHBondContact O-CG2 3.36Å; A121-T127 PolarHBondContact O-OG1 2.94Å; A121-W130 HydrophobicContact CB-CD2 4.02Å; A121-W130 HydrophobicContact CB-CE3 3.7Å; A121-W130 HydrophobicContact CB-CH2 4.08Å; A121-W130 HydrophobicContact CB-CZ2 4.34Å; A121-W130 HydrophobicContact CB-CZ3 3.75Å; A121-M189 HydrophobicContact CB-SD 4.35Å
122C84.1Confident86.4Confident59 Ų5962.6 Ų62.640%0.39932%0.318SS..G310 helixtrans-85.9-4.6175.9-58.40000113.4S119 L120S119-C122 WeakPolarHBondContact O-CB 3.22Å; S119-C122 PolarHBondContact O-N 3.28Å; S119-C122 VanDerWaalsContact O-N 3.11Å; L120-C122 PolarHBondContact O-N 3.48Å
123S85.6Confident87.4Confident41 Ų4159.3 Ų59.329%0.28730%0.303SS..  trans-90.6122-178.3172.80000111.8L120 D125 L126 T127L120-S123 WeakPolarHBondContact O-CB 3.22Å; L120-S123 PolarHBondContact O-N 3.3Å; S123-D125 PolarHBondContact O-N 2.91Å; S123-D125 VanDerWaalsContact O-N 3.07Å; S123-L126 PolarHBondContact O-N 2.88Å; S123-T127 PolarHBondContact O-N 2.85Å; S123-T127 PolarHBondContact O-OG1 3.23Å
124K81.9Confident88.7Confident204 Ų20455.8 Ų55.889%0.88728%0.28SS*.THydrogen-bonded Turntrans-50.7-37.1-178.3-69.2-174.4177.8-178.40114
125D86.6Confident89.7Confident139 Ų13948.9 Ų48.974%0.74325%0.25SS*.THydrogen-bonded Turntrans-86.5-24.1-176.3-54.6-41.2000113.3S123S123-D125 PolarHBondContact O-N 2.91Å; S123-D125 VanDerWaalsContact O-N 3.07Å
126L90.3Very high90.3Very high35 Ų3550.5 Ų50.518%0.18326%0.262CS..THydrogen-bonded Turntrans-108.2-17.6-170.4-62.2177.4000113.9L74 F77 L120 S123 L128 L129 W130L74-L126 HydrophobicContact CD1-CD1 3.78Å; F77-L126 HydrophobicContact CE1-CD2 4.11Å; F77-L126 HydrophobicContact CZ-CD2 4.43Å; L120-L126 HydrophobicContact CD2-CD1 3.92Å; S123-L126 PolarHBondContact O-N 2.88Å; L126-L128 PolarHBondContact O-N 3.11Å; L126-L129 HydrophobicContact CD2-CD1 4.36Å; L126-L129 PolarHBondContact O-N 3.45Å; L126-L129 VanDerWaalsContact O-N 3.16Å; L126-W130 VanDerWaalsContact O-CB 3.29Å; L126-W130 WeakPolarHBondContact O-CB 3.25Å; L126-W130 PolarHBondContact O-N 3.38Å
127T90.2Very high90.8Very high30 Ų3049.4 Ų49.418%0.18426%0.258CS..Hα-helixtrans-52.1-51.4-175.5-56.50000112.9A121 S123 L129 W130 I131 I192A121-T127 WeakPolarHBondContact O-CG2 3.36Å; A121-T127 PolarHBondContact O-OG1 2.94Å; S123-T127 PolarHBondContact O-N 2.85Å; S123-T127 PolarHBondContact O-OG1 3.23Å; T127-L129 PolarHBondContact O-N 3.38Å; T127-W130 PolarHBondContact O-N 3.35Å; T127-I131 HydrophobicContact CG2-CD1 3.9Å; T127-I131 HydrophobicContact CG2-CG1 4.46Å; T127-I131 VanDerWaalsContact O-CG1 3.29Å; T127-I131 WeakPolarHBondContact O-CG1 3.36Å; T127-I131 PolarHBondContact O-N 2.83Å; T127-I192 HydrophobicContact CG2-CD1 4.4Å
128L91.8Very high91.1Very high144 Ų14449.4 Ų49.475%0.75426%0.258SS*.Hα-helixtrans-65.1-39.8-177.9-68176.6000112.4L126 K132L126-L128 PolarHBondContact O-N 3.11Å; L128-K132 PolarHBondContact O-N 2.89Å; L128-K132 VanDerWaalsContact O-N 3.1Å
129L92.6Very high91.4Very high74 Ų7452 Ų5239%0.38727%0.267SS..Hα-helixtrans-68.4-38177.8-65.1170000111.3F77 L126 T127 Q133F77-L129 HydrophobicContact CZ-CB 3.9Å; L126-L129 HydrophobicContact CD2-CD1 4.36Å; L126-L129 PolarHBondContact O-N 3.45Å; L126-L129 VanDerWaalsContact O-N 3.16Å; T127-L129 PolarHBondContact O-N 3.38Å; L129-Q133 WeakPolarHBondContact O-CB 3.43Å; L129-Q133 PolarHBondContact O-N 3.18Å
130W95Very high91.8Very high0 Ų054 Ų540%027%0.272CS..Hα-helixtrans-65.9-45.5175.3-178.892.1000111.8F77 Y117 V118 L120 A121 L126 T127 K132 Q133 I134 F169 I192 I196F77-W130 HydrophobicContact CE2-CB 4.21Å; Y117-W130 HydrophobicContact CD1-CZ2 4.45Å; Y117-W130 AromaticContact CD1-NE1 3.3Å; Y117-W130 VanDerWaalsContact CD1-NE1 3.3Å; Y117-W130 AromaticContact CE1-CD1 3.77Å; Y117-W130 AromaticContact CE1-NE1 3.24Å; Y117-W130 PolarHBondContact O-NE1 2.84Å; Y117-W130 VanDerWaalsContact O-NE1 3.16Å; V118-W130 HydrophobicContact CB-CZ2 4.49Å; V118-W130 HydrophobicContact CG2-CH2 4.32Å; V118-W130 HydrophobicContact CG2-CZ2 4.23Å; L120-W130 HydrophobicContact CB-CG 4.2Å; A121-W130 HydrophobicContact CB-CD2 4.02Å; A121-W130 HydrophobicContact CB-CE3 3.7Å; A121-W130 HydrophobicContact CB-CH2 4.08Å; A121-W130 HydrophobicContact CB-CZ2 4.34Å; A121-W130 HydrophobicContact CB-CZ3 3.75Å; L126-W130 VanDerWaalsContact O-CB 3.29Å; L126-W130 WeakPolarHBondContact O-CB 3.25Å; L126-W130 PolarHBondContact O-N 3.38Å; T127-W130 PolarHBondContact O-N 3.35Å; W130-K132 VanDerWaalsContact C-N 3.34Å; W130-K132 PolarHBondContact O-N 3.43Å; W130-Q133 PolarHBondContact O-N 3.47Å; W130-Q133 VanDerWaalsContact O-N 3.17Å; W130-I134 HydrophobicContact CD2-CG1 3.9Å; W130-I134 HydrophobicContact CE3-CG1 4.23Å; W130-I134 HydrophobicContact CH2-CG1 3.97Å; W130-I134 HydrophobicContact CZ2-CD1 4.15Å; W130-I134 HydrophobicContact CZ2-CG1 3.62Å; W130-I134 HydrophobicContact CZ3-CG1 4.26Å; W130-I134 WeakPolarHBondContact O-CB 3.37Å; W130-I134 PolarHBondContact O-N 3.42Å; W130-F169 HydrophobicContact CH2-CD1 4.12Å; W130-F169 HydrophobicContact CH2-CE1 4.45Å; W130-F169 AromaticContact CZ2-CD1 3.93Å; W130-F169 HydrophobicContact CZ2-CD1 3.93Å; W130-F169 AromaticContact CZ2-CE1 3.83Å; W130-F169 HydrophobicContact CZ2-CE1 3.83Å; W130-I192 HydrophobicContact CZ3-CG2 4.14Å; W130-I196 HydrophobicContact CZ3-CD1 4.43Å
131I93.7Very high92.2Very high26 Ų2653.4 Ų53.413%0.13327%0.269CS..Hα-helixtrans-58.4-47.9175.8-68.5169000110.2T127 Q133 I134 K135 I192T127-I131 HydrophobicContact CG2-CD1 3.9Å; T127-I131 HydrophobicContact CG2-CG1 4.46Å; T127-I131 VanDerWaalsContact O-CG1 3.29Å; T127-I131 WeakPolarHBondContact O-CG1 3.36Å; T127-I131 PolarHBondContact O-N 2.83Å; I131-Q133 VanDerWaalsContact C-N 3.29Å; I131-Q133 PolarHBondContact O-N 3.39Å; I131-I134 PolarHBondContact O-N 3.35Å; I131-K135 HydrophobicContact CG2-CD 4.15Å; I131-K135 WeakPolarHBondContact O-CB 3.4Å; I131-K135 WeakPolarHBondContact O-CG 3.1Å; I131-K135 PolarHBondContact O-N 3.45Å; I131-I192 HydrophobicContact CD1-CD1 4.27Å; I131-I192 HydrophobicContact CD1-CG1 4.17Å; I131-I192 HydrophobicContact CD1-CG2 4.12Å; I131-I192 HydrophobicContact CG1-CG2 3.96Å
132K94.1Very high92.6Very high151 Ų15153.2 Ų53.266%0.65727%0.267SS*.Hα-helixtrans-59.1-43177.7-174.5175.6-178.6175.30111.5L128 W130 S136L128-K132 PolarHBondContact O-N 2.89Å; L128-K132 VanDerWaalsContact O-N 3.1Å; W130-K132 VanDerWaalsContact C-N 3.34Å; W130-K132 PolarHBondContact O-N 3.43Å; K132-S136 PolarHBondContact O-N 3.17Å; K132-S136 PolarHBondContact O-OG 3.5Å
133Q95.5Very high93.1Very high10 Ų1052.8 Ų52.85%0.04726%0.261CS..Hα-helixtrans-67.5-46.2-179.6-168.8-177.544.800112.7F77 L84 Y117 L129 W130 I131 K135 S136 I137F77-Q133 PolarHBondContact O-NE2 2.93Å; F77-Q133 VanDerWaalsContact O-NE2 3.09Å; L84-Q133 HydrophobicContact CD1-CG 3.46Å; L84-Q133 VanDerWaalsContact CD1-CG 3.46Å; Y117-Q133 PolarHBondContact OH-OE1 2.95Å; L129-Q133 WeakPolarHBondContact O-CB 3.43Å; L129-Q133 PolarHBondContact O-N 3.18Å; W130-Q133 PolarHBondContact O-N 3.47Å; W130-Q133 VanDerWaalsContact O-N 3.17Å; I131-Q133 VanDerWaalsContact C-N 3.29Å; I131-Q133 PolarHBondContact O-N 3.39Å; Q133-K135 VanDerWaalsContact C-N 3.32Å; Q133-K135 PolarHBondContact O-N 3.17Å; Q133-S136 PolarHBondContact O-N 3Å; Q133-I137 HydrophobicContact CG-CD1 3.93Å; Q133-I137 HydrophobicContact CG-CG1 4.47Å; Q133-I137 WeakPolarHBondContact O-CG1 3.44Å; Q133-I137 PolarHBondContact O-N 2.62Å
134I95.8Very high93.5Very high0 Ų051.4 Ų51.40%025%0.25CC..Hα-helixtrans-61-42.9176.8-76.2-64.2000110.6Y117 W130 I131 S136 I137 L138 F169 I196Y117-I134 HydrophobicContact CD1-CD1 4.01Å; Y117-I134 HydrophobicContact CE1-CD1 3.6Å; Y117-I134 HydrophobicContact CE1-CG1 4.21Å; W130-I134 HydrophobicContact CD2-CG1 3.9Å; W130-I134 HydrophobicContact CE3-CG1 4.23Å; W130-I134 HydrophobicContact CH2-CG1 3.97Å; W130-I134 HydrophobicContact CZ2-CD1 4.15Å; W130-I134 HydrophobicContact CZ2-CG1 3.62Å; W130-I134 HydrophobicContact CZ3-CG1 4.26Å; W130-I134 WeakPolarHBondContact O-CB 3.37Å; W130-I134 PolarHBondContact O-N 3.42Å; I131-I134 PolarHBondContact O-N 3.35Å; I134-S136 VanDerWaalsContact C-N 3.3Å; I134-S136 PolarHBondContact O-N 2.94Å; I134-I137 PolarHBondContact O-N 3.49Å; I134-L138 HydrophobicContact CG2-CD1 3.7Å; I134-L138 HydrophobicContact CG2-CG 4.01Å; I134-L138 WeakPolarHBondContact O-CB 3.38Å; I134-L138 VanDerWaalsContact O-CG 3.29Å; I134-L138 WeakPolarHBondContact O-CG 3.44Å; I134-L138 PolarHBondContact O-N 3.42Å; I134-F169 HydrophobicContact CD1-CD1 4Å; I134-F169 HydrophobicContact CD1-CD2 4.33Å; I134-F169 HydrophobicContact CD1-CE1 4.04Å; I134-F169 HydrophobicContact CD1-CE2 4.36Å; I134-F169 HydrophobicContact CD1-CG 4.16Å; I134-F169 HydrophobicContact CD1-CZ 4.22Å; I134-F169 HydrophobicContact CG2-CB 4.17Å; I134-F169 HydrophobicContact CG2-CG 4.44Å; I134-I196 HydrophobicContact CG2-CD1 3.78Å; I134-I196 HydrophobicContact CG2-CG1 4.45Å; I134-I196 HydrophobicContact CG2-CG2 4.43Å
135K95.8Very high94.1Very high37 Ų3741.7 Ų41.716%0.16121%0.208CC..Hα-helixtrans-54.6-45.9173.7-78.2177.1173.3-170.40112.2I131 Q133 W139 N195 I196 H199I131-K135 HydrophobicContact CG2-CD 4.15Å; I131-K135 WeakPolarHBondContact O-CB 3.4Å; I131-K135 WeakPolarHBondContact O-CG 3.1Å; I131-K135 PolarHBondContact O-N 3.45Å; Q133-K135 VanDerWaalsContact C-N 3.32Å; Q133-K135 PolarHBondContact O-N 3.17Å; K135-W139 VanDerWaalsContact O-CB 3.32Å; K135-W139 WeakPolarHBondContact O-CB 3.3Å; K135-W139 PolarHBondContact O-N 2.89Å; K135-N195 WeakPolarHBondContact CE-OD1 3.45Å; K135-N195 PolarHBondContact NZ-OD1 2.84Å; K135-I196 HydrophobicContact CG-CG1 4.27Å; K135-H199 HydrophobicContact CD-CB 3.95Å; K135-H199 HydrophobicContact CG-CB 4.25Å
136S95.3Very high94.4Very high46 Ų4637.9 Ų37.932%0.32218%0.184SC..Hα-helixtrans-66.1-45.5176.8-60.70000112.6K132 Q133 I134 W139 Y140K132-S136 PolarHBondContact O-N 3.17Å; K132-S136 PolarHBondContact O-OG 3.5Å; Q133-S136 PolarHBondContact O-N 3Å; I134-S136 VanDerWaalsContact C-N 3.3Å; I134-S136 PolarHBondContact O-N 2.94Å; S136-W139 PolarHBondContact O-N 3.13Å; S136-Y140 WeakPolarHBondContact O-CD2 3.4Å; S136-Y140 PolarHBondContact O-N 3.1Å
137I96.2Very high94.4Very high0 Ų041.4 Ų41.40%020%0.2CC..Hα-helixtrans-60.9-50.3179.3-68.3169.9000110.4A80 L84 F96 I103 Q133 I134 W139 Y140 C141 M165A80-I137 HydrophobicContact CB-CD1 4.37Å; L84-I137 HydrophobicContact CD1-CD1 4.39Å; L84-I137 HydrophobicContact CD1-CG1 3.98Å; L84-I137 HydrophobicContact CD2-CG1 4.27Å; F96-I137 HydrophobicContact CE2-CG2 4.24Å; F96-I137 HydrophobicContact CZ-CG2 4.1Å; F96-I137 WeakPolarHBondContact CZ-O 3.4Å; I103-I137 HydrophobicContact CD1-CD1 3.95Å; Q133-I137 HydrophobicContact CG-CD1 3.93Å; Q133-I137 HydrophobicContact CG-CG1 4.47Å; Q133-I137 WeakPolarHBondContact O-CG1 3.44Å; Q133-I137 PolarHBondContact O-N 2.62Å; I134-I137 PolarHBondContact O-N 3.49Å; I137-W139 VanDerWaalsContact C-N 3.29Å; I137-W139 PolarHBondContact O-N 3.13Å; I137-Y140 PolarHBondContact O-N 3.44Å; I137-Y140 VanDerWaalsContact O-N 3.15Å; I137-C141 PolarHBondContact O-N 2.93Å; I137-C141 PolarHBondContact O-SG 3.43Å; I137-C141 VanDerWaalsContact O-SG 3.38Å; I137-M165 HydrophobicContact CG2-CE 3.83Å
138L96.7Very high94.5Very high0 Ų040.7 Ų40.70%020%0.195CC..Hα-helixtrans-64.4-34.8180-65.2-176.9000112.2I134 C141 C142 M165 L166 F169 T170 I196 L200I134-L138 HydrophobicContact CG2-CD1 3.7Å; I134-L138 HydrophobicContact CG2-CG 4.01Å; I134-L138 WeakPolarHBondContact O-CB 3.38Å; I134-L138 VanDerWaalsContact O-CG 3.29Å; I134-L138 WeakPolarHBondContact O-CG 3.44Å; I134-L138 PolarHBondContact O-N 3.42Å; L138-C141 VanDerWaalsContact O-CB 3.32Å; L138-C141 WeakPolarHBondContact O-CB 3.34Å; L138-C141 PolarHBondContact O-N 2.7Å; L138-C142 PolarHBondContact O-N 2.95Å; L138-C142 PolarHBondContact O-SG 2.68Å; L138-M165 HydrophobicContact CD2-CB 4.18Å; L138-M165 HydrophobicContact CD2-CE 4.44Å; L138-L166 HydrophobicContact CB-CD2 3.96Å; L138-L166 HydrophobicContact CD2-CD2 4.12Å; L138-L166 HydrophobicContact CG-CD2 4.42Å; L138-F169 HydrophobicContact CD1-CB 3.87Å; L138-F169 HydrophobicContact CD2-CB 4.29Å; L138-F169 HydrophobicContact CD2-CD2 4.44Å; L138-T170 HydrophobicContact CD1-CG2 4.42Å; L138-I196 HydrophobicContact CD1-CG2 3.54Å; L138-L200 HydrophobicContact CB-CD1 4.33Å; L138-L200 HydrophobicContact CB-CD2 4.04Å; L138-L200 HydrophobicContact CD1-CD1 4.37Å
139W96.2Very high94.5Very high56 Ų5639.2 Ų39.221%0.21218%0.182CC..Hα-helixtrans-66-40.1173.3-176.7-110.5000112.4K135 S136 I137 C141 C142 D143 L200 H203 V208K135-W139 VanDerWaalsContact O-CB 3.32Å; K135-W139 WeakPolarHBondContact O-CB 3.3Å; K135-W139 PolarHBondContact O-N 2.89Å; S136-W139 PolarHBondContact O-N 3.13Å; I137-W139 VanDerWaalsContact C-N 3.29Å; I137-W139 PolarHBondContact O-N 3.13Å; W139-C141 VanDerWaalsContact C-N 3.33Å; W139-C141 PolarHBondContact O-N 3.07Å; W139-C142 HydrophobicContact CE3-CB 4.05Å; W139-C142 HydrophobicContact CZ3-CB 4.17Å; W139-C142 WeakPolarHBondContact O-CA 3.19Å; W139-C142 VanDerWaalsContact O-CB 3.29Å; W139-C142 WeakPolarHBondContact O-CB 3.32Å; W139-C142 PolarHBondContact O-N 3.29Å; W139-C142 VanDerWaalsContact O-N 3.11Å; W139-D143 PolarHBondContact O-N 2.95Å; W139-L200 HydrophobicContact CB-CD2 4.38Å; W139-L200 HydrophobicContact CE3-CD2 4.19Å; W139-H203 HydrophobicContact CD2-CB 4.05Å; W139-H203 HydrophobicContact CE3-CB 3.72Å; W139-H203 HydrophobicContact CH2-CB 3.74Å; W139-H203 WeakPolarHBondContact CH2-O 3.25Å; W139-H203 HydrophobicContact CZ2-CB 4.01Å; W139-H203 HydrophobicContact CZ3-CB 3.55Å; W139-V208 HydrophobicContact CH2-CG2 4.41Å; W139-V208 HydrophobicContact CZ3-CG2 4.46Å
140Y95.3Very high94.4Very high66 Ų6635.9 Ų35.926%0.25917%0.165SC..Hα-helixtrans-64.1-37.1172.3-72.9-56.1000112.3L84 F87 F96 S136 I137 C142 D143 F144L84-Y140 HydrophobicContact CD2-CD2 3.7Å; L84-Y140 HydrophobicContact CD2-CE2 3.52Å; F87-Y140 AromaticContact CD1-CD1 3.94Å; F87-Y140 HydrophobicContact CD1-CD1 3.94Å; F87-Y140 HydrophobicContact CD1-CD2 4.26Å; F87-Y140 AromaticContact CD1-CE1 3.5Å; F87-Y140 HydrophobicContact CD1-CE1 3.5Å; F87-Y140 AromaticContact CD1-CE2 3.87Å; F87-Y140 HydrophobicContact CD1-CE2 3.87Å; F87-Y140 HydrophobicContact CD1-CG 4.3Å; F87-Y140 AromaticContact CD1-CZ 3.45Å; F87-Y140 VanDerWaalsContact CD1-CZ 3.45Å; F87-Y140 AromaticContact CE1-CD1 3.46Å; F87-Y140 HydrophobicContact CE1-CD1 3.46Å; F87-Y140 VanDerWaalsContact CE1-CD1 3.46Å; F87-Y140 HydrophobicContact CE1-CD2 4.23Å; F87-Y140 AromaticContact CE1-CE1 3.49Å; F87-Y140 HydrophobicContact CE1-CE1 3.49Å; F87-Y140 VanDerWaalsContact CE1-CE1 3.49Å; F87-Y140 HydrophobicContact CE1-CE2 4.26Å; F87-Y140 AromaticContact CE1-CG 3.85Å; F87-Y140 HydrophobicContact CE1-CG 3.85Å; F87-Y140 AromaticContact CE1-CZ 3.9Å; F87-Y140 HydrophobicContact CZ-CD1 4.41Å; F96-Y140 HydrophobicContact CE2-CD2 4.42Å; F96-Y140 HydrophobicContact CE2-CG 4.45Å; S136-Y140 WeakPolarHBondContact O-CD2 3.4Å; S136-Y140 PolarHBondContact O-N 3.1Å; I137-Y140 PolarHBondContact O-N 3.44Å; I137-Y140 VanDerWaalsContact O-N 3.15Å; Y140-C142 VanDerWaalsContact C-N 3.27Å; Y140-C142 PolarHBondContact O-N 2.97Å; Y140-D143 PolarHBondContact O-N 2.94Å; Y140-F144 WeakPolarHBondContact O-CD2 3.48Å; Y140-F144 PolarHBondContact O-N 3.37Å
141C96.3Very high94.1Very high0 Ų041.5 Ų41.50%019%0.191CC..Hα-helixtrans-55.2-45.2169.6-65.80000110.9I137 L138 W139 F144 L145 Y162I137-C141 PolarHBondContact O-N 2.93Å; I137-C141 PolarHBondContact O-SG 3.43Å; I137-C141 VanDerWaalsContact O-SG 3.38Å; L138-C141 VanDerWaalsContact O-CB 3.32Å; L138-C141 WeakPolarHBondContact O-CB 3.34Å; L138-C141 PolarHBondContact O-N 2.7Å; W139-C141 VanDerWaalsContact C-N 3.33Å; W139-C141 PolarHBondContact O-N 3.07Å; C141-F144 PolarHBondContact O-N 3.44Å; C141-L145 VanDerWaalsContact O-CG 3.25Å; C141-L145 WeakPolarHBondContact O-CG 3.28Å; C141-L145 PolarHBondContact O-N 2.84Å; C141-Y162 HydrophobicContact CB-CD1 4.2Å; C141-Y162 HydrophobicContact CB-CG 4.26Å
142C95.9Very high94Very high0 Ų044 Ų440%020%0.204CC..Hα-helixtrans-62.7-41.5176.2-67.50000113.2L138 W139 Y140 L145 K146 F205 V208L138-C142 PolarHBondContact O-N 2.95Å; L138-C142 PolarHBondContact O-SG 2.68Å; W139-C142 HydrophobicContact CE3-CB 4.05Å; W139-C142 HydrophobicContact CZ3-CB 4.17Å; W139-C142 WeakPolarHBondContact O-CA 3.19Å; W139-C142 VanDerWaalsContact O-CB 3.29Å; W139-C142 WeakPolarHBondContact O-CB 3.32Å; W139-C142 PolarHBondContact O-N 3.29Å; W139-C142 VanDerWaalsContact O-N 3.11Å; Y140-C142 VanDerWaalsContact C-N 3.27Å; Y140-C142 PolarHBondContact O-N 2.97Å; C142-L145 PolarHBondContact O-N 3.2Å; C142-K146 PolarHBondContact O-N 3.47Å; C142-F205 VanDerWaalsContact SG-CD2 3.6Å; C142-V208 HydrophobicContact CB-CB 4.43Å; C142-V208 HydrophobicContact CB-CG1 3.98Å; C142-V208 HydrophobicContact CB-CG2 3.86Å; C142-V208 WeakPolarHBondContact O-CG1 3.4Å
143D93.7Very high93.8Very high49 Ų4942.6 Ų42.626%0.26220%0.204SC..Hα-helixtrans-67.4-37.4179-160.245.3000112I89 W139 Y140 K146I89-D143 HydrophobicContact CD1-CB 4.27Å; I89-D143 WeakPolarHBondContact CD1-OD2 2.96Å; W139-D143 PolarHBondContact O-N 2.95Å; Y140-D143 PolarHBondContact O-N 2.94Å; D143-K146 PolarHBondContact O-N 3.34Å
144F94.3Very high93.5Very high13 Ų1349.1 Ų49.16%0.05723%0.234CC..Hα-helixtrans-65.4-43.2170.2-78-63.5000112F87 I89 N93 F96 Y140 C141 K146 Q147 L148 Y162F87-F144 AromaticContact CZ-CE2 3.87Å; F87-F144 HydrophobicContact CZ-CE2 3.87Å; F87-F144 AromaticContact CZ-CZ 3.93Å; F87-F144 HydrophobicContact CZ-CZ 3.93Å; I89-F144 HydrophobicContact CD1-CD1 4.32Å; I89-F144 HydrophobicContact CD1-CE1 4.1Å; I89-F144 HydrophobicContact CD1-CZ 4.24Å; I89-F144 HydrophobicContact CG1-CD1 4.2Å; I89-F144 HydrophobicContact CG1-CE1 3.5Å; I89-F144 VanDerWaalsContact CG1-CE1 3.5Å; I89-F144 HydrophobicContact CG1-CE2 4.24Å; I89-F144 HydrophobicContact CG1-CZ 3.52Å; N93-F144 HydrophobicContact CB-CE1 3.93Å; N93-F144 HydrophobicContact CB-CZ 4.09Å; F96-F144 HydrophobicContact CB-CE2 4.18Å; F96-F144 AromaticContact CD1-CD2 3.65Å; F96-F144 HydrophobicContact CD1-CD2 3.65Å; F96-F144 AromaticContact CD1-CE2 3.33Å; F96-F144 HydrophobicContact CD1-CE2 3.33Å; F96-F144 HydrophobicContact CD1-CZ 4.35Å; F96-F144 AromaticContact CE1-CD2 3.72Å; F96-F144 HydrophobicContact CE1-CD2 3.72Å; F96-F144 AromaticContact CE1-CE2 3.8Å; F96-F144 HydrophobicContact CE1-CE2 3.8Å; F96-F144 AromaticContact CG-CE2 3.78Å; F96-F144 HydrophobicContact CG-CE2 3.78Å; Y140-F144 WeakPolarHBondContact O-CD2 3.48Å; Y140-F144 PolarHBondContact O-N 3.37Å; C141-F144 PolarHBondContact O-N 3.44Å; F144-K146 PolarHBondContact O-N 2.97Å; F144-Q147 PolarHBondContact O-N 3.04Å; F144-L148 WeakPolarHBondContact O-CG 3.2Å; F144-L148 PolarHBondContact O-N 3.06Å; F144-Y162 HydrophobicContact CB-CD2 3.92Å; F144-Y162 HydrophobicContact CB-CE2 3.55Å; F144-Y162 HydrophobicContact CD2-CE2 4.39Å; F144-Y162 HydrophobicContact CG-CE2 4.04Å
145L95.1Very high93.4Very high0 Ų050.5 Ų50.50%024%0.241CC..Hα-helixtrans-56.3-33.8177.4-75.3171.5000112.7C141 C142 Q147 I159 L163 L166 V208 L212C141-L145 VanDerWaalsContact O-CG 3.25Å; C141-L145 WeakPolarHBondContact O-CG 3.28Å; C141-L145 PolarHBondContact O-N 2.84Å; C142-L145 PolarHBondContact O-N 3.2Å; L145-Q147 PolarHBondContact O-N 3.18Å; L145-I159 HydrophobicContact CD2-CB 4.12Å; L145-I159 HydrophobicContact CD2-CG1 4.06Å; L145-I159 HydrophobicContact CD2-CG2 3.92Å; L145-L163 HydrophobicContact CD1-CD2 3.85Å; L145-L163 HydrophobicContact CD1-CG 4.39Å; L145-L163 HydrophobicContact CD2-CG 4.34Å; L145-L166 HydrophobicContact CD1-CD1 3.73Å; L145-V208 HydrophobicContact CB-CG1 3.9Å; L145-L212 HydrophobicContact CD2-CD2 4.19Å
146K92.1Very high93.3Very high58 Ų5850.1 Ų50.125%0.25224%0.243SC..THydrogen-bonded Turntrans-64.4-23.4173.8-79.8175.3165.4165.60114C142 D143 F144 V208 R215C142-K146 PolarHBondContact O-N 3.47Å; D143-K146 PolarHBondContact O-N 3.34Å; F144-K146 PolarHBondContact O-N 2.97Å; K146-V208 HydrophobicContact CD-CG2 3.95Å; K146-V208 HydrophobicContact CG-CB 4.22Å; K146-V208 HydrophobicContact CG-CG1 4.12Å; K146-V208 HydrophobicContact CG-CG2 4.02Å; K146-R215 VanDerWaalsContact O-CZ 3.24Å; K146-R215 PolarHBondContact O-NH1 2.84Å; K146-R215 PolarHBondContact O-NH2 3.03Å
147Q91.4Very high93.2Very high109 Ų10955.6 Ų55.651%0.50926%0.257SS..THydrogen-bonded Turntrans-98.1-26-174.6-61.9177.229.100112.6F144 L145 R215F144-Q147 PolarHBondContact O-N 3.04Å; L145-Q147 PolarHBondContact O-N 3.18Å; Q147-R215 PolarHBondContact O-NH1 3.13Å
148L92.6Very high93.1Very high15 Ų1557 Ų578%0.07926%0.264CS..  trans-73.7150.7-175.8-64.3169.7000113.1F144 D155 L158 I159 Y162 R215F144-L148 WeakPolarHBondContact O-CG 3.2Å; F144-L148 PolarHBondContact O-N 3.06Å; L148-D155 HydrophobicContact CB-CB 4.17Å; L148-D155 HydrophobicContact CD2-CB 3.93Å; L148-L158 HydrophobicContact CD1-CB 3.77Å; L148-L158 HydrophobicContact CD2-CB 4.24Å; L148-L158 HydrophobicContact CD2-CD1 3.91Å; L148-I159 HydrophobicContact CB-CD1 4Å; L148-I159 HydrophobicContact CB-CG1 3.76Å; L148-I159 HydrophobicContact CD1-CG1 3.74Å; L148-I159 HydrophobicContact CG-CG1 4.4Å; L148-Y162 HydrophobicContact CD1-CD2 3.77Å; L148-Y162 HydrophobicContact CD1-CE2 3.85Å; L148-R215 PolarHBondContact O-NH1 2.99Å
149K91.3Very high93.1Very high113 Ų11357 Ų5749%0.49126%0.264SS..  trans-115.1116.3176.9-65.4-175.9-179.8-176.60110.4E151 I152 D155K149-E151 PolarHBondContact O-N 2.75Å; K149-I152 HydrophobicContact CB-CD1 4.1Å; K149-I152 HydrophobicContact CB-CG1 4.28Å; K149-I152 HydrophobicContact CD-CD1 4.23Å; K149-I152 PolarHBondContact O-N 3.38Å; K149-I152 VanDerWaalsContact O-N 3.09Å; K149-D155 PolarHBondContact N-OD2 3.01Å; K149-D155 WeakPolarHBondContact O-CB 3.25Å
150P90.6Very high93Very high5 Ų557 Ų573%0.03227%0.27CS..THydrogen-bonded Turntrans-56.7-24.1-177.1-26.434.6000115.5I152 I159 L212 R215 C223 L224P150-I152 VanDerWaalsContact C-N 3.3Å; P150-I152 PolarHBondContact O-N 2.86Å; P150-I159 HydrophobicContact CB-CD1 4.19Å; P150-I159 HydrophobicContact CG-CD1 3.93Å; P150-L212 HydrophobicContact CG-CD1 4.27Å; P150-R215 HydrophobicContact CG-CB 4.3Å; P150-C223 HydrophobicContact CB-CB 3.99Å; P150-L224 HydrophobicContact CB-CD2 3.88Å; P150-L224 HydrophobicContact CG-CD2 3.89Å
151E87.8Confident93.1Very high117 Ų11754.5 Ų54.555%0.54726%0.262SS..THydrogen-bonded Turntrans-69.9-26.5-178.3-54.8172.8-121.900112.9K149 R219 C223K149-E151 PolarHBondContact O-N 2.75Å; E151-R219 VanDerWaalsContact CG-NH1 3.35Å; E151-R219 IonicContact OE1-CZ 3.21Å; E151-R219 IonicContact OE1-NH1 2.79Å; E151-R219 IonicContact OE1-NH2 2.95Å; E151-R219 PolarHBondContact OE1-NH2 2.83Å; E151-R219 IonicContact OE2-CZ 3.81Å; E151-R219 IonicContact OE2-NH1 3.44Å; E151-R219 PolarHBondContact OE2-NH1 2.63Å; E151-R219 IonicContact OE2-NH2 2.69Å; E151-C223 HydrophobicContact CG-CB 4.42Å
152I92Very high93.1Very high78 Ų7854.7 Ų54.740%0.426%0.262SS..SBendtrans-87.5123.9-179.1-59.1175.5000107.8K149 P150 Q154 D155 S156K149-I152 HydrophobicContact CB-CD1 4.1Å; K149-I152 HydrophobicContact CB-CG1 4.28Å; K149-I152 HydrophobicContact CD-CD1 4.23Å; K149-I152 PolarHBondContact O-N 3.38Å; K149-I152 VanDerWaalsContact O-N 3.09Å; P150-I152 VanDerWaalsContact C-N 3.3Å; P150-I152 PolarHBondContact O-N 2.86Å; I152-Q154 VanDerWaalsContact C-N 3.28Å; I152-Q154 HydrophobicContact CG2-CB 4.36Å; I152-Q154 PolarHBondContact O-N 3.5Å; I152-D155 HydrophobicContact CB-CB 3.99Å; I152-D155 HydrophobicContact CG2-CB 4.38Å; I152-D155 PolarHBondContact O-N 3.33Å; I152-D155 VanDerWaalsContact O-N 3.12Å; I152-S156 PolarHBondContact O-N 3.08Å
153L89.6Confident93.1Very high123 Ų12354.7 Ų54.764%0.64426%0.263SS*.Hα-helixtrans-56-40.7-176.2-169.484.3000112.9S156 R157L153-S156 PolarHBondContact O-N 3.27Å; L153-R157 WeakPolarHBondContact O-CG 3.07Å; L153-R157 PolarHBondContact O-N 3.23Å
154Q90.4Very high93.2Very high146 Ų14655.1 Ų55.168%0.68227%0.267SS*.Hα-helixtrans-64.5-48.3177.5-68.6-179.6-7.500111.2I152 S156 R157 L158I152-Q154 VanDerWaalsContact C-N 3.28Å; I152-Q154 HydrophobicContact CG2-CB 4.36Å; I152-Q154 PolarHBondContact O-N 3.5Å; Q154-S156 VanDerWaalsContact C-N 3.31Å; Q154-S156 PolarHBondContact O-N 2.88Å; Q154-R157 WeakPolarHBondContact O-CB 3.48Å; Q154-R157 PolarHBondContact O-N 3.47Å; Q154-L158 PolarHBondContact O-N 3.4Å; Q154-L158 VanDerWaalsContact O-N 3.13Å
155D93.3Very high93.3Very high29 Ų2954.5 Ų54.516%0.15526%0.264CS..Hα-helixtrans-61.7-38.7176.3-73.311.8000111.9L148 K149 I152 R157 L158 I159L148-D155 HydrophobicContact CB-CB 4.17Å; L148-D155 HydrophobicContact CD2-CB 3.93Å; K149-D155 PolarHBondContact N-OD2 3.01Å; K149-D155 WeakPolarHBondContact O-CB 3.25Å; I152-D155 HydrophobicContact CB-CB 3.99Å; I152-D155 HydrophobicContact CG2-CB 4.38Å; I152-D155 PolarHBondContact O-N 3.33Å; I152-D155 VanDerWaalsContact O-N 3.12Å; D155-R157 VanDerWaalsContact C-N 3.3Å; D155-R157 PolarHBondContact O-N 3.47Å; D155-L158 CarbonylContact O-C 3.55Å; D155-L158 WeakPolarHBondContact O-CB 3.17Å; D155-L158 PolarHBondContact O-N 3.39Å; D155-L158 VanDerWaalsContact O-N 3.08Å; D155-I159 WeakPolarHBondContact O-CB 3.29Å; D155-I159 VanDerWaalsContact O-CG1 3.23Å; D155-I159 WeakPolarHBondContact O-CG1 3.43Å; D155-I159 PolarHBondContact O-N 3.41Å
156S93.1Very high93.3Very high30 Ų3054.5 Ų54.521%0.2126%0.264CS..Hα-helixtrans-60.6-38.3176.7-174.30000112.5I152 L153 Q154 T160I152-S156 PolarHBondContact O-N 3.08Å; L153-S156 PolarHBondContact O-N 3.27Å; Q154-S156 VanDerWaalsContact C-N 3.31Å; Q154-S156 PolarHBondContact O-N 2.88Å; S156-T160 PolarHBondContact O-N 2.86Å; S156-T160 PolarHBondContact O-OG1 3.47Å
157R93.3Very high93.5Very high160 Ų16053.4 Ų53.460%0.60426%0.262SS*.Hα-helixtrans-65.5-40.9172.3-67.5174.3-178.7-177.20.5111.6L153 Q154 D155 T160 L161L153-R157 WeakPolarHBondContact O-CG 3.07Å; L153-R157 PolarHBondContact O-N 3.23Å; Q154-R157 WeakPolarHBondContact O-CB 3.48Å; Q154-R157 PolarHBondContact O-N 3.47Å; D155-R157 VanDerWaalsContact C-N 3.3Å; D155-R157 PolarHBondContact O-N 3.47Å; R157-T160 PolarHBondContact O-N 2.85Å; R157-L161 PolarHBondContact O-N 3.22Å
158L94.5Very high93.5Very high29 Ų2948.9 Ų48.915%0.15224%0.242CC..Hα-helixtrans-68.4-41.5177-68.1177.2000112.4E97 L148 Q154 D155 T160 L161 Y162E97-L158 HydrophobicContact CB-CD2 4.35Å; E97-L158 VanDerWaalsContact CD-CD2 3.42Å; E97-L158 HydrophobicContact CG-CD2 3.59Å; L148-L158 HydrophobicContact CD1-CB 3.77Å; L148-L158 HydrophobicContact CD2-CB 4.24Å; L148-L158 HydrophobicContact CD2-CD1 3.91Å; Q154-L158 PolarHBondContact O-N 3.4Å; Q154-L158 VanDerWaalsContact O-N 3.13Å; D155-L158 CarbonylContact O-C 3.55Å; D155-L158 WeakPolarHBondContact O-CB 3.17Å; D155-L158 PolarHBondContact O-N 3.39Å; D155-L158 VanDerWaalsContact O-N 3.08Å; L158-T160 VanDerWaalsContact C-N 3.29Å; L158-T160 PolarHBondContact O-N 2.94Å; L158-L161 HydrophobicContact CD2-CD2 4.46Å; L158-L161 WeakPolarHBondContact O-CB 3.08Å; L158-L161 PolarHBondContact O-N 3.46Å; L158-Y162 HydrophobicContact CB-CD2 4.37Å; L158-Y162 HydrophobicContact CB-CE2 4Å; L158-Y162 WeakPolarHBondContact O-CB 3.32Å; L158-Y162 WeakPolarHBondContact O-CD2 3.45Å; L158-Y162 VanDerWaalsContact O-CG 3.3Å; L158-Y162 PolarHBondContact O-N 2.88Å
159I96.1Very high93.6Very high0 Ų048.2 Ų48.20%024%0.239CC..Hα-helixtrans-57.6-47.7174.3-70.1162.9000109.2L145 L148 P150 D155 L161 Y162 L163 L212 T228L145-I159 HydrophobicContact CD2-CB 4.12Å; L145-I159 HydrophobicContact CD2-CG1 4.06Å; L145-I159 HydrophobicContact CD2-CG2 3.92Å; L148-I159 HydrophobicContact CB-CD1 4Å; L148-I159 HydrophobicContact CB-CG1 3.76Å; L148-I159 HydrophobicContact CD1-CG1 3.74Å; L148-I159 HydrophobicContact CG-CG1 4.4Å; P150-I159 HydrophobicContact CB-CD1 4.19Å; P150-I159 HydrophobicContact CG-CD1 3.93Å; D155-I159 WeakPolarHBondContact O-CB 3.29Å; D155-I159 VanDerWaalsContact O-CG1 3.23Å; D155-I159 WeakPolarHBondContact O-CG1 3.43Å; D155-I159 PolarHBondContact O-N 3.41Å; I159-L161 PolarHBondContact O-N 2.69Å; I159-Y162 PolarHBondContact O-N 2.73Å; I159-L163 HydrophobicContact CG2-CD1 3.84Å; I159-L163 HydrophobicContact CG2-CG 4.26Å; I159-L163 WeakPolarHBondContact O-CB 3.49Å; I159-L163 VanDerWaalsContact O-CG 3.31Å; I159-L163 WeakPolarHBondContact O-CG 3.48Å; I159-L163 PolarHBondContact O-N 3.43Å; I159-L212 HydrophobicContact CD1-CD1 3.87Å; I159-L212 HydrophobicContact CG1-CD1 4.09Å; I159-L212 HydrophobicContact CG2-CD1 3.87Å; I159-L212 HydrophobicContact CG2-CD2 4.21Å; I159-T228 HydrophobicContact CG2-CG2 3.52Å
160T95.6Very high93.7Very high56 Ų5643.1 Ų43.134%0.34422%0.217SC..Hα-helixtrans-60-47.2177.4-570000110.8S156 R157 L158 Y162 L163 T164 T228S156-T160 PolarHBondContact O-N 2.86Å; S156-T160 PolarHBondContact O-OG1 3.47Å; R157-T160 PolarHBondContact O-N 2.85Å; L158-T160 VanDerWaalsContact C-N 3.29Å; L158-T160 PolarHBondContact O-N 2.94Å; T160-Y162 PolarHBondContact O-N 3.32Å; T160-L163 PolarHBondContact O-N 2.8Å; T160-T164 WeakPolarHBondContact O-CB 3.34Å; T160-T164 PolarHBondContact O-N 3.06Å; T160-T164 PolarHBondContact O-OG1 3.19Å; T160-T228 PolarHBondContact OG1-OG1 2.85Å
161L95.6Very high93.6Very high14 Ų1444.8 Ų44.87%0.07323%0.226CC..Hα-helixtrans-56.1-49.5176.7178.969.7000112.6E97 C100 R101 L104 R157 L158 I159 T164 M165E97-L161 HydrophobicContact CG-CD2 3.63Å; C100-L161 HydrophobicContact CB-CD1 4.42Å; C100-L161 HydrophobicContact CB-CD2 4.07Å; C100-L161 HydrophobicContact CB-CG 4.2Å; R101-L161 HydrophobicContact CG-CD1 3.78Å; R101-L161 HydrophobicContact CG-CD2 3.95Å; L104-L161 HydrophobicContact CD1-CD1 3.63Å; R157-L161 PolarHBondContact O-N 3.22Å; L158-L161 HydrophobicContact CD2-CD2 4.46Å; L158-L161 WeakPolarHBondContact O-CB 3.08Å; L158-L161 PolarHBondContact O-N 3.46Å; I159-L161 PolarHBondContact O-N 2.69Å; L161-T164 PolarHBondContact O-N 3.46Å; L161-M165 PolarHBondContact O-N 2.88Å
162Y97.1Very high93.7Very high4 Ų439.6 Ų39.62%0.01620%0.202CC..Hα-helixtrans-72-36-176.7-64.1-36.3000112.9F96 C141 F144 L148 L158 I159 T160 M165 L166F96-Y162 AromaticContact CD1-CE1 3.79Å; F96-Y162 HydrophobicContact CD1-CE1 3.79Å; F96-Y162 HydrophobicContact CE1-CD1 4.24Å; F96-Y162 AromaticContact CE1-CE1 3.66Å; F96-Y162 HydrophobicContact CE1-CE1 3.66Å; C141-Y162 HydrophobicContact CB-CD1 4.2Å; C141-Y162 HydrophobicContact CB-CG 4.26Å; F144-Y162 HydrophobicContact CB-CD2 3.92Å; F144-Y162 HydrophobicContact CB-CE2 3.55Å; F144-Y162 HydrophobicContact CD2-CE2 4.39Å; F144-Y162 HydrophobicContact CG-CE2 4.04Å; L148-Y162 HydrophobicContact CD1-CD2 3.77Å; L148-Y162 HydrophobicContact CD1-CE2 3.85Å; L158-Y162 HydrophobicContact CB-CD2 4.37Å; L158-Y162 HydrophobicContact CB-CE2 4Å; L158-Y162 WeakPolarHBondContact O-CB 3.32Å; L158-Y162 WeakPolarHBondContact O-CD2 3.45Å; L158-Y162 VanDerWaalsContact O-CG 3.3Å; L158-Y162 PolarHBondContact O-N 2.88Å; I159-Y162 PolarHBondContact O-N 2.73Å; T160-Y162 PolarHBondContact O-N 3.32Å; Y162-M165 WeakPolarHBondContact O-CB 3.4Å; Y162-M165 PolarHBondContact O-N 2.88Å; Y162-L166 WeakPolarHBondContact O-CG 3.11Å; Y162-L166 PolarHBondContact O-N 3.18Å; Y162-L166 VanDerWaalsContact O-N 3.11Å
163L96.4Very high93.4Very high1 Ų139.4 Ų39.41%0.00521%0.208CC..Hα-helixtrans-67.1-39.5171.1-71178.9000111.5L145 I159 T160 M165 L166 V167 L212 T228 A231 A232 L235L145-L163 HydrophobicContact CD1-CD2 3.85Å; L145-L163 HydrophobicContact CD1-CG 4.39Å; L145-L163 HydrophobicContact CD2-CG 4.34Å; I159-L163 HydrophobicContact CG2-CD1 3.84Å; I159-L163 HydrophobicContact CG2-CG 4.26Å; I159-L163 WeakPolarHBondContact O-CB 3.49Å; I159-L163 VanDerWaalsContact O-CG 3.31Å; I159-L163 WeakPolarHBondContact O-CG 3.48Å; I159-L163 PolarHBondContact O-N 3.43Å; T160-L163 PolarHBondContact O-N 2.8Å; L163-M165 VanDerWaalsContact C-N 3.35Å; L163-M165 PolarHBondContact O-N 3.19Å; L163-L166 HydrophobicContact CD2-CD1 4.29Å; L163-L166 WeakPolarHBondContact O-CB 3.32Å; L163-L166 PolarHBondContact O-N 3.18Å; L163-L166 VanDerWaalsContact O-N 3.17Å; L163-V167 WeakPolarHBondContact O-CG2 3.41Å; L163-V167 PolarHBondContact O-N 3.28Å; L163-L212 HydrophobicContact CD1-CD2 4.15Å; L163-L212 HydrophobicContact CD2-CD2 4.11Å; L163-L212 HydrophobicContact CG-CD2 4.44Å; L163-T228 HydrophobicContact CD1-CG2 3.49Å; L163-T228 VanDerWaalsContact CD1-CG2 3.49Å; L163-A231 HydrophobicContact CB-CB 4.22Å; L163-A231 HydrophobicContact CD1-CB 4.35Å; L163-A232 HydrophobicContact CD1-CB 4.25Å; L163-L235 HydrophobicContact CD2-CD1 3.93Å
164T95.5Very high93.1Very high57 Ų5736.7 Ų36.735%0.3520%0.196SC..Hα-helixtrans-61.6-44174.5-60.10000110.8L104 T160 L161 L166 V167 T168L104-T164 HydrophobicContact CD1-CG2 3.82Å; L104-T164 HydrophobicContact CD2-CG2 4.05Å; T160-T164 WeakPolarHBondContact O-CB 3.34Å; T160-T164 PolarHBondContact O-N 3.06Å; T160-T164 PolarHBondContact O-OG1 3.19Å; L161-T164 PolarHBondContact O-N 3.46Å; T164-L166 VanDerWaalsContact C-N 3.29Å; T164-L166 PolarHBondContact O-N 2.93Å; T164-V167 PolarHBondContact O-N 3.43Å; T164-T168 WeakPolarHBondContact O-CB 3.43Å; T164-T168 PolarHBondContact O-N 2.94Å; T164-T168 PolarHBondContact O-OG1 3.15Å
165M96.1Very high93Very high0 Ų029.8 Ų29.80%016%0.164CC..Hα-helixtrans-52.9-47171.9-78.1-66.5-62.400112.2C100 I103 L104 I137 L138 L161 Y162 L163 F169C100-M165 HydrophobicContact CB-CG 3.97Å; C100-M165 HydrophobicContact CB-SD 4.18Å; I103-M165 HydrophobicContact CB-CE 4.36Å; I103-M165 HydrophobicContact CB-SD 4.33Å; I103-M165 HydrophobicContact CD1-CE 4.23Å; I103-M165 HydrophobicContact CG2-CE 4.02Å; I103-M165 HydrophobicContact CG2-SD 4.19Å; L104-M165 HydrophobicContact CD1-CG 4.05Å; L104-M165 HydrophobicContact CD1-SD 4.07Å; L104-M165 HydrophobicContact CD2-CG 4.3Å; L104-M165 HydrophobicContact CD2-SD 3.6Å; L104-M165 HydrophobicContact CG-CG 4.13Å; L104-M165 HydrophobicContact CG-SD 3.48Å; L104-M165 WeakPolarHBondContact CG-SD 3.32Å; I137-M165 HydrophobicContact CG2-CE 3.83Å; L138-M165 HydrophobicContact CD2-CB 4.18Å; L138-M165 HydrophobicContact CD2-CE 4.44Å; L161-M165 PolarHBondContact O-N 2.88Å; Y162-M165 WeakPolarHBondContact O-CB 3.4Å; Y162-M165 PolarHBondContact O-N 2.88Å; L163-M165 VanDerWaalsContact C-N 3.35Å; L163-M165 PolarHBondContact O-N 3.19Å; M165-F169 HydrophobicContact CE-CD2 3.94Å; M165-F169 HydrophobicContact CE-CE2 3.73Å; M165-F169 WeakPolarHBondContact O-CD2 3.1Å; M165-F169 PolarHBondContact O-N 3.33Å; M165-F169 VanDerWaalsContact O-N 3.13Å; M165-F169 HydrophobicContact SD-CD2 4.5Å; M165-F169 HydrophobicContact SD-CE2 4.11Å
166L95.9Very high92.6Very high0 Ų031.3 Ų31.30%017%0.169CC..Hα-helixtrans-64.3-47.1178.1-71.9163.7000111.8L138 L145 Y162 L163 T164 T168 T170 L200 F205 L235L138-L166 HydrophobicContact CB-CD2 3.96Å; L138-L166 HydrophobicContact CD2-CD2 4.12Å; L138-L166 HydrophobicContact CG-CD2 4.42Å; L145-L166 HydrophobicContact CD1-CD1 3.73Å; Y162-L166 WeakPolarHBondContact O-CG 3.11Å; Y162-L166 PolarHBondContact O-N 3.18Å; Y162-L166 VanDerWaalsContact O-N 3.11Å; L163-L166 HydrophobicContact CD2-CD1 4.29Å; L163-L166 WeakPolarHBondContact O-CB 3.32Å; L163-L166 PolarHBondContact O-N 3.18Å; L163-L166 VanDerWaalsContact O-N 3.17Å; T164-L166 VanDerWaalsContact C-N 3.29Å; T164-L166 PolarHBondContact O-N 2.93Å; L166-T168 PolarHBondContact O-N 2.93Å; L166-T170 VanDerWaalsContact O-CB 3.32Å; L166-T170 WeakPolarHBondContact O-CB 3.37Å; L166-T170 VanDerWaalsContact O-CG2 3.26Å; L166-T170 WeakPolarHBondContact O-CG2 3.49Å; L166-T170 PolarHBondContact O-N 3.38Å; L166-T170 VanDerWaalsContact O-N 3.13Å; L166-T170 PolarHBondContact O-OG1 3.11Å; L166-L200 HydrophobicContact CD2-CD1 3.8Å; L166-F205 HydrophobicContact CD1-CE2 4.08Å; L166-F205 HydrophobicContact CD2-CE2 4.34Å; L166-L235 HydrophobicContact CB-CD1 3.65Å; L166-L235 HydrophobicContact CB-CD2 4.06Å; L166-L235 HydrophobicContact CD1-CD1 4.26Å
167V94.9Very high92.1Very high35 Ų3531.5 Ų31.521%0.21217%0.167CC..Hα-helixtrans-60.7-47.5178.8171.40000110.7L163 T164 F169 T170 D171 A231 L235L163-V167 WeakPolarHBondContact O-CG2 3.41Å; L163-V167 PolarHBondContact O-N 3.28Å; T164-V167 PolarHBondContact O-N 3.43Å; V167-F169 PolarHBondContact O-N 3.28Å; V167-T170 PolarHBondContact O-N 2.97Å; V167-D171 WeakPolarHBondContact O-CB 3.29Å; V167-D171 PolarHBondContact O-N 3.36Å; V167-A231 HydrophobicContact CG2-CB 3.94Å; V167-L235 HydrophobicContact CG2-CD1 3.92Å; V167-L235 HydrophobicContact CG2-CD2 4.13Å; V167-L235 HydrophobicContact CG2-CG 3.9Å
168T93Very high91.7Very high15 Ų1524 Ų249%0.09214%0.139CC..Hα-helixtrans-62-44.9-177.7-59.20000111.7L104 M107 T164 L166 W175L104-T168 HydrophobicContact CD2-CG2 4.36Å; M107-T168 HydrophobicContact CE-CG2 4.06Å; M107-T168 HydrophobicContact CG-CG2 4.26Å; T164-T168 WeakPolarHBondContact O-CB 3.43Å; T164-T168 PolarHBondContact O-N 2.94Å; T164-T168 PolarHBondContact O-OG1 3.15Å; L166-T168 PolarHBondContact O-N 2.93Å; T168-W175 PolarHBondContact O-NE1 3.03Å
169F93.9Very high91.1Very high0 Ų030.8 Ų30.80%016%0.163CC..Hα-helixtrans-93.75.4-175.2-70.4-72.4000114.9I103 M107 Y117 W130 I134 L138 M165 V167 W175I103-F169 HydrophobicContact CG2-CE2 3.49Å; I103-F169 VanDerWaalsContact CG2-CE2 3.49Å; I103-F169 HydrophobicContact CG2-CZ 3.45Å; I103-F169 VanDerWaalsContact CG2-CZ 3.45Å; M107-F169 HydrophobicContact CG-CZ 4.22Å; M107-F169 HydrophobicContact SD-CE1 4.39Å; M107-F169 HydrophobicContact SD-CZ 4.24Å; Y117-F169 HydrophobicContact CD1-CE1 4.19Å; Y117-F169 HydrophobicContact CD1-CZ 4.02Å; W130-F169 HydrophobicContact CH2-CD1 4.12Å; W130-F169 HydrophobicContact CH2-CE1 4.45Å; W130-F169 AromaticContact CZ2-CD1 3.93Å; W130-F169 HydrophobicContact CZ2-CD1 3.93Å; W130-F169 AromaticContact CZ2-CE1 3.83Å; W130-F169 HydrophobicContact CZ2-CE1 3.83Å; I134-F169 HydrophobicContact CD1-CD1 4Å; I134-F169 HydrophobicContact CD1-CD2 4.33Å; I134-F169 HydrophobicContact CD1-CE1 4.04Å; I134-F169 HydrophobicContact CD1-CE2 4.36Å; I134-F169 HydrophobicContact CD1-CG 4.16Å; I134-F169 HydrophobicContact CD1-CZ 4.22Å; I134-F169 HydrophobicContact CG2-CB 4.17Å; I134-F169 HydrophobicContact CG2-CG 4.44Å; L138-F169 HydrophobicContact CD1-CB 3.87Å; L138-F169 HydrophobicContact CD2-CB 4.29Å; L138-F169 HydrophobicContact CD2-CD2 4.44Å; M165-F169 HydrophobicContact CE-CD2 3.94Å; M165-F169 HydrophobicContact CE-CE2 3.73Å; M165-F169 WeakPolarHBondContact O-CD2 3.1Å; M165-F169 PolarHBondContact O-N 3.33Å; M165-F169 VanDerWaalsContact O-N 3.13Å; M165-F169 HydrophobicContact SD-CD2 4.5Å; M165-F169 HydrophobicContact SD-CE2 4.11Å; V167-F169 PolarHBondContact O-N 3.28Å; F169-W175 HydrophobicContact CD1-CZ2 4.44Å
170T92.6Very high90.4Very high6 Ų633.5 Ų33.54%0.03719%0.191CC..Hα-helixtrans-117.82.7172.565.10000113.2L138 L166 V167 I196 M197 L200 L235 R238L138-T170 HydrophobicContact CD1-CG2 4.42Å; L166-T170 VanDerWaalsContact O-CB 3.32Å; L166-T170 WeakPolarHBondContact O-CB 3.37Å; L166-T170 VanDerWaalsContact O-CG2 3.26Å; L166-T170 WeakPolarHBondContact O-CG2 3.49Å; L166-T170 PolarHBondContact O-N 3.38Å; L166-T170 VanDerWaalsContact O-N 3.13Å; L166-T170 PolarHBondContact O-OG1 3.11Å; V167-T170 PolarHBondContact O-N 2.97Å; T170-I196 HydrophobicContact CG2-CG2 4.34Å; T170-M197 VanDerWaalsContact CB-CE 3.43Å; T170-M197 HydrophobicContact CG2-CE 3.64Å; T170-M197 HydrophobicContact CG2-SD 4.23Å; T170-L200 HydrophobicContact CG2-CD1 4.36Å; T170-L235 WeakPolarHBondContact OG1-CD2 3.38Å; T170-R238 VanDerWaalsContact C-NH1 3.28Å; T170-R238 WeakPolarHBondContact O-CD 3.34Å; T170-R238 PolarHBondContact O-NH1 3.37Å; T170-R238 PolarHBondContact OG1-NH1 3.39Å
171D89.9Confident89.2Confident41 Ų4141 Ų4122%0.21922%0.218CC..  trans-130.2137.4171.5-156.9-17.5000110.7V167 S173 W175 R238V167-D171 WeakPolarHBondContact O-CB 3.29Å; V167-D171 PolarHBondContact O-N 3.36Å; D171-S173 WeakPolarHBondContact OD1-CB 3.4Å; D171-S173 PolarHBondContact OD1-N 3.38Å; D171-S173 PolarHBondContact OD1-OG 2.79Å; D171-S173 PolarHBondContact OD2-OG 3.07Å; D171-W175 PolarHBondContact O-NE1 3.18Å; D171-R238 IonicContact OD2-CZ 3.95Å; D171-R238 IonicContact OD2-NH2 2.86Å; D171-R238 PolarHBondContact OD2-NH2 3.1Å
172T89.3Confident88.3Confident8 Ų840.9 Ų40.95%0.04922%0.221CC..SBendtrans-85.9-13.7172.759.40000113.2T174 W175 L178 M189 N190T172-T174 PolarHBondContact O-N 3.13Å; T172-W175 HydrophobicContact CG2-CD2 4.41Å; T172-W175 HydrophobicContact CG2-CE3 4Å; T172-W175 HydrophobicContact CG2-CH2 4.33Å; T172-W175 HydrophobicContact CG2-CZ3 3.98Å; T172-W175 WeakPolarHBondContact O-CB 3.47Å; T172-W175 PolarHBondContact O-N 3.32Å; T172-L178 HydrophobicContact CG2-CD1 3.88Å; T172-M189 HydrophobicContact CG2-CB 3.74Å; T172-N190 WeakPolarHBondContact CB-OD1 3.43Å; T172-N190 WeakPolarHBondContact CG2-OD1 3.38Å; T172-N190 PolarHBondContact OG1-OD1 3.15Å
173S85.4Confident87.6Confident74 Ų7445.4 Ų45.452%0.51724%0.242SC..THydrogen-bonded Turntrans-58-33.9-175.468.30000113.8D171D171-S173 WeakPolarHBondContact OD1-CB 3.4Å; D171-S173 PolarHBondContact OD1-N 3.38Å; D171-S173 PolarHBondContact OD1-OG 2.79Å; D171-S173 PolarHBondContact OD2-OG 3.07Å
174T83.4Confident87Confident65 Ų6550.1 Ų50.140%0.39928%0.275SS..THydrogen-bonded Turntrans-85.7-8.2-179.161.20000113.2T172 K176T172-T174 PolarHBondContact O-N 3.13Å; T174-K176 PolarHBondContact O-N 3.26Å
175W88.9Confident86.5Confident2 Ų250.9 Ų50.91%0.00828%0.277CS..  trans-81.1104.3-173.7-64.23.2000111M107 V118 T168 F169 D171 T172 I177 L178 M189 C193M107-W175 HydrophobicContact CE-CG 4.27Å; V118-W175 HydrophobicContact CG2-CD2 3.71Å; V118-W175 HydrophobicContact CG2-CE3 3.44Å; V118-W175 VanDerWaalsContact CG2-CE3 3.44Å; V118-W175 HydrophobicContact CG2-CG 4.49Å; V118-W175 HydrophobicContact CG2-CH2 3.76Å; V118-W175 HydrophobicContact CG2-CZ2 4.01Å; V118-W175 HydrophobicContact CG2-CZ3 3.44Å; V118-W175 VanDerWaalsContact CG2-CZ3 3.44Å; T168-W175 PolarHBondContact O-NE1 3.03Å; F169-W175 HydrophobicContact CD1-CZ2 4.44Å; D171-W175 PolarHBondContact O-NE1 3.18Å; T172-W175 HydrophobicContact CG2-CD2 4.41Å; T172-W175 HydrophobicContact CG2-CE3 4Å; T172-W175 HydrophobicContact CG2-CH2 4.33Å; T172-W175 HydrophobicContact CG2-CZ3 3.98Å; T172-W175 WeakPolarHBondContact O-CB 3.47Å; T172-W175 PolarHBondContact O-N 3.32Å; W175-I177 HydrophobicContact CB-CG2 4.28Å; W175-I177 PolarHBondContact O-N 3.22Å; W175-I177 VanDerWaalsContact O-N 3.08Å; W175-L178 HydrophobicContact CB-CD1 4.12Å; W175-L178 HydrophobicContact CB-CG 4.24Å; W175-L178 HydrophobicContact CD2-CD1 4.38Å; W175-L178 HydrophobicContact CE3-CD1 3.67Å; W175-L178 HydrophobicContact CE3-CG 4.37Å; W175-L178 PolarHBondContact O-N 3.04Å; W175-M189 HydrophobicContact CE3-CB 4.25Å; W175-M189 HydrophobicContact CE3-CG 4.4Å; W175-M189 HydrophobicContact CZ3-CB 3.71Å; W175-M189 HydrophobicContact CZ3-CG 3.95Å; W175-M189 HydrophobicContact CZ3-SD 3.86Å; W175-C193 VanDerWaalsContact CH2-SG 3.53Å
176K84Confident86.1Confident61 Ų6154.7 Ų54.727%0.26529%0.291SS..G310 helixtrans-55.6-27.4177.1-62.3-178.4-175.1-1780112.9D108 W116 T174 L178 R179D108-K176 PolarHBondContact O-NZ 3.34Å; W116-K176 HydrophobicContact CH2-CB 3.5Å; W116-K176 HydrophobicContact CZ2-CB 3.41Å; W116-K176 VanDerWaalsContact CZ2-CB 3.41Å; W116-K176 HydrophobicContact CZ2-CD 3.98Å; W116-K176 HydrophobicContact CZ2-CG 4.32Å; W116-K176 HydrophobicContact CZ3-CB 4.13Å; T174-K176 PolarHBondContact O-N 3.26Å; K176-L178 PolarHBondContact O-N 2.97Å; K176-R179 PolarHBondContact O-N 3.17Å
177I83.7Confident85.7Confident34 Ų3459.2 Ų59.217%0.17432%0.32CS..G310 helixtrans-64-21.5177-154169.4000114.3W116 V118 W175W116-I177 HydrophobicContact CE3-CB 3.57Å; W116-I177 HydrophobicContact CE3-CD1 4.31Å; W116-I177 HydrophobicContact CE3-CG1 3.92Å; W116-I177 HydrophobicContact CZ3-CB 3.69Å; W116-I177 HydrophobicContact CZ3-CG1 3.99Å; W116-I177 VanDerWaalsContact CZ3-N 3.33Å; V118-I177 HydrophobicContact CG1-CB 4.36Å; V118-I177 HydrophobicContact CG1-CG2 3.82Å; W175-I177 HydrophobicContact CB-CG2 4.28Å; W175-I177 PolarHBondContact O-N 3.22Å; W175-I177 VanDerWaalsContact O-N 3.08Å
178L83.9Confident85.4Confident2 Ų260.1 Ų60.11%0.0133%0.332CS..G310 helixtrans-98.112.5-177.9-61.9177.9000113.2T172 W175 K176 G182 L185 R186 M189T172-L178 HydrophobicContact CG2-CD1 3.88Å; W175-L178 HydrophobicContact CB-CD1 4.12Å; W175-L178 HydrophobicContact CB-CG 4.24Å; W175-L178 HydrophobicContact CD2-CD1 4.38Å; W175-L178 HydrophobicContact CE3-CD1 3.67Å; W175-L178 HydrophobicContact CE3-CG 4.37Å; W175-L178 PolarHBondContact O-N 3.04Å; K176-L178 PolarHBondContact O-N 2.97Å; L178-G182 VanDerWaalsContact CD2-O 3.29Å; L178-G182 WeakPolarHBondContact CD2-O 3.34Å; L178-L185 HydrophobicContact CD2-CB 3.92Å; L178-R186 HydrophobicContact CD1-CG 4.48Å; L178-R186 PolarHBondContact O-NH2 3.31Å; L178-M189 HydrophobicContact CD1-CB 3.97Å; L178-M189 HydrophobicContact CD1-CG 4.19Å; L178-M189 HydrophobicContact CD2-CG 4Å
179R82.8Confident85.3Confident172 Ų17260 Ų6065%0.64933%0.33SS*.SBendtrans-90.2144.9171.4-62.2-175.7179.7-174.4-0.9110.2K176 K181K176-R179 PolarHBondContact O-N 3.17Å; R179-K181 PolarHBondContact O-N 3.12Å
180G81.6Confident85.1Confident57 Ų5763.4 Ų63.459%0.58835%0.348SS*.G310 helixtrans64.1-123.517900000112.7G182 E183G180-G182 PolarHBondContact O-N 3.03Å; G180-G182 VanDerWaalsContact O-N 3.09Å; G180-E183 VanDerWaalsContact O-CB 3.31Å; G180-E183 WeakPolarHBondContact O-CB 3.46Å; G180-E183 PolarHBondContact O-N 3.01Å; G180-E183 VanDerWaalsContact O-N 3.12Å
181K69.8Low84.9Confident212 Ų21269.5 Ų69.592%0.92238%0.376SS*.G310 helixtrans-61.1-20.2-176-65.7-174-179.8-178.40114.7R179 E183R179-K181 PolarHBondContact O-N 3.12Å; K181-E183 VanDerWaalsContact C-N 3.34Å
182G75.8Confident85Confident12 Ų1268.6 Ų68.612%0.12437%0.371CS..G310 helixtrans-83.4-3.9178.500000114.8L178 G180 S184 L185L178-G182 VanDerWaalsContact CD2-O 3.29Å; L178-G182 WeakPolarHBondContact CD2-O 3.34Å; G180-G182 PolarHBondContact O-N 3.03Å; G180-G182 VanDerWaalsContact O-N 3.09Å; G182-S184 PolarHBondContact O-N 3.22Å; G182-L185 WeakPolarHBondContact O-CB 3.36Å; G182-L185 PolarHBondContact O-N 3.49Å
183E82.8Confident85.1Confident100 Ų10068.5 Ų68.547%0.46737%0.371SS..G310 helixtrans-64.2-28.6-176-169.4151.2-135.700113G180 K181 L185 R186G180-E183 VanDerWaalsContact O-CB 3.31Å; G180-E183 WeakPolarHBondContact O-CB 3.46Å; G180-E183 PolarHBondContact O-N 3.01Å; G180-E183 VanDerWaalsContact O-N 3.12Å; K181-E183 VanDerWaalsContact C-N 3.34Å; E183-L185 PolarHBondContact O-N 3.13Å; E183-R186 WeakPolarHBondContact O-CB 3.34Å; E183-R186 PolarHBondContact O-N 3.24Å; E183-R186 IonicContact OE1-CZ 3.2Å; E183-R186 IonicContact OE1-NH1 2.81Å; E183-R186 PolarHBondContact OE1-NH1 3.14Å; E183-R186 IonicContact OE1-NH2 2.72Å; E183-R186 PolarHBondContact OE1-NH2 3.45Å
184S84.1Confident85.3Confident99 Ų9967.6 Ų67.669%0.69237%0.368SS*.G310 helixtrans-62-23.3173.558.70000113.8G182G182-S184 PolarHBondContact O-N 3.22Å
185L83.9Confident85.7Confident74 Ų7468 Ų6839%0.38737%0.367SS..G310 helixtrans-85.7-9.6177.5-62173.5000112.8L178 G182 E183 A188 M189L178-L185 HydrophobicContact CD2-CB 3.92Å; G182-L185 WeakPolarHBondContact O-CB 3.36Å; G182-L185 PolarHBondContact O-N 3.49Å; E183-L185 PolarHBondContact O-N 3.13Å; L185-A188 PolarHBondContact O-N 3.09Å; L185-M189 WeakPolarHBondContact O-CG 3.38Å; L185-M189 PolarHBondContact O-N 3.45Å
186R88.5Confident86Confident80 Ų8067.9 Ų67.930%0.30237%0.367SS..Hα-helixtrans-57.2-41.7-175-170.3176-68155.59.9113.4L178 E183 A188 M189 N190L178-R186 HydrophobicContact CD1-CG 4.48Å; L178-R186 PolarHBondContact O-NH2 3.31Å; E183-R186 WeakPolarHBondContact O-CB 3.34Å; E183-R186 PolarHBondContact O-N 3.24Å; E183-R186 IonicContact OE1-CZ 3.2Å; E183-R186 IonicContact OE1-NH1 2.81Å; E183-R186 PolarHBondContact OE1-NH1 3.14Å; E183-R186 IonicContact OE1-NH2 2.72Å; E183-R186 PolarHBondContact OE1-NH2 3.45Å; R186-A188 PolarHBondContact O-N 2.83Å; R186-M189 PolarHBondContact O-N 3.49Å; R186-N190 WeakPolarHBondContact O-CB 3.31Å; R186-N190 VanDerWaalsContact O-CG 3.27Å; R186-N190 PolarHBondContact O-N 2.85Å; R186-N190 PolarHBondContact O-ND2 2.99Å
187P88.4Confident86.4Confident94 Ų9465.3 Ų65.361%0.6136%0.356SS*.Hα-helixtrans-60.9-44.6176.9-24.135000113.2N190 H191P187-N190 PolarHBondContact O-N 3.21Å; P187-H191 PolarHBondContact O-N 3.41Å; P187-H191 VanDerWaalsContact O-N 3.07Å
188A87.7Confident86.7Confident55 Ų5565.1 Ų65.146%0.45536%0.362SS..Hα-helixtrans-65.5-40.7178.200000111.7L185 R186 H191 I192L185-A188 PolarHBondContact O-N 3.09Å; R186-A188 PolarHBondContact O-N 2.83Å; A188-H191 WeakPolarHBondContact O-CB 3.46Å; A188-H191 PolarHBondContact O-N 3.16Å; A188-I192 PolarHBondContact O-N 3.2Å; A188-I192 VanDerWaalsContact O-N 3.08Å
189M90.2Very high87.2Confident11 Ų1167 Ų675%0.05437%0.371CS..Hα-helixtrans-68.4-35.9177.2-68.1-56.8149.700112.8A121 T172 W175 L178 L185 R186 H191 I192 C193A121-M189 HydrophobicContact CB-SD 4.35Å; T172-M189 HydrophobicContact CG2-CB 3.74Å; W175-M189 HydrophobicContact CE3-CB 4.25Å; W175-M189 HydrophobicContact CE3-CG 4.4Å; W175-M189 HydrophobicContact CZ3-CB 3.71Å; W175-M189 HydrophobicContact CZ3-CG 3.95Å; W175-M189 HydrophobicContact CZ3-SD 3.86Å; L178-M189 HydrophobicContact CD1-CB 3.97Å; L178-M189 HydrophobicContact CD1-CG 4.19Å; L178-M189 HydrophobicContact CD2-CG 4Å; L185-M189 WeakPolarHBondContact O-CG 3.38Å; L185-M189 PolarHBondContact O-N 3.45Å; R186-M189 PolarHBondContact O-N 3.49Å; M189-H191 VanDerWaalsContact C-N 3.32Å; M189-H191 PolarHBondContact O-N 3.06Å; M189-I192 HydrophobicContact CE-CD1 4.41Å; M189-I192 PolarHBondContact O-N 3.35Å; M189-I192 HydrophobicContact SD-CD1 3.94Å; M189-C193 PolarHBondContact O-N 3.04Å; M189-C193 PolarHBondContact O-SG 2.87Å; M189-C193 VanDerWaalsContact O-SG 3.34Å
190N89.9Confident87.7Confident72 Ų7258.8 Ų58.839%0.38534%0.34SS..Hα-helixtrans-61.7-40.9171.4-78.1-18000111.4T172 R186 P187 I192 C193 A194T172-N190 WeakPolarHBondContact CB-OD1 3.43Å; T172-N190 WeakPolarHBondContact CG2-OD1 3.38Å; T172-N190 PolarHBondContact OG1-OD1 3.15Å; R186-N190 WeakPolarHBondContact O-CB 3.31Å; R186-N190 VanDerWaalsContact O-CG 3.27Å; R186-N190 PolarHBondContact O-N 2.85Å; R186-N190 PolarHBondContact O-ND2 2.99Å; P187-N190 PolarHBondContact O-N 3.21Å; N190-I192 VanDerWaalsContact C-N 3.33Å; N190-I192 PolarHBondContact O-N 2.96Å; N190-C193 PolarHBondContact O-N 3.46Å; N190-A194 WeakPolarHBondContact O-CB 3.05Å; N190-A194 PolarHBondContact O-N 3.36Å
191H89.8Confident88.2Confident134 Ų13457.5 Ų57.562%0.6232%0.319SS*.Hα-helixtrans-63.4-38.4174.9-172.8-83.9000112.1P187 A188 M189 A194 N195P187-H191 PolarHBondContact O-N 3.41Å; P187-H191 VanDerWaalsContact O-N 3.07Å; A188-H191 WeakPolarHBondContact O-CB 3.46Å; A188-H191 PolarHBondContact O-N 3.16Å; M189-H191 VanDerWaalsContact C-N 3.32Å; M189-H191 PolarHBondContact O-N 3.06Å; H191-A194 PolarHBondContact O-N 2.87Å; H191-N195 WeakPolarHBondContact O-CB 3.34Å; H191-N195 PolarHBondContact O-N 3.45Å
192I91.3Very high89.3Confident22 Ų2255.3 Ų55.311%0.11331%0.312CS..Hα-helixtrans-63.3-45.6173.1-67.1172.5000110.9T127 W130 I131 A188 M189 N190 A194 N195 I196T127-I192 HydrophobicContact CG2-CD1 4.4Å; W130-I192 HydrophobicContact CZ3-CG2 4.14Å; I131-I192 HydrophobicContact CD1-CD1 4.27Å; I131-I192 HydrophobicContact CD1-CG1 4.17Å; I131-I192 HydrophobicContact CD1-CG2 4.12Å; I131-I192 HydrophobicContact CG1-CG2 3.96Å; A188-I192 PolarHBondContact O-N 3.2Å; A188-I192 VanDerWaalsContact O-N 3.08Å; M189-I192 HydrophobicContact CE-CD1 4.41Å; M189-I192 PolarHBondContact O-N 3.35Å; M189-I192 HydrophobicContact SD-CD1 3.94Å; N190-I192 VanDerWaalsContact C-N 3.33Å; N190-I192 PolarHBondContact O-N 2.96Å; I192-A194 VanDerWaalsContact C-N 3.33Å; I192-A194 PolarHBondContact O-N 3.42Å; I192-N195 WeakPolarHBondContact O-CB 3.41Å; I192-N195 PolarHBondContact O-N 3.33Å; I192-I196 HydrophobicContact CG2-CD1 3.82Å; I192-I196 HydrophobicContact CG2-CG1 4.44Å; I192-I196 WeakPolarHBondContact O-CG1 3.4Å; I192-I196 PolarHBondContact O-N 3.48Å
193C92Very high90Very high7 Ų759.5 Ų59.55%0.04733%0.328CS..Hα-helixtrans-60.3-42.5176.4-67.90000111.7W175 M189 N190 N195 I196 M197W175-C193 VanDerWaalsContact CH2-SG 3.53Å; M189-C193 PolarHBondContact O-N 3.04Å; M189-C193 PolarHBondContact O-SG 2.87Å; M189-C193 VanDerWaalsContact O-SG 3.34Å; N190-C193 PolarHBondContact O-N 3.46Å; C193-N195 VanDerWaalsContact C-N 3.34Å; C193-N195 PolarHBondContact O-N 3.43Å; C193-I196 PolarHBondContact O-N 3.05Å; C193-M197 WeakPolarHBondContact O-CB 3.47Å; C193-M197 PolarHBondContact O-N 2.94Å
194A89.2Confident90.4Very high54 Ų5456 Ų5645%0.44632%0.319SS..Hα-helixtrans-62-40.6174.800000111.9N190 H191 I192 M197 G198N190-A194 WeakPolarHBondContact O-CB 3.05Å; N190-A194 PolarHBondContact O-N 3.36Å; H191-A194 PolarHBondContact O-N 2.87Å; I192-A194 VanDerWaalsContact C-N 3.33Å; I192-A194 PolarHBondContact O-N 3.42Å; A194-M197 PolarHBondContact O-N 3.25Å; A194-G198 PolarHBondContact O-N 3.24Å
195N92.3Very high91Very high73 Ų7351.3 Ų51.339%0.3929%0.286SS..Hα-helixtrans-65.2-41.1176.2-172.9-72.2000112.5K135 H191 I192 C193 H199K135-N195 WeakPolarHBondContact CE-OD1 3.45Å; K135-N195 PolarHBondContact NZ-OD1 2.84Å; H191-N195 WeakPolarHBondContact O-CB 3.34Å; H191-N195 PolarHBondContact O-N 3.45Å; I192-N195 WeakPolarHBondContact O-CB 3.41Å; I192-N195 PolarHBondContact O-N 3.33Å; C193-N195 VanDerWaalsContact C-N 3.34Å; C193-N195 PolarHBondContact O-N 3.43Å; N195-H199 PolarHBondContact O-N 3.45Å; N195-H199 VanDerWaalsContact O-N 3.1Å
196I93.9Very high91.5Very high0 Ų048.2 Ų48.20%027%0.27CS..Hα-helixtrans-63.3-47.2174-68.9164.9000109.9W130 I134 K135 L138 T170 I192 C193 G198 H199 L200W130-I196 HydrophobicContact CZ3-CD1 4.43Å; I134-I196 HydrophobicContact CG2-CD1 3.78Å; I134-I196 HydrophobicContact CG2-CG1 4.45Å; I134-I196 HydrophobicContact CG2-CG2 4.43Å; K135-I196 HydrophobicContact CG-CG1 4.27Å; L138-I196 HydrophobicContact CD1-CG2 3.54Å; T170-I196 HydrophobicContact CG2-CG2 4.34Å; I192-I196 HydrophobicContact CG2-CD1 3.82Å; I192-I196 HydrophobicContact CG2-CG1 4.44Å; I192-I196 WeakPolarHBondContact O-CG1 3.4Å; I192-I196 PolarHBondContact O-N 3.48Å; C193-I196 PolarHBondContact O-N 3.05Å; I196-G198 PolarHBondContact O-N 2.92Å; I196-H199 WeakPolarHBondContact O-CB 3.4Å; I196-H199 PolarHBondContact O-N 3.18Å; I196-L200 HydrophobicContact CG2-CD1 4.43Å; I196-L200 WeakPolarHBondContact O-CG 3.23Å; I196-L200 PolarHBondContact O-N 2.93Å
197M92Very high91.8Very high8 Ų846.3 Ų46.34%0.03927%0.269CS..Hα-helixtrans-62.7-43.2179.3-168.564.287.400112.1T170 C193 A194 H199 L200 N201 F205 L235 R238 P239T170-M197 VanDerWaalsContact CB-CE 3.43Å; T170-M197 HydrophobicContact CG2-CE 3.64Å; T170-M197 HydrophobicContact CG2-SD 4.23Å; C193-M197 WeakPolarHBondContact O-CB 3.47Å; C193-M197 PolarHBondContact O-N 2.94Å; A194-M197 PolarHBondContact O-N 3.25Å; M197-H199 VanDerWaalsContact C-N 3.31Å; M197-H199 PolarHBondContact O-N 3.46Å; M197-L200 PolarHBondContact O-N 3.07Å; M197-L200 HydrophobicContact SD-CD1 4.49Å; M197-N201 PolarHBondContact O-N 3.19Å; M197-F205 HydrophobicContact SD-CE1 4.3Å; M197-L235 HydrophobicContact CE-CD2 4.26Å; M197-R238 HydrophobicContact CE-CB 4.36Å; M197-R238 HydrophobicContact CE-CG 4.11Å; M197-P239 HydrophobicContact CE-CG 4.43Å; M197-P239 HydrophobicContact CG-CB 4.16Å; M197-P239 HydrophobicContact CG-CG 3.67Å; M197-P239 HydrophobicContact SD-CG 3.92Å
198G91.3Very high92.1Very high29 Ų2941.9 Ų41.930%0.29924%0.24SC..Hα-helixtrans-58.2-41.6174.500000112.6A194 I196 N201 Q202A194-G198 PolarHBondContact O-N 3.24Å; I196-G198 PolarHBondContact O-N 2.92Å; G198-N201 PolarHBondContact O-N 2.86Å; G198-Q202 WeakPolarHBondContact O-CG 3.12Å; G198-Q202 PolarHBondContact O-N 2.99Å
199H93.9Very high92.5Very high41 Ų4139.2 Ų39.219%0.1922%0.218CC..Hα-helixtrans-62.8-45.4174.1172.6-85000112.4K135 N195 I196 M197 N201 Q202 H203K135-H199 HydrophobicContact CD-CB 3.95Å; K135-H199 HydrophobicContact CG-CB 4.25Å; N195-H199 PolarHBondContact O-N 3.45Å; N195-H199 VanDerWaalsContact O-N 3.1Å; I196-H199 WeakPolarHBondContact O-CB 3.4Å; I196-H199 PolarHBondContact O-N 3.18Å; M197-H199 VanDerWaalsContact C-N 3.31Å; M197-H199 PolarHBondContact O-N 3.46Å; H199-N201 VanDerWaalsContact C-N 3.31Å; H199-N201 PolarHBondContact O-N 3.01Å; H199-Q202 PolarHBondContact O-N 3.47Å; H199-H203 AromaticContact CD2-CD2 3.8Å; H199-H203 AromaticContact CD2-NE2 3.86Å; H199-H203 AromaticContact CE1-CD2 3.46Å; H199-H203 PolarHBondContact CE1-CD2 2.86Å; H199-H203 VanDerWaalsContact CE1-CD2 3.46Å; H199-H203 AromaticContact CE1-NE2 3.81Å; H199-H203 AromaticContact ND1-CD2 3.85Å; H199-H203 AromaticContact NE2-CD2 3.49Å; H199-H203 PolarHBondContact NE2-CD2 3.5Å; H199-H203 AromaticContact NE2-NE2 3.4Å; H199-H203 PolarHBondContact NE2-NE2 3.41Å; H199-H203 PolarHBondContact O-CD2 3.08Å; H199-H203 VanDerWaalsContact O-CD2 3.26Å; H199-H203 PolarHBondContact O-N 2.91Å
200L94.4Very high92.7Very high0 Ų040.6 Ų40.60%023%0.225CC..Hα-helixtrans-59.8-44177.2-66174.8000111.2L138 W139 L166 T170 I196 M197 H203 G204 F205L138-L200 HydrophobicContact CB-CD1 4.33Å; L138-L200 HydrophobicContact CB-CD2 4.04Å; L138-L200 HydrophobicContact CD1-CD1 4.37Å; W139-L200 HydrophobicContact CB-CD2 4.38Å; W139-L200 HydrophobicContact CE3-CD2 4.19Å; L166-L200 HydrophobicContact CD2-CD1 3.8Å; T170-L200 HydrophobicContact CG2-CD1 4.36Å; I196-L200 HydrophobicContact CG2-CD1 4.43Å; I196-L200 WeakPolarHBondContact O-CG 3.23Å; I196-L200 PolarHBondContact O-N 2.93Å; M197-L200 PolarHBondContact O-N 3.07Å; M197-L200 HydrophobicContact SD-CD1 4.49Å; L200-H203 PolarHBondContact O-N 2.77Å; L200-G204 PolarHBondContact O-N 3.43Å; L200-F205 HydrophobicContact CB-CB 4.08Å; L200-F205 HydrophobicContact CB-CD2 4.41Å; L200-F205 HydrophobicContact CB-CG 4.24Å; L200-F205 VanDerWaalsContact O-CB 3.29Å; L200-F205 WeakPolarHBondContact O-CB 3.2Å; L200-F205 PolarHBondContact O-N 2.9Å; L200-F205 VanDerWaalsContact O-N 3.11Å
201N91.7Very high92.9Very high30 Ų3039.2 Ų39.216%0.1622%0.218CC..Hα-helixtrans-62-44.5178.6-71.9-17.6000112.6M197 G198 H199 H203 G204 F205 P239M197-N201 PolarHBondContact O-N 3.19Å; G198-N201 PolarHBondContact O-N 2.86Å; H199-N201 VanDerWaalsContact C-N 3.31Å; H199-N201 PolarHBondContact O-N 3.01Å; N201-H203 PolarHBondContact O-N 3.43Å; N201-G204 PolarHBondContact O-N 2.89Å; N201-F205 WeakPolarHBondContact OD1-CD1 3.29Å; N201-P239 WeakPolarHBondContact ND2-CB 3.48Å
202Q91.3Very high93.2Very high166 Ų16632.8 Ų32.878%0.77619%0.189SC*.Hα-helixtrans-59.6-29.2176.3-74.4171.9-1.100113G198 H199G198-Q202 WeakPolarHBondContact O-CG 3.12Å; G198-Q202 PolarHBondContact O-N 2.99Å; H199-Q202 PolarHBondContact O-N 3.47Å
203H91.8Very high93.3Very high100 Ų10031.8 Ų31.846%0.46318%0.183SC..THydrogen-bonded Turntrans-88.4-0.4177.3-78.2-72000114.2W139 H199 L200 N201W139-H203 HydrophobicContact CD2-CB 4.05Å; W139-H203 HydrophobicContact CE3-CB 3.72Å; W139-H203 HydrophobicContact CH2-CB 3.74Å; W139-H203 WeakPolarHBondContact CH2-O 3.25Å; W139-H203 HydrophobicContact CZ2-CB 4.01Å; W139-H203 HydrophobicContact CZ3-CB 3.55Å; H199-H203 AromaticContact CD2-CD2 3.8Å; H199-H203 AromaticContact CD2-NE2 3.86Å; H199-H203 AromaticContact CE1-CD2 3.46Å; H199-H203 PolarHBondContact CE1-CD2 2.86Å; H199-H203 VanDerWaalsContact CE1-CD2 3.46Å; H199-H203 AromaticContact CE1-NE2 3.81Å; H199-H203 AromaticContact ND1-CD2 3.85Å; H199-H203 AromaticContact NE2-CD2 3.49Å; H199-H203 PolarHBondContact NE2-CD2 3.5Å; H199-H203 AromaticContact NE2-NE2 3.4Å; H199-H203 PolarHBondContact NE2-NE2 3.41Å; H199-H203 PolarHBondContact O-CD2 3.08Å; H199-H203 VanDerWaalsContact O-CD2 3.26Å; H199-H203 PolarHBondContact O-N 2.91Å; L200-H203 PolarHBondContact O-N 2.77Å; N201-H203 PolarHBondContact O-N 3.43Å
204G91.8Very high93.4Very high27 Ų2732.8 Ų32.828%0.27819%0.189SC..THydrogen-bonded Turntrans98.536.6175.700000114.7L200 N201 Y206 S207 V208L200-G204 PolarHBondContact O-N 3.43Å; N201-G204 PolarHBondContact O-N 2.89Å; G204-Y206 VanDerWaalsContact C-N 3.34Å; G204-Y206 PolarHBondContact O-N 3.03Å; G204-S207 PolarHBondContact O-N 3.27Å; G204-V208 PolarHBondContact O-N 3.45Å
205F95.1Very high93.4Very high0 Ų034.3 Ų34.30%018%0.184CC..Hα-helixtrans-54.9-42.2177.4-177.7-122.2000114.3C142 L166 M197 L200 N201 S207 V208 L209 L235C142-F205 VanDerWaalsContact SG-CD2 3.6Å; L166-F205 HydrophobicContact CD1-CE2 4.08Å; L166-F205 HydrophobicContact CD2-CE2 4.34Å; M197-F205 HydrophobicContact SD-CE1 4.3Å; L200-F205 HydrophobicContact CB-CB 4.08Å; L200-F205 HydrophobicContact CB-CD2 4.41Å; L200-F205 HydrophobicContact CB-CG 4.24Å; L200-F205 VanDerWaalsContact O-CB 3.29Å; L200-F205 WeakPolarHBondContact O-CB 3.2Å; L200-F205 PolarHBondContact O-N 2.9Å; L200-F205 VanDerWaalsContact O-N 3.11Å; N201-F205 WeakPolarHBondContact OD1-CD1 3.29Å; F205-S207 VanDerWaalsContact C-N 3.32Å; F205-S207 PolarHBondContact O-N 3.28Å; F205-V208 VanDerWaalsContact O-CB 3.27Å; F205-V208 WeakPolarHBondContact O-CB 3.24Å; F205-V208 PolarHBondContact O-N 3.43Å; F205-V208 VanDerWaalsContact O-N 3.08Å; F205-L209 HydrophobicContact CD1-CD1 4.17Å; F205-L209 HydrophobicContact CE1-CD1 3.57Å; F205-L209 HydrophobicContact CE1-CG 4.2Å; F205-L209 HydrophobicContact CE2-CD1 4.4Å; F205-L209 HydrophobicContact CE2-CD2 4.27Å; F205-L209 HydrophobicContact CE2-CG 4.2Å; F205-L209 HydrophobicContact CZ-CD1 3.7Å; F205-L209 HydrophobicContact CZ-CD2 4.11Å; F205-L209 HydrophobicContact CZ-CG 3.98Å; F205-L209 PolarHBondContact O-N 2.95Å; F205-L209 VanDerWaalsContact O-N 3.11Å; F205-L235 HydrophobicContact CE1-CB 4.28Å; F205-L235 HydrophobicContact CZ-CB 3.97Å; F205-L235 HydrophobicContact CZ-CD1 4.5Å
206Y95Very high93.4Very high9 Ų930.9 Ų30.94%0.03517%0.165CC..Hα-helixtrans-61.8-38.4179.2-77.2-66.3000113.1G204 V208 L209 Q210 A236 V240 L249 P252 F253 I257G204-Y206 VanDerWaalsContact C-N 3.34Å; G204-Y206 PolarHBondContact O-N 3.03Å; Y206-V208 VanDerWaalsContact C-N 3.29Å; Y206-V208 PolarHBondContact O-N 3.22Å; Y206-L209 PolarHBondContact O-N 3.4Å; Y206-Q210 PolarHBondContact O-N 3.3Å; Y206-A236 PolarHBondContact OH-O 2.97Å; Y206-V240 VanDerWaalsContact OH-CG2 3.26Å; Y206-V240 WeakPolarHBondContact OH-CG2 3.48Å; Y206-L249 HydrophobicContact CE2-CD2 4.39Å; Y206-P252 HydrophobicContact CD2-CB 3.8Å; Y206-P252 HydrophobicContact CD2-CG 4.09Å; Y206-P252 HydrophobicContact CE2-CB 4.24Å; Y206-P252 HydrophobicContact CE2-CG 4.05Å; Y206-P252 HydrophobicContact CG-CB 4.31Å; Y206-F253 HydrophobicContact CE1-CB 4.49Å; Y206-F253 HydrophobicContact CE1-CD2 4.02Å; Y206-I257 HydrophobicContact CD1-CD1 4.1Å; Y206-I257 HydrophobicContact CD1-CG1 3.79Å; Y206-I257 HydrophobicContact CE1-CG1 4.17Å
207S94.9Very high93.3Very high41 Ų4130.9 Ų30.929%0.28717%0.165SC..Hα-helixtrans-63.1-35.2174.4169.50000112.1G204 F205 Q210 V211G204-S207 PolarHBondContact O-N 3.27Å; F205-S207 VanDerWaalsContact C-N 3.32Å; F205-S207 PolarHBondContact O-N 3.28Å; S207-Q210 PolarHBondContact O-N 3.02Å; S207-V211 WeakPolarHBondContact O-CG2 3.36Å; S207-V211 PolarHBondContact O-N 3Å
208V95.4Very high93.2Very high0 Ų030.7 Ų30.70%017%0.165CC..Hα-helixtrans-62-48.8173.61760000110.4W139 C142 L145 K146 G204 F205 Y206 V211 L212W139-V208 HydrophobicContact CH2-CG2 4.41Å; W139-V208 HydrophobicContact CZ3-CG2 4.46Å; C142-V208 HydrophobicContact CB-CB 4.43Å; C142-V208 HydrophobicContact CB-CG1 3.98Å; C142-V208 HydrophobicContact CB-CG2 3.86Å; C142-V208 WeakPolarHBondContact O-CG1 3.4Å; L145-V208 HydrophobicContact CB-CG1 3.9Å; K146-V208 HydrophobicContact CD-CG2 3.95Å; K146-V208 HydrophobicContact CG-CB 4.22Å; K146-V208 HydrophobicContact CG-CG1 4.12Å; K146-V208 HydrophobicContact CG-CG2 4.02Å; G204-V208 PolarHBondContact O-N 3.45Å; F205-V208 VanDerWaalsContact O-CB 3.27Å; F205-V208 WeakPolarHBondContact O-CB 3.24Å; F205-V208 PolarHBondContact O-N 3.43Å; F205-V208 VanDerWaalsContact O-N 3.08Å; Y206-V208 VanDerWaalsContact C-N 3.29Å; Y206-V208 PolarHBondContact O-N 3.22Å; V208-V211 PolarHBondContact O-N 2.85Å; V208-L212 PolarHBondContact O-N 3.07Å; V208-L212 VanDerWaalsContact O-N 3.14Å
209L95.8Very high93Very high0 Ų031.1 Ų31.10%016%0.158CC..Hα-helixtrans-65.4-38.7179.9-67.2-175.6000112F205 Y206 V211 L212 L213 A236 I257F205-L209 HydrophobicContact CD1-CD1 4.17Å; F205-L209 HydrophobicContact CE1-CD1 3.57Å; F205-L209 HydrophobicContact CE1-CG 4.2Å; F205-L209 HydrophobicContact CE2-CD1 4.4Å; F205-L209 HydrophobicContact CE2-CD2 4.27Å; F205-L209 HydrophobicContact CE2-CG 4.2Å; F205-L209 HydrophobicContact CZ-CD1 3.7Å; F205-L209 HydrophobicContact CZ-CD2 4.11Å; F205-L209 HydrophobicContact CZ-CG 3.98Å; F205-L209 PolarHBondContact O-N 2.95Å; F205-L209 VanDerWaalsContact O-N 3.11Å; Y206-L209 PolarHBondContact O-N 3.4Å; L209-V211 PolarHBondContact O-N 3.14Å; L209-L212 PolarHBondContact O-N 3.13Å; L209-L213 VanDerWaalsContact O-CB 3.29Å; L209-L213 WeakPolarHBondContact O-CB 3.29Å; L209-L213 VanDerWaalsContact O-CG 3.24Å; L209-L213 WeakPolarHBondContact O-CG 3.27Å; L209-L213 PolarHBondContact O-N 3.07Å; L209-A236 HydrophobicContact CD1-CB 3.77Å; L209-I257 HydrophobicContact CB-CD1 3.79Å; L209-I257 HydrophobicContact CD1-CD1 4.32Å
210Q94.8Very high92.5Very high40 Ų4032.9 Ų32.919%0.18717%0.173CC..Hα-helixtrans-55.4-49.5174.2-174.7-178.21300111.4Y206 S207 L212 L213 T214 H256 V260Y206-Q210 PolarHBondContact O-N 3.3Å; S207-Q210 PolarHBondContact O-N 3.02Å; Q210-L212 PolarHBondContact O-N 3.19Å; Q210-L213 PolarHBondContact O-N 2.81Å; Q210-T214 VanDerWaalsContact O-CB 3.23Å; Q210-T214 WeakPolarHBondContact O-CB 3.3Å; Q210-T214 PolarHBondContact O-N 3.36Å; Q210-T214 PolarHBondContact O-OG1 3.49Å; Q210-H256 WeakPolarHBondContact CA-O 2.86Å; Q210-H256 HydrophobicContact CB-CB 4.08Å; Q210-H256 WeakPolarHBondContact CB-O 3.36Å; Q210-H256 VanDerWaalsContact CG-O 3.31Å; Q210-H256 WeakPolarHBondContact CG-O 3.23Å; Q210-H256 PolarHBondContact OE1-ND1 3.21Å; Q210-V260 HydrophobicContact CG-CG2 4.49Å
211V93.6Very high92.1Very high42 Ų4243.2 Ų43.226%0.25521%0.212SC..Hα-helixtrans-61.7-44.9180172.40000111S207 V208 L209 R215S207-V211 WeakPolarHBondContact O-CG2 3.36Å; S207-V211 PolarHBondContact O-N 3Å; V208-V211 PolarHBondContact O-N 2.85Å; L209-V211 PolarHBondContact O-N 3.14Å; V211-R215 WeakPolarHBondContact O-CB 3.48Å; V211-R215 WeakPolarHBondContact O-CG 3.32Å; V211-R215 PolarHBondContact O-N 3.32Å; V211-R215 VanDerWaalsContact O-N 3.07Å
212L94.8Very high91.9Very high0 Ų043.7 Ų43.70%022%0.217CC..Hα-helixtrans-63.7-49179.3177.765000112.1L145 P150 I159 L163 V208 L209 Q210 G216 L224L145-L212 HydrophobicContact CD2-CD2 4.19Å; P150-L212 HydrophobicContact CG-CD1 4.27Å; I159-L212 HydrophobicContact CD1-CD1 3.87Å; I159-L212 HydrophobicContact CG1-CD1 4.09Å; I159-L212 HydrophobicContact CG2-CD1 3.87Å; I159-L212 HydrophobicContact CG2-CD2 4.21Å; L163-L212 HydrophobicContact CD1-CD2 4.15Å; L163-L212 HydrophobicContact CD2-CD2 4.11Å; L163-L212 HydrophobicContact CG-CD2 4.44Å; V208-L212 PolarHBondContact O-N 3.07Å; V208-L212 VanDerWaalsContact O-N 3.14Å; L209-L212 PolarHBondContact O-N 3.13Å; Q210-L212 PolarHBondContact O-N 3.19Å; L212-G216 PolarHBondContact O-N 3.38Å; L212-G216 VanDerWaalsContact O-N 3.07Å; L212-L224 HydrophobicContact CD1-CD2 4.46Å
213L94.8Very high91.9Very high0 Ų037.9 Ų37.90%019%0.194CC..Hα-helixtrans-65.7-44.2-179.2-70.2171.6000110.8L209 Q210 R215 G216 L217 L224 L229 A232 I257 V260L209-L213 VanDerWaalsContact O-CB 3.29Å; L209-L213 WeakPolarHBondContact O-CB 3.29Å; L209-L213 VanDerWaalsContact O-CG 3.24Å; L209-L213 WeakPolarHBondContact O-CG 3.27Å; L209-L213 PolarHBondContact O-N 3.07Å; Q210-L213 PolarHBondContact O-N 2.81Å; L213-R215 PolarHBondContact O-N 3.08Å; L213-G216 CarbonylContact O-C 3.59Å; L213-G216 PolarHBondContact O-N 2.74Å; L213-G216 VanDerWaalsContact O-N 3.13Å; L213-L217 HydrophobicContact CB-CD1 4.41Å; L213-L217 HydrophobicContact CD2-CD1 4.16Å; L213-L217 WeakPolarHBondContact O-CB 3.48Å; L213-L217 VanDerWaalsContact O-CG 3.29Å; L213-L217 WeakPolarHBondContact O-CG 3.41Å; L213-L217 PolarHBondContact O-N 3.14Å; L213-L224 HydrophobicContact CD2-CD1 4.09Å; L213-L229 HydrophobicContact CD2-CD1 3.87Å; L213-A232 HydrophobicContact CD2-CB 4.08Å; L213-I257 HydrophobicContact CD1-CD1 3.93Å; L213-I257 HydrophobicContact CD1-CG2 4.41Å; L213-V260 HydrophobicContact CB-CG1 3.98Å; L213-V260 HydrophobicContact CB-CG2 3.98Å; L213-V260 HydrophobicContact CD1-CG2 4.4Å
214T92.6Very high91.9Very high28 Ų2833.6 Ų33.617%0.17217%0.174CC..Hα-helixtrans-60.9-47.7178.3-54.20000111.1Q210 G216 L217 A218Q210-T214 VanDerWaalsContact O-CB 3.23Å; Q210-T214 WeakPolarHBondContact O-CB 3.3Å; Q210-T214 PolarHBondContact O-N 3.36Å; Q210-T214 PolarHBondContact O-OG1 3.49Å; T214-G216 PolarHBondContact O-N 2.9Å; T214-L217 PolarHBondContact O-N 3.48Å; T214-A218 HydrophobicContact CG2-CB 4.06Å; T214-A218 WeakPolarHBondContact O-CB 3.44Å; T214-A218 PolarHBondContact O-N 2.69Å
215R90.9Very high91.9Very high87 Ų8735 Ų3533%0.32818%0.18SC..Hα-helixtrans-60.8-34175.9-73-179.5-177.2160.810.5113K146 Q147 L148 P150 V211 L213 R219K146-R215 VanDerWaalsContact O-CZ 3.24Å; K146-R215 PolarHBondContact O-NH1 2.84Å; K146-R215 PolarHBondContact O-NH2 3.03Å; Q147-R215 PolarHBondContact O-NH1 3.13Å; L148-R215 PolarHBondContact O-NH1 2.99Å; P150-R215 HydrophobicContact CG-CB 4.3Å; V211-R215 WeakPolarHBondContact O-CB 3.48Å; V211-R215 WeakPolarHBondContact O-CG 3.32Å; V211-R215 PolarHBondContact O-N 3.32Å; V211-R215 VanDerWaalsContact O-N 3.07Å; L213-R215 PolarHBondContact O-N 3.08Å; R215-R219 PolarHBondContact O-NE 3.46Å; R215-R219 PolarHBondContact O-NH2 3.46Å
216G90.8Very high91.8Very high0 Ų040 Ų400%020%0.202CC..Hα-helixtrans-81.7-29.9-178.400000115.2L212 L213 T214 C223L212-G216 PolarHBondContact O-N 3.38Å; L212-G216 VanDerWaalsContact O-N 3.07Å; L213-G216 CarbonylContact O-C 3.59Å; L213-G216 PolarHBondContact O-N 2.74Å; L213-G216 VanDerWaalsContact O-N 3.13Å; T214-G216 PolarHBondContact O-N 2.9Å; G216-C223 PolarHBondContact O-N 3.14Å
217L92.3Very high91.6Very high0 Ų041.8 Ų41.80%022%0.223CC..Hα-helixtrans-118.4-20.8-166.8-58.6-176.1000114.5L213 T214 R219 P222 L224 L229 V260 L263 H266L213-L217 HydrophobicContact CB-CD1 4.41Å; L213-L217 HydrophobicContact CD2-CD1 4.16Å; L213-L217 WeakPolarHBondContact O-CB 3.48Å; L213-L217 VanDerWaalsContact O-CG 3.29Å; L213-L217 WeakPolarHBondContact O-CG 3.41Å; L213-L217 PolarHBondContact O-N 3.14Å; T214-L217 PolarHBondContact O-N 3.48Å; L217-R219 PolarHBondContact O-N 2.84Å; L217-P222 HydrophobicContact CD2-CB 3.72Å; L217-L224 HydrophobicContact CD2-CD1 4.25Å; L217-L224 HydrophobicContact CG-CD1 4.3Å; L217-L229 HydrophobicContact CD1-CD1 4.12Å; L217-L229 HydrophobicContact CD2-CD1 4.34Å; L217-V260 HydrophobicContact CB-CG1 4.34Å; L217-V260 HydrophobicContact CD1-CG1 4.16Å; L217-L263 HydrophobicContact CD1-CD1 3.65Å; L217-H266 HydrophobicContact CD1-CB 4.46Å; L217-H266 HydrophobicContact CD2-CB 3.9Å; L217-H266 PolarHBondContact O-NE2 3.07Å; L217-H266 VanDerWaalsContact O-NE2 3.14Å
218A89.6Confident91.6Very high5 Ų540 Ų404%0.04121%0.21CC..SBendtrans-74.467.5177.900000111T214 P261 G373T214-A218 HydrophobicContact CG2-CB 4.06Å; T214-A218 WeakPolarHBondContact O-CB 3.44Å; T214-A218 PolarHBondContact O-N 2.69Å; A218-P261 HydrophobicContact CB-CB 4.38Å; A218-P261 HydrophobicContact CB-CG 4.13Å; A218-G373 CarbonylContact C-O 3.54Å
219R87.8Confident91.6Very high37 Ų3740 Ų4014%0.1421%0.21CC..SBendtrans-173.1161.2-17754.8-175.776.1-143.81.5110.2E151 R215 L217 R221 C223E151-R219 VanDerWaalsContact CG-NH1 3.35Å; E151-R219 IonicContact OE1-CZ 3.21Å; E151-R219 IonicContact OE1-NH1 2.79Å; E151-R219 IonicContact OE1-NH2 2.95Å; E151-R219 PolarHBondContact OE1-NH2 2.83Å; E151-R219 IonicContact OE2-CZ 3.81Å; E151-R219 IonicContact OE2-NH1 3.44Å; E151-R219 PolarHBondContact OE2-NH1 2.63Å; E151-R219 IonicContact OE2-NH2 2.69Å; R215-R219 PolarHBondContact O-NE 3.46Å; R215-R219 PolarHBondContact O-NH2 3.46Å; L217-R219 PolarHBondContact O-N 2.84Å; R219-R221 WeakPolarHBondContact CD-O 3.32Å; R219-R221 WeakPolarHBondContact CG-O 3.29Å; R219-R221 PolarHBondContact O-N 3.29Å; R219-C223 WeakPolarHBondContact CD-SG 3.39Å; R219-C223 VanDerWaalsContact CZ-SG 3.56Å; R219-C223 PolarHBondContact NH1-SG 3.44Å
220P83.8Confident91.5Very high79 Ų7941.2 Ų41.251%0.51322%0.218SC..SBendtrans-62.7-36.3-179.6-25.534.4000114.7
221R85.4Confident91.5Very high216 Ų21640.1 Ų40.182%0.81522%0.216SC*.SBendtrans-118.3122.5178.8-69.8-174.7-179.8178.51110.2R219R219-R221 WeakPolarHBondContact CD-O 3.32Å; R219-R221 WeakPolarHBondContact CG-O 3.29Å; R219-R221 PolarHBondContact O-N 3.29Å
222P88.4Confident91.6Very high41 Ų4138.1 Ų38.127%0.26620%0.204SC..  trans-66.8138.8-174.727.2-32.9000111.4L217 V270L217-P222 HydrophobicContact CD2-CB 3.72Å; P222-V270 HydrophobicContact CG-CG2 3.63Å
223C90.7Very high91.6Very high43 Ų4338.2 Ų38.229%0.29120%0.204SC..  trans-88.5-13.2175.5-70.50000113.2P150 E151 G216 R219P150-C223 HydrophobicContact CB-CB 3.99Å; E151-C223 HydrophobicContact CG-CB 4.42Å; G216-C223 PolarHBondContact O-N 3.14Å; R219-C223 WeakPolarHBondContact CD-SG 3.39Å; R219-C223 VanDerWaalsContact CZ-SG 3.56Å; R219-C223 PolarHBondContact NH1-SG 3.44Å
224L91.9Very high91.5Very high10 Ų1039.4 Ų39.45%0.05221%0.212CC..SBendtrans-80.5131.2177.3-62.8171.7000110.2P150 L212 L213 L217 T228 L229P150-L224 HydrophobicContact CB-CD2 3.88Å; P150-L224 HydrophobicContact CG-CD2 3.89Å; L212-L224 HydrophobicContact CD1-CD2 4.46Å; L213-L224 HydrophobicContact CD2-CD1 4.09Å; L217-L224 HydrophobicContact CD2-CD1 4.25Å; L217-L224 HydrophobicContact CG-CD1 4.3Å; L224-T228 HydrophobicContact CD2-CG2 3.77Å; L224-L229 HydrophobicContact CB-CB 4.25Å; L224-L229 HydrophobicContact CD1-CD1 4.28Å
225S91.8Very high91.6Very high57 Ų5738 Ų3840%0.39920%0.204SC..  trans-65.7160.3173.882.30000111.6G227 T228 L229S225-G227 PolarHBondContact O-N 3.18Å; S225-G227 PolarHBondContact OG-N 2.86Å; S225-T228 PolarHBondContact O-N 3.22Å; S225-T228 VanDerWaalsContact O-N 3.08Å; S225-T228 PolarHBondContact OG-N 3.08Å; S225-T228 PolarHBondContact OG-OG1 3.37Å; S225-L229 PolarHBondContact O-N 3.36Å
226K93.1Very high91.8Very high104 Ų10433.9 Ų33.945%0.45219%0.189SC..Hα-helixtrans-48.9-45.2174.4-174.8-179.9179.2-177.30112T230 V270 T271 E273K226-T230 VanDerWaalsContact O-CB 3.22Å; K226-T230 WeakPolarHBondContact O-CB 3.46Å; K226-T230 PolarHBondContact O-N 3.26Å; K226-T230 PolarHBondContact O-OG1 3.49Å; K226-V270 HydrophobicContact CB-CG1 4.07Å; K226-V270 HydrophobicContact CG-CG1 4.48Å; K226-V270 WeakPolarHBondContact CG-O 3.27Å; K226-T271 HydrophobicContact CG-CG2 3.74Å; K226-T271 WeakPolarHBondContact O-CG2 3.26Å; K226-E273 IonicContact NZ-OE1 2.6Å; K226-E273 PolarHBondContact NZ-OE1 3.35Å
227G91.6Very high91.9Very high47 Ų4734.3 Ų34.349%0.48519%0.191SC..Hα-helixtrans-67.2-43.9179.300000113S225 T230 A231S225-G227 PolarHBondContact O-N 3.18Å; S225-G227 PolarHBondContact OG-N 2.86Å; G227-T230 PolarHBondContact O-N 3.49Å; G227-A231 WeakPolarHBondContact O-CB 3.26Å; G227-A231 PolarHBondContact O-N 3.11Å
228T94.1Very high91.8Very high3 Ų337 Ų372%0.01820%0.201CC..Hα-helixtrans-65.3-46.7-179-45.80000111.7I159 T160 L163 L224 S225 A231 A232I159-T228 HydrophobicContact CG2-CG2 3.52Å; T160-T228 PolarHBondContact OG1-OG1 2.85Å; L163-T228 HydrophobicContact CD1-CG2 3.49Å; L163-T228 VanDerWaalsContact CD1-CG2 3.49Å; L224-T228 HydrophobicContact CD2-CG2 3.77Å; S225-T228 PolarHBondContact O-N 3.22Å; S225-T228 VanDerWaalsContact O-N 3.08Å; S225-T228 PolarHBondContact OG-N 3.08Å; S225-T228 PolarHBondContact OG-OG1 3.37Å; T228-A231 PolarHBondContact O-N 3.41Å; T228-A232 WeakPolarHBondContact O-CB 3.44Å; T228-A232 PolarHBondContact O-N 3.15Å
229L95.1Very high91.9Very high0 Ų037 Ų370%020%0.2CC..Hα-helixtrans-65-42.6177.6-17859.5000111.2L213 L217 L224 S225 A231 A232 F233 L267 V270 T271L213-L229 HydrophobicContact CD2-CD1 3.87Å; L217-L229 HydrophobicContact CD1-CD1 4.12Å; L217-L229 HydrophobicContact CD2-CD1 4.34Å; L224-L229 HydrophobicContact CB-CB 4.25Å; L224-L229 HydrophobicContact CD1-CD1 4.28Å; S225-L229 PolarHBondContact O-N 3.36Å; L229-A231 VanDerWaalsContact C-N 3.34Å; L229-A231 PolarHBondContact O-N 3.46Å; L229-A232 PolarHBondContact O-N 3.38Å; L229-F233 WeakPolarHBondContact O-CB 3.25Å; L229-F233 PolarHBondContact O-N 3.11Å; L229-L267 HydrophobicContact CD1-CD2 4.35Å; L229-L267 HydrophobicContact CD2-CD2 4.18Å; L229-L267 HydrophobicContact CG-CD2 4.11Å; L229-V270 HydrophobicContact CD2-CB 4.03Å; L229-V270 HydrophobicContact CD2-CG1 4.3Å; L229-T271 HydrophobicContact CB-CG2 4.4Å; L229-T271 HydrophobicContact CD2-CG2 4.36Å; L229-T271 HydrophobicContact CG-CG2 4.46Å
230T94.4Very high92.1Very high26 Ų2635.2 Ų35.216%0.1619%0.194CC..Hα-helixtrans-57-47.1174.6-65.40000111.5K226 G227 S234 T271 R274K226-T230 VanDerWaalsContact O-CB 3.22Å; K226-T230 WeakPolarHBondContact O-CB 3.46Å; K226-T230 PolarHBondContact O-N 3.26Å; K226-T230 PolarHBondContact O-OG1 3.49Å; G227-T230 PolarHBondContact O-N 3.49Å; T230-S234 WeakPolarHBondContact O-CB 3.49Å; T230-S234 PolarHBondContact O-N 3.39Å; T230-S234 PolarHBondContact O-OG 3.26Å; T230-T271 WeakPolarHBondContact OG1-CG2 3.38Å; T230-R274 HydrophobicContact CG2-CG 4.42Å
231A94.4Very high92.3Very high18 Ų1834.3 Ų34.315%0.14918%0.184CC..Hα-helixtrans-65.4-49.1-179.800000111.7L163 V167 G227 T228 L229 F233 S234 L235L163-A231 HydrophobicContact CB-CB 4.22Å; L163-A231 HydrophobicContact CD1-CB 4.35Å; V167-A231 HydrophobicContact CG2-CB 3.94Å; G227-A231 WeakPolarHBondContact O-CB 3.26Å; G227-A231 PolarHBondContact O-N 3.11Å; T228-A231 PolarHBondContact O-N 3.41Å; L229-A231 VanDerWaalsContact C-N 3.34Å; L229-A231 PolarHBondContact O-N 3.46Å; A231-F233 PolarHBondContact O-N 3.4Å; A231-S234 PolarHBondContact O-N 2.88Å; A231-L235 WeakPolarHBondContact O-CB 3.23Å; A231-L235 VanDerWaalsContact O-CG 3.25Å; A231-L235 WeakPolarHBondContact O-CG 3.47Å; A231-L235 PolarHBondContact O-N 2.75Å
232A95.6Very high92.4Very high0 Ų027.5 Ų27.50%017%0.174CC..Hα-helixtrans-59.1-46.1179.500000111.9L163 L213 T228 L229 L235 A236L163-A232 HydrophobicContact CD1-CB 4.25Å; L213-A232 HydrophobicContact CD2-CB 4.08Å; T228-A232 WeakPolarHBondContact O-CB 3.44Å; T228-A232 PolarHBondContact O-N 3.15Å; L229-A232 PolarHBondContact O-N 3.38Å; A232-L235 PolarHBondContact O-N 3.5Å; A232-A236 PolarHBondContact O-N 3.35Å
233F95.1Very high92.3Very high1 Ų127.4 Ų27.40%0.00418%0.177CC..Hα-helixtrans-69.8-40.3179.5-167.3-102.9000112.7L229 A231 L235 A236 L237 F253 I257 L263 L267 R274 L278L229-F233 WeakPolarHBondContact O-CB 3.25Å; L229-F233 PolarHBondContact O-N 3.11Å; A231-F233 PolarHBondContact O-N 3.4Å; F233-L235 VanDerWaalsContact C-N 3.3Å; F233-L235 PolarHBondContact O-N 2.95Å; F233-A236 WeakPolarHBondContact O-CB 3.34Å; F233-A236 PolarHBondContact O-N 3.32Å; F233-A236 VanDerWaalsContact O-N 3.15Å; F233-L237 PolarHBondContact O-N 3Å; F233-F253 HydrophobicContact CE2-CZ 4.24Å; F233-F253 HydrophobicContact CZ-CZ 4.35Å; F233-I257 HydrophobicContact CD2-CG2 4.4Å; F233-I257 HydrophobicContact CE2-CG2 4.19Å; F233-L263 HydrophobicContact CE2-CD2 4.15Å; F233-L267 HydrophobicContact CB-CD2 4.35Å; F233-L267 HydrophobicContact CD1-CD1 4.49Å; F233-L267 HydrophobicContact CD1-CD2 4.44Å; F233-L267 HydrophobicContact CD2-CD1 3.94Å; F233-L267 HydrophobicContact CD2-CD2 4.28Å; F233-L267 HydrophobicContact CE1-CD1 4.24Å; F233-L267 HydrophobicContact CE2-CD1 3.67Å; F233-L267 HydrophobicContact CG-CD1 4.35Å; F233-L267 HydrophobicContact CG-CD2 4.09Å; F233-L267 HydrophobicContact CZ-CD1 3.82Å; F233-R274 HydrophobicContact CD1-CB 3.99Å; F233-R274 HydrophobicContact CD1-CG 4.49Å; F233-R274 HydrophobicContact CE1-CB 4.37Å; F233-L278 HydrophobicContact CE1-CD1 4.21Å; F233-L278 HydrophobicContact CE1-CD2 4.02Å; F233-L278 HydrophobicContact CE1-CG 4.11Å; F233-L278 HydrophobicContact CZ-CD1 3.81Å; F233-L278 HydrophobicContact CZ-CD2 3.8Å; F233-L278 HydrophobicContact CZ-CG 4.07Å
234S93.2Very high92.2Very high25 Ų2533.7 Ų33.718%0.17520%0.202CC..Hα-helixtrans-63.1-38.7176.5-59.20000111.7T230 A231 L237 R238 R274T230-S234 WeakPolarHBondContact O-CB 3.49Å; T230-S234 PolarHBondContact O-N 3.39Å; T230-S234 PolarHBondContact O-OG 3.26Å; A231-S234 PolarHBondContact O-N 2.88Å; S234-L237 PolarHBondContact O-N 3.42Å; S234-R238 WeakPolarHBondContact O-CB 3.19Å; S234-R238 PolarHBondContact O-N 3.4Å; S234-R274 PolarHBondContact OG-NH1 3.25Å
235L94.6Very high92.1Very high0 Ų034.7 Ų34.70%021%0.206CC..Hα-helixtrans-66-36.8174.1-75.5169.1000112.3L163 L166 V167 T170 M197 F205 A231 A232 F233 P239L163-L235 HydrophobicContact CD2-CD1 3.93Å; L166-L235 HydrophobicContact CB-CD1 3.65Å; L166-L235 HydrophobicContact CB-CD2 4.06Å; L166-L235 HydrophobicContact CD1-CD1 4.26Å; V167-L235 HydrophobicContact CG2-CD1 3.92Å; V167-L235 HydrophobicContact CG2-CD2 4.13Å; V167-L235 HydrophobicContact CG2-CG 3.9Å; T170-L235 WeakPolarHBondContact OG1-CD2 3.38Å; M197-L235 HydrophobicContact CE-CD2 4.26Å; F205-L235 HydrophobicContact CE1-CB 4.28Å; F205-L235 HydrophobicContact CZ-CB 3.97Å; F205-L235 HydrophobicContact CZ-CD1 4.5Å; A231-L235 WeakPolarHBondContact O-CB 3.23Å; A231-L235 VanDerWaalsContact O-CG 3.25Å; A231-L235 WeakPolarHBondContact O-CG 3.47Å; A231-L235 PolarHBondContact O-N 2.75Å; A232-L235 PolarHBondContact O-N 3.5Å; F233-L235 VanDerWaalsContact C-N 3.3Å; F233-L235 PolarHBondContact O-N 2.95Å; L235-P239 WeakPolarHBondContact O-CD 3.49Å
236A94.7Very high92Very high0 Ų034 Ų340%020%0.201CC..Hα-helixtrans-66.2-39.317500000112.6Y206 L209 A232 F233 P239 F253 I257Y206-A236 PolarHBondContact OH-O 2.97Å; L209-A236 HydrophobicContact CD1-CB 3.77Å; A232-A236 PolarHBondContact O-N 3.35Å; F233-A236 WeakPolarHBondContact O-CB 3.34Å; F233-A236 PolarHBondContact O-N 3.32Å; F233-A236 VanDerWaalsContact O-N 3.15Å; A236-P239 WeakPolarHBondContact O-CD 3.38Å; A236-F253 HydrophobicContact CB-CE2 4.02Å; A236-I257 HydrophobicContact CB-CD1 3.85Å; A236-I257 HydrophobicContact CB-CG1 3.97Å; A236-I257 HydrophobicContact CB-CG2 4.32Å
237L92.6Very high91.7Very high8 Ų832.8 Ų32.84%0.04220%0.199CC..Hα-helixtrans-80.4-31.8-175-17063.4000112.9F233 S234 V240 I241 F253 V277 L278 M283F233-L237 PolarHBondContact O-N 3Å; S234-L237 PolarHBondContact O-N 3.42Å; L237-V240 WeakPolarHBondContact O-CB 3.45Å; L237-V240 PolarHBondContact O-N 3.19Å; L237-V240 VanDerWaalsContact O-N 3.1Å; L237-I241 HydrophobicContact CD1-CG1 4.48Å; L237-I241 HydrophobicContact CD2-CD1 3.83Å; L237-I241 HydrophobicContact CG-CD1 3.65Å; L237-I241 HydrophobicContact CG-CG1 4.01Å; L237-I241 PolarHBondContact O-N 3.13Å; L237-F253 HydrophobicContact CD1-CE2 4.29Å; L237-F253 HydrophobicContact CD1-CZ 4.28Å; L237-V277 HydrophobicContact CD2-CG1 3.71Å; L237-L278 HydrophobicContact CD1-CD2 4.09Å; L237-L278 HydrophobicContact CD2-CD2 4.19Å; L237-M283 HydrophobicContact CD1-CE 3.95Å; L237-M283 HydrophobicContact CD1-SD 4.32Å
238R90.8Very high91.6Very high57 Ų5737.3 Ų37.322%0.21521%0.212CC..Hα-helixtrans-54.2-46.8-175176.7177.2-72.4161.8-3.9114.4T170 D171 M197 S234 V240 I241 A242T170-R238 VanDerWaalsContact C-NH1 3.28Å; T170-R238 WeakPolarHBondContact O-CD 3.34Å; T170-R238 PolarHBondContact O-NH1 3.37Å; T170-R238 PolarHBondContact OG1-NH1 3.39Å; D171-R238 IonicContact OD2-CZ 3.95Å; D171-R238 IonicContact OD2-NH2 2.86Å; D171-R238 PolarHBondContact OD2-NH2 3.1Å; M197-R238 HydrophobicContact CE-CB 4.36Å; M197-R238 HydrophobicContact CE-CG 4.11Å; S234-R238 WeakPolarHBondContact O-CB 3.19Å; S234-R238 PolarHBondContact O-N 3.4Å; R238-V240 VanDerWaalsContact C-N 3.32Å; R238-V240 PolarHBondContact O-N 3.03Å; R238-I241 PolarHBondContact O-N 3.32Å; R238-A242 WeakPolarHBondContact O-CB 3.49Å; R238-A242 PolarHBondContact O-N 3.03Å
239P90.9Very high91.5Very high5 Ų538.6 Ų38.63%0.03222%0.219CC..Hα-helixtrans-62-39.4177-17.426.1000113.1M197 N201 L235 A236 A242 A243 L249M197-P239 HydrophobicContact CE-CG 4.43Å; M197-P239 HydrophobicContact CG-CB 4.16Å; M197-P239 HydrophobicContact CG-CG 3.67Å; M197-P239 HydrophobicContact SD-CG 3.92Å; N201-P239 WeakPolarHBondContact ND2-CB 3.48Å; L235-P239 WeakPolarHBondContact O-CD 3.49Å; A236-P239 WeakPolarHBondContact O-CD 3.38Å; P239-A242 PolarHBondContact O-N 3.41Å; P239-A243 WeakPolarHBondContact O-CB 3.2Å; P239-A243 PolarHBondContact O-N 3.47Å; P239-L249 HydrophobicContact CB-CD1 4.01Å; P239-L249 WeakPolarHBondContact O-CD1 3.33Å
240V91.4Very high91.4Very high0 Ų039 Ų390%022%0.221CC..Hα-helixtrans-64-45.3-179.8-170.20000110.2Y206 L237 R238 A243 Q244 F245 L249 I250 F253Y206-V240 VanDerWaalsContact OH-CG2 3.26Å; Y206-V240 WeakPolarHBondContact OH-CG2 3.48Å; L237-V240 WeakPolarHBondContact O-CB 3.45Å; L237-V240 PolarHBondContact O-N 3.19Å; L237-V240 VanDerWaalsContact O-N 3.1Å; R238-V240 VanDerWaalsContact C-N 3.32Å; R238-V240 PolarHBondContact O-N 3.03Å; V240-A243 PolarHBondContact O-N 2.9Å; V240-Q244 PolarHBondContact O-N 2.68Å; V240-F245 HydrophobicContact CG1-CB 4.48Å; V240-F245 HydrophobicContact CG1-CD1 3.6Å; V240-F245 HydrophobicContact CG1-CE1 4.19Å; V240-F245 HydrophobicContact CG1-CG 4.4Å; V240-F245 PolarHBondContact O-N 2.87Å; V240-L249 HydrophobicContact CG2-CB 4.35Å; V240-I250 HydrophobicContact CG1-CG1 4.39Å; V240-F253 HydrophobicContact CG2-CB 4.12Å; V240-F253 HydrophobicContact CG2-CD2 3.75Å; V240-F253 HydrophobicContact CG2-CG 4.13Å
241I89.5Confident91.4Very high59 Ų5941.7 Ų41.730%0.30323%0.228SC..Hα-helixtrans-63-47.1175.7-64.7171.6000110.9L237 R238 A243 Q244 F245L237-I241 HydrophobicContact CD1-CG1 4.48Å; L237-I241 HydrophobicContact CD2-CD1 3.83Å; L237-I241 HydrophobicContact CG-CD1 3.65Å; L237-I241 HydrophobicContact CG-CG1 4.01Å; L237-I241 PolarHBondContact O-N 3.13Å; R238-I241 PolarHBondContact O-N 3.32Å; I241-A243 VanDerWaalsContact C-N 3.27Å; I241-A243 PolarHBondContact O-N 3.29Å; I241-Q244 PolarHBondContact O-N 3.37Å; I241-F245 HydrophobicContact CG1-CE1 4.13Å; I241-F245 HydrophobicContact CG1-CZ 3.99Å
242A86.6Confident91.4Very high73 Ų7342 Ų4260%0.60323%0.229SC*.Hα-helixtrans-62.7-33.1-176.900000112.9R238 P239 Q244R238-A242 WeakPolarHBondContact O-CB 3.49Å; R238-A242 PolarHBondContact O-N 3.03Å; P239-A242 PolarHBondContact O-N 3.41Å; A242-Q244 VanDerWaalsContact C-N 3.27Å; A242-Q244 PolarHBondContact O-N 3.14Å
243A87.1Confident91.4Very high40 Ų4042 Ų4233%0.33123%0.229SC..THydrogen-bonded Turntrans-90.718.1175.600000113.4P239 V240 I241 F245 S246 L249P239-A243 WeakPolarHBondContact O-CB 3.2Å; P239-A243 PolarHBondContact O-N 3.47Å; V240-A243 PolarHBondContact O-N 2.9Å; I241-A243 VanDerWaalsContact C-N 3.27Å; I241-A243 PolarHBondContact O-N 3.29Å; A243-F245 PolarHBondContact O-N 3.17Å; A243-F245 VanDerWaalsContact O-N 3.16Å; A243-S246 PolarHBondContact O-N 3.16Å; A243-S246 VanDerWaalsContact O-N 3.12Å; A243-L249 HydrophobicContact CB-CD1 3.47Å; A243-L249 VanDerWaalsContact CB-CD1 3.47Å; A243-L249 HydrophobicContact CB-CG 4.43Å
244Q87.6Confident91.4Very high174 Ų17442 Ų4281%0.81323%0.229SC*.THydrogen-bonded Turntrans50.541.2-180-60.9-178.1-15.400113.2V240 I241 A242 S246V240-Q244 PolarHBondContact O-N 2.68Å; I241-Q244 PolarHBondContact O-N 3.37Å; A242-Q244 VanDerWaalsContact C-N 3.27Å; A242-Q244 PolarHBondContact O-N 3.14Å; Q244-S246 VanDerWaalsContact C-N 3.34Å; Q244-S246 PolarHBondContact O-N 3.3Å
245F89.8Confident91.5Very high32 Ų3241.1 Ų41.114%0.1422%0.222CC..THydrogen-bonded Turntrans61.537.4177.9-46.3-85.1000113.8V240 I241 A243 I250 H281 M283 K286V240-F245 HydrophobicContact CG1-CB 4.48Å; V240-F245 HydrophobicContact CG1-CD1 3.6Å; V240-F245 HydrophobicContact CG1-CE1 4.19Å; V240-F245 HydrophobicContact CG1-CG 4.4Å; V240-F245 PolarHBondContact O-N 2.87Å; I241-F245 HydrophobicContact CG1-CE1 4.13Å; I241-F245 HydrophobicContact CG1-CZ 3.99Å; A243-F245 PolarHBondContact O-N 3.17Å; A243-F245 VanDerWaalsContact O-N 3.16Å; F245-I250 HydrophobicContact CB-CD1 4.17Å; F245-I250 WeakPolarHBondContact O-CD1 3.3Å; F245-H281 HydrophobicContact CE1-CB 4.28Å; F245-H281 HydrophobicContact CZ-CB 3.81Å; F245-H281 AromaticContact CZ-CD2 3.63Å; F245-H281 AromaticContact CZ-CG 3.96Å; F245-M283 HydrophobicContact CD1-CE 4.3Å; F245-M283 HydrophobicContact CD1-SD 3.56Å; F245-M283 VanDerWaalsContact CD1-SD 3.56Å; F245-M283 HydrophobicContact CE1-CE 4.29Å; F245-M283 HydrophobicContact CE1-SD 3.2Å; F245-M283 WeakPolarHBondContact CE1-SD 3.36Å; F245-M283 HydrophobicContact CZ-SD 4.23Å; F245-K286 HydrophobicContact CB-CD 3.92Å; F245-K286 HydrophobicContact CD1-CD 3.74Å; F245-K286 HydrophobicContact CD2-CD 4.01Å; F245-K286 HydrophobicContact CE1-CD 4.35Å; F245-K286 HydrophobicContact CG-CD 3.59Å
246S90.6Very high91.5Very high43 Ų4343.4 Ų43.430%0.30123%0.233SC..  trans-58.4142.2172.963.40000112.7A243 Q244 N248 L249 I250A243-S246 PolarHBondContact O-N 3.16Å; A243-S246 VanDerWaalsContact O-N 3.12Å; Q244-S246 VanDerWaalsContact C-N 3.34Å; Q244-S246 PolarHBondContact O-N 3.3Å; S246-N248 PolarHBondContact O-N 3.42Å; S246-N248 VanDerWaalsContact O-N 3.11Å; S246-L249 PolarHBondContact O-N 3.03Å; S246-I250 PolarHBondContact O-N 3.06Å
247D86.9Confident91.6Very high78 Ų7843.4 Ų43.442%0.41723%0.233SC..Hα-helixtrans-49.7-38.4178.4-77.823.3000113.1L249 I250 R251 F290 R296D247-L249 PolarHBondContact O-N 2.83Å; D247-L249 VanDerWaalsContact O-N 3.15Å; D247-I250 PolarHBondContact O-N 3.04Å; D247-R251 PolarHBondContact O-N 3.43Å; D247-R251 VanDerWaalsContact O-N 3.08Å; D247-F290 HydrophobicContact CB-CD2 4.22Å; D247-F290 HydrophobicContact CB-CE2 3.73Å; D247-R296 IonicContact OD2-CZ 2.74Å; D247-R296 IonicContact OD2-NH1 3.94Å; D247-R296 PolarHBondContact OD2-NH1 3.48Å
248N88.8Confident91.8Very high141 Ų14143 Ų4375%0.75423%0.231SC*.Hα-helixtrans-59.7-24.4177.6-71-28000114S246 P252S246-N248 PolarHBondContact O-N 3.42Å; S246-N248 VanDerWaalsContact O-N 3.11Å; N248-P252 WeakPolarHBondContact O-CD 3.47Å; N248-P252 VanDerWaalsContact O-CG 3.31Å; N248-P252 WeakPolarHBondContact O-CG 3.23Å
249L91.4Very high92Very high31 Ų3140.3 Ų40.316%0.16222%0.221CC..Hα-helixtrans-107.4-24.6177.1-63.9-173.5000113.2Y206 P239 V240 A243 S246 D247 P252 F253Y206-L249 HydrophobicContact CE2-CD2 4.39Å; P239-L249 HydrophobicContact CB-CD1 4.01Å; P239-L249 WeakPolarHBondContact O-CD1 3.33Å; V240-L249 HydrophobicContact CG2-CB 4.35Å; A243-L249 HydrophobicContact CB-CD1 3.47Å; A243-L249 VanDerWaalsContact CB-CD1 3.47Å; A243-L249 HydrophobicContact CB-CG 4.43Å; S246-L249 PolarHBondContact O-N 3.03Å; D247-L249 PolarHBondContact O-N 2.83Å; D247-L249 VanDerWaalsContact O-N 3.15Å; L249-P252 WeakPolarHBondContact O-CD 3.42Å; L249-P252 WeakPolarHBondContact O-CG 3.38Å; L249-F253 VanDerWaalsContact O-CB 3.29Å; L249-F253 WeakPolarHBondContact O-CB 3.44Å; L249-F253 PolarHBondContact O-N 3.02Å
250I93.4Very high92.2Very high7 Ų740.1 Ų40.14%0.03622%0.219CC..Hα-helixtrans-63.5-47171.7-68.7179.5000110.3V240 F245 S246 D247 F253 L254 F287 F290V240-I250 HydrophobicContact CG1-CG1 4.39Å; F245-I250 HydrophobicContact CB-CD1 4.17Å; F245-I250 WeakPolarHBondContact O-CD1 3.3Å; S246-I250 PolarHBondContact O-N 3.06Å; D247-I250 PolarHBondContact O-N 3.04Å; I250-F253 WeakPolarHBondContact O-CB 3.25Å; I250-F253 PolarHBondContact O-N 3.31Å; I250-F253 VanDerWaalsContact O-N 3.15Å; I250-L254 HydrophobicContact CG2-CD1 3.65Å; I250-L254 HydrophobicContact CG2-CG 4.13Å; I250-L254 WeakPolarHBondContact O-CG 3.33Å; I250-L254 PolarHBondContact O-N 2.95Å; I250-F287 HydrophobicContact CG2-CD1 4.34Å; I250-F290 HydrophobicContact CB-CD2 4.26Å; I250-F290 HydrophobicContact CB-CG 4.43Å; I250-F290 HydrophobicContact CG2-CB 3.99Å; I250-F290 HydrophobicContact CG2-CD1 3.82Å; I250-F290 HydrophobicContact CG2-CD2 3.94Å; I250-F290 HydrophobicContact CG2-CE1 4.32Å; I250-F290 HydrophobicContact CG2-CE2 4.43Å; I250-F290 HydrophobicContact CG2-CG 3.62Å
251R94.2Very high92.3Very high83 Ų8340.2 Ų40.231%0.31322%0.22SC..Hα-helixtrans-53-58.1179.6-177.9-169.8-173.6-77-5113.2D247 F253 L254 I255 F290 D299 V300 S303D247-R251 PolarHBondContact O-N 3.43Å; D247-R251 VanDerWaalsContact O-N 3.08Å; R251-F253 VanDerWaalsContact C-N 3.27Å; R251-F253 PolarHBondContact O-N 3.37Å; R251-L254 PolarHBondContact O-N 2.85Å; R251-I255 HydrophobicContact CG-CD1 3.83Å; R251-I255 VanDerWaalsContact NH1-CD1 3.32Å; R251-I255 WeakPolarHBondContact O-CG1 3.29Å; R251-I255 PolarHBondContact O-N 3.42Å; R251-F290 HydrophobicContact CB-CE1 4.4Å; R251-F290 HydrophobicContact CB-CZ 3.88Å; R251-D299 IonicContact CZ-OD1 2.95Å; R251-D299 IonicContact CZ-OD2 3.87Å; R251-D299 IonicContact NE-OD1 3.67Å; R251-D299 IonicContact NE-OD2 3.58Å; R251-D299 PolarHBondContact NE-OD2 2.98Å; R251-D299 VanDerWaalsContact NH2-CG 3.25Å; R251-D299 IonicContact NH2-OD1 3.76Å; R251-D299 PolarHBondContact NH2-OD1 3.1Å; R251-D299 IonicContact NH2-OD2 2.75Å; R251-D299 PolarHBondContact NH2-OD2 3.49Å; R251-V300 HydrophobicContact CG-CG2 4.38Å; R251-S303 PolarHBondContact NH2-OG 3.27Å
252P94Very high92.5Very high25 Ų2537.4 Ų37.416%0.16221%0.205CC..Hα-helixtrans-66.3-27.9178.726-34.9000112.9Y206 N248 L249 H256Y206-P252 HydrophobicContact CD2-CB 3.8Å; Y206-P252 HydrophobicContact CD2-CG 4.09Å; Y206-P252 HydrophobicContact CE2-CB 4.24Å; Y206-P252 HydrophobicContact CE2-CG 4.05Å; Y206-P252 HydrophobicContact CG-CB 4.31Å; N248-P252 WeakPolarHBondContact O-CD 3.47Å; N248-P252 VanDerWaalsContact O-CG 3.31Å; N248-P252 WeakPolarHBondContact O-CG 3.23Å; L249-P252 WeakPolarHBondContact O-CD 3.42Å; L249-P252 WeakPolarHBondContact O-CG 3.38Å; P252-H256 VanDerWaalsContact O-CB 3.26Å; P252-H256 WeakPolarHBondContact O-CB 3.1Å; P252-H256 PolarHBondContact O-CD2 3.39Å; P252-H256 VanDerWaalsContact O-CD2 3.28Å; P252-H256 PolarHBondContact O-N 3.45Å
253F95.6Very high92.9Very high0 Ų033.9 Ų33.90%018%0.176CC..Hα-helixtrans-65.1-43.3173.3-172.2-87.2000111.5Y206 F233 A236 L237 V240 L249 I250 R251 I257 M258 F287Y206-F253 HydrophobicContact CE1-CB 4.49Å; Y206-F253 HydrophobicContact CE1-CD2 4.02Å; F233-F253 HydrophobicContact CE2-CZ 4.24Å; F233-F253 HydrophobicContact CZ-CZ 4.35Å; A236-F253 HydrophobicContact CB-CE2 4.02Å; L237-F253 HydrophobicContact CD1-CE2 4.29Å; L237-F253 HydrophobicContact CD1-CZ 4.28Å; V240-F253 HydrophobicContact CG2-CB 4.12Å; V240-F253 HydrophobicContact CG2-CD2 3.75Å; V240-F253 HydrophobicContact CG2-CG 4.13Å; L249-F253 VanDerWaalsContact O-CB 3.29Å; L249-F253 WeakPolarHBondContact O-CB 3.44Å; L249-F253 PolarHBondContact O-N 3.02Å; I250-F253 WeakPolarHBondContact O-CB 3.25Å; I250-F253 PolarHBondContact O-N 3.31Å; I250-F253 VanDerWaalsContact O-N 3.15Å; R251-F253 VanDerWaalsContact C-N 3.27Å; R251-F253 PolarHBondContact O-N 3.37Å; F253-I257 HydrophobicContact CD2-CB 4.2Å; F253-I257 HydrophobicContact CD2-CG1 4.05Å; F253-I257 HydrophobicContact CE1-CB 4.49Å; F253-I257 HydrophobicContact CE1-CG2 4.4Å; F253-I257 HydrophobicContact CE2-CB 4.18Å; F253-I257 HydrophobicContact CE2-CG1 4.27Å; F253-I257 HydrophobicContact CE2-CG2 4Å; F253-I257 HydrophobicContact CG-CB 4.37Å; F253-I257 HydrophobicContact CZ-CB 4.32Å; F253-I257 HydrophobicContact CZ-CG2 3.93Å; F253-I257 WeakPolarHBondContact O-CA 3.19Å; F253-I257 VanDerWaalsContact O-CB 3.25Å; F253-I257 WeakPolarHBondContact O-CB 3.18Å; F253-I257 PolarHBondContact O-N 3.21Å; F253-M258 HydrophobicContact CD1-CG 3.8Å; F253-M258 HydrophobicContact CE1-CG 3.53Å; F253-M258 HydrophobicContact CE1-SD 3.9Å; F253-M258 PolarHBondContact O-N 3.04Å; F253-F287 HydrophobicContact CD1-CE1 4Å; F253-F287 AromaticContact CD1-CZ 3.86Å; F253-F287 HydrophobicContact CD1-CZ 3.86Å; F253-F287 HydrophobicContact CE1-CE1 4.25Å; F253-F287 AromaticContact CE1-CZ 3.64Å; F253-F287 HydrophobicContact CE1-CZ 3.64Å
254L95.9Very high93.3Very high0 Ų032 Ų320%016%0.161CC..Iπ-helixtrans-63.6-47.1175.9-70.4168.7000111.6I250 R251 M258 S259 F287 F290 L291 L312I250-L254 HydrophobicContact CG2-CD1 3.65Å; I250-L254 HydrophobicContact CG2-CG 4.13Å; I250-L254 WeakPolarHBondContact O-CG 3.33Å; I250-L254 PolarHBondContact O-N 2.95Å; R251-L254 PolarHBondContact O-N 2.85Å; L254-M258 HydrophobicContact CD2-CB 4.26Å; L254-M258 HydrophobicContact CD2-CG 4.23Å; L254-S259 PolarHBondContact O-N 3.3Å; L254-S259 VanDerWaalsContact O-N 3.16Å; L254-F287 HydrophobicContact CD2-CB 4.38Å; L254-F287 HydrophobicContact CD2-CD1 3.72Å; L254-F287 HydrophobicContact CD2-CE1 4.05Å; L254-F287 HydrophobicContact CD2-CG 3.97Å; L254-F287 HydrophobicContact CG-CD1 4.31Å; L254-F290 HydrophobicContact CD1-CD1 3.62Å; L254-F290 HydrophobicContact CD1-CE1 3.96Å; L254-L291 HydrophobicContact CD1-CD1 3.97Å; L254-L291 HydrophobicContact CD1-CD2 3.89Å; L254-L291 HydrophobicContact CD1-CG 3.88Å; L254-L291 HydrophobicContact CD2-CD1 4.26Å; L254-L312 HydrophobicContact CD2-CD1 4.07Å
255I95.1Very high93.6Very high8 Ų824.9 Ų24.94%0.04113%0.129CC..Iπ-helixtrans-69.8-37.6-176.2-67.8169000112.8R251 S259 V300 L304R251-I255 HydrophobicContact CG-CD1 3.83Å; R251-I255 VanDerWaalsContact NH1-CD1 3.32Å; R251-I255 WeakPolarHBondContact O-CG1 3.29Å; R251-I255 PolarHBondContact O-N 3.42Å; I255-S259 WeakPolarHBondContact O-CB 3.35Å; I255-S259 PolarHBondContact O-OG 3Å; I255-V300 HydrophobicContact CG1-CG1 4.03Å; I255-V300 HydrophobicContact CG1-CG2 4.45Å; I255-L304 HydrophobicContact CB-CD2 4.49Å; I255-L304 HydrophobicContact CG2-CD2 3.97Å; I255-L304 WeakPolarHBondContact O-CD2 3.48Å
256H95.3Very high93.8Very high47 Ų4723.5 Ų23.522%0.21812%0.123CC..Iπ-helixtrans-107-23.8-171.1-65.4-59.8000114.4Q210 P252 V260Q210-H256 WeakPolarHBondContact CA-O 2.86Å; Q210-H256 HydrophobicContact CB-CB 4.08Å; Q210-H256 WeakPolarHBondContact CB-O 3.36Å; Q210-H256 VanDerWaalsContact CG-O 3.31Å; Q210-H256 WeakPolarHBondContact CG-O 3.23Å; Q210-H256 PolarHBondContact OE1-ND1 3.21Å; P252-H256 VanDerWaalsContact O-CB 3.26Å; P252-H256 WeakPolarHBondContact O-CB 3.1Å; P252-H256 PolarHBondContact O-CD2 3.39Å; P252-H256 VanDerWaalsContact O-CD2 3.28Å; P252-H256 PolarHBondContact O-N 3.45Å; H256-V260 WeakPolarHBondContact O-CG2 3.4Å
257I96.1Very high94Very high0 Ų021.5 Ų21.50%011%0.109CC..Iπ-helixtrans-109.8-58.7-176.3-52.3-63.9000109.8Y206 L209 L213 F233 A236 F253 S259 V260 L263Y206-I257 HydrophobicContact CD1-CD1 4.1Å; Y206-I257 HydrophobicContact CD1-CG1 3.79Å; Y206-I257 HydrophobicContact CE1-CG1 4.17Å; L209-I257 HydrophobicContact CB-CD1 3.79Å; L209-I257 HydrophobicContact CD1-CD1 4.32Å; L213-I257 HydrophobicContact CD1-CD1 3.93Å; L213-I257 HydrophobicContact CD1-CG2 4.41Å; F233-I257 HydrophobicContact CD2-CG2 4.4Å; F233-I257 HydrophobicContact CE2-CG2 4.19Å; A236-I257 HydrophobicContact CB-CD1 3.85Å; A236-I257 HydrophobicContact CB-CG1 3.97Å; A236-I257 HydrophobicContact CB-CG2 4.32Å; F253-I257 HydrophobicContact CD2-CB 4.2Å; F253-I257 HydrophobicContact CD2-CG1 4.05Å; F253-I257 HydrophobicContact CE1-CB 4.49Å; F253-I257 HydrophobicContact CE1-CG2 4.4Å; F253-I257 HydrophobicContact CE2-CB 4.18Å; F253-I257 HydrophobicContact CE2-CG1 4.27Å; F253-I257 HydrophobicContact CE2-CG2 4Å; F253-I257 HydrophobicContact CG-CB 4.37Å; F253-I257 HydrophobicContact CZ-CB 4.32Å; F253-I257 HydrophobicContact CZ-CG2 3.93Å; F253-I257 WeakPolarHBondContact O-CA 3.19Å; F253-I257 VanDerWaalsContact O-CB 3.25Å; F253-I257 WeakPolarHBondContact O-CB 3.18Å; F253-I257 PolarHBondContact O-N 3.21Å; I257-S259 PolarHBondContact O-N 3.41Å; I257-V260 VanDerWaalsContact O-CB 3.32Å; I257-V260 WeakPolarHBondContact O-CB 3.36Å; I257-V260 VanDerWaalsContact O-CG2 3.3Å; I257-V260 WeakPolarHBondContact O-CG2 3.42Å; I257-V260 PolarHBondContact O-N 3.49Å; I257-L263 HydrophobicContact CG2-CD2 3.81Å; I257-L263 VanDerWaalsContact O-CD2 3.26Å; I257-L263 WeakPolarHBondContact O-CD2 3.47Å
258M96.1Very high94.3Very high1 Ų119.7 Ų19.71%0.00510%0.103CC..Iπ-helixtrans-70.5-16.3-176.6-66.9-62.5-64.200114F253 L254 V260 L263 V264 F287 L312 N315 L316F253-M258 HydrophobicContact CD1-CG 3.8Å; F253-M258 HydrophobicContact CE1-CG 3.53Å; F253-M258 HydrophobicContact CE1-SD 3.9Å; F253-M258 PolarHBondContact O-N 3.04Å; L254-M258 HydrophobicContact CD2-CB 4.26Å; L254-M258 HydrophobicContact CD2-CG 4.23Å; M258-V260 VanDerWaalsContact C-N 3.32Å; M258-L263 HydrophobicContact SD-CD2 4.28Å; M258-V264 HydrophobicContact CE-CG2 4.17Å; M258-F287 HydrophobicContact CE-CE2 4.17Å; M258-F287 HydrophobicContact CG-CE2 4.28Å; M258-F287 HydrophobicContact CG-CZ 4.19Å; M258-F287 HydrophobicContact SD-CE2 4.26Å; M258-L312 HydrophobicContact CB-CD1 3.43Å; M258-L312 VanDerWaalsContact CB-CD1 3.43Å; M258-L312 WeakPolarHBondContact O-CA 3.49Å; M258-N315 HydrophobicContact CE-CB 3.99Å; M258-N315 PolarHBondContact O-ND2 3.03Å; M258-L316 HydrophobicContact CE-CD2 4.42Å
259S95.6Very high94.4Very high0 Ų017.6 Ų17.60%010%0.095CC..THydrogen-bonded Turntrans-81.6-6.417270.60000114L254 I255 I257 C311L254-S259 PolarHBondContact O-N 3.3Å; L254-S259 VanDerWaalsContact O-N 3.16Å; I255-S259 WeakPolarHBondContact O-CB 3.35Å; I255-S259 PolarHBondContact O-OG 3Å; I257-S259 PolarHBondContact O-N 3.41Å; S259-C311 WeakPolarHBondContact O-CB 3.35Å
260V94.9Very high94.4Very high1 Ų117.7 Ų17.71%0.00610%0.097CC..SBendtrans-65.4133.3178.1174.40000109.5Q210 L213 L217 H256 I257 M258 A262 L263 N315Q210-V260 HydrophobicContact CG-CG2 4.49Å; L213-V260 HydrophobicContact CB-CG1 3.98Å; L213-V260 HydrophobicContact CB-CG2 3.98Å; L213-V260 HydrophobicContact CD1-CG2 4.4Å; L217-V260 HydrophobicContact CB-CG1 4.34Å; L217-V260 HydrophobicContact CD1-CG1 4.16Å; H256-V260 WeakPolarHBondContact O-CG2 3.4Å; I257-V260 VanDerWaalsContact O-CB 3.32Å; I257-V260 WeakPolarHBondContact O-CB 3.36Å; I257-V260 VanDerWaalsContact O-CG2 3.3Å; I257-V260 WeakPolarHBondContact O-CG2 3.42Å; I257-V260 PolarHBondContact O-N 3.49Å; M258-V260 VanDerWaalsContact C-N 3.32Å; V260-A262 PolarHBondContact O-N 3.5Å; V260-L263 HydrophobicContact CB-CB 4.36Å; V260-L263 PolarHBondContact O-N 2.95Å; V260-N315 PolarHBondContact O-ND2 3.03Å
261P93.7Very high94.3Very high1 Ų117.4 Ų17.41%0.00610%0.095CC..THydrogen-bonded Turntrans-56.4131.4-176.7-2634.9000112.8A218 L263 L374 S377 I381A218-P261 HydrophobicContact CB-CB 4.38Å; A218-P261 HydrophobicContact CB-CG 4.13Å; P261-L263 PolarHBondContact O-N 2.7Å; P261-L374 HydrophobicContact CB-CD1 4.07Å; P261-L374 HydrophobicContact CG-CD1 3.51Å; P261-S377 WeakPolarHBondContact CB-OG 3.4Å; P261-I381 HydrophobicContact CB-CD1 4.27Å
262A93.6Very high94.1Very high0 Ų016.6 Ų16.60%010%0.101CC..THydrogen-bonded Turntrans5324.1174.600000116V260 V264 T265 H266 L380 I381V260-A262 PolarHBondContact O-N 3.5Å; A262-V264 PolarHBondContact O-N 3.48Å; A262-T265 WeakPolarHBondContact O-CB 3.33Å; A262-T265 PolarHBondContact O-N 3.32Å; A262-T265 VanDerWaalsContact O-N 3.14Å; A262-H266 PolarHBondContact O-CD2 3.3Å; A262-H266 PolarHBondContact O-N 3.47Å; A262-L380 HydrophobicContact CB-CB 3.66Å; A262-L380 HydrophobicContact CB-CD1 3.89Å; A262-L380 HydrophobicContact CB-CG 4.45Å; A262-I381 HydrophobicContact CB-CD1 4.2Å; A262-I381 VanDerWaalsContact N-CD1 3.28Å
263L95.4Very high94Very high0 Ų020.3 Ų20.30%012%0.116CC..Hα-helixtrans-51.9-50.5-176.5177.464.1000112.3L217 F233 I257 M258 V260 P261 T265 H266 L267 N315L217-L263 HydrophobicContact CD1-CD1 3.65Å; F233-L263 HydrophobicContact CE2-CD2 4.15Å; I257-L263 HydrophobicContact CG2-CD2 3.81Å; I257-L263 VanDerWaalsContact O-CD2 3.26Å; I257-L263 WeakPolarHBondContact O-CD2 3.47Å; M258-L263 HydrophobicContact SD-CD2 4.28Å; V260-L263 HydrophobicContact CB-CB 4.36Å; V260-L263 PolarHBondContact O-N 2.95Å; P261-L263 PolarHBondContact O-N 2.7Å; L263-T265 VanDerWaalsContact C-N 3.31Å; L263-T265 PolarHBondContact O-N 3.5Å; L263-H266 PolarHBondContact O-N 3.07Å; L263-L267 HydrophobicContact CD1-CD1 4.07Å; L263-L267 HydrophobicContact CD1-CG 4.09Å; L263-L267 HydrophobicContact CG-CD1 3.91Å; L263-L267 HydrophobicContact CG-CG 4.33Å; L263-L267 WeakPolarHBondContact O-CB 3.21Å; L263-L267 VanDerWaalsContact O-CG 3.29Å; L263-L267 WeakPolarHBondContact O-CG 3.23Å; L263-L267 PolarHBondContact O-N 3.27Å; L263-N315 PolarHBondContact N-OD1 3.27Å; L263-N315 VanDerWaalsContact N-OD1 3.16Å
264V95.4Very high93.7Very high1 Ų123.8 Ų23.81%0.00613%0.129CC..Hα-helixtrans-66.3-36.3-176.2-179.40000111.2M258 A262 L267 S268 L275 N315 H318 L322M258-V264 HydrophobicContact CE-CG2 4.17Å; A262-V264 PolarHBondContact O-N 3.48Å; V264-L267 PolarHBondContact O-N 2.9Å; V264-S268 PolarHBondContact O-N 2.97Å; V264-L275 HydrophobicContact CG1-CD2 4.24Å; V264-N315 HydrophobicContact CG2-CB 3.78Å; V264-N315 PolarHBondContact N-OD1 2.89Å; V264-N315 VanDerWaalsContact N-OD1 3.17Å; V264-H318 HydrophobicContact CB-CB 4.18Å; V264-H318 HydrophobicContact CG1-CB 3.95Å; V264-L322 HydrophobicContact CG1-CD1 4.18Å
265T94.7Very high93.3Very high24 Ų2424.4 Ų24.415%0.14713%0.132CC..Hα-helixtrans-63.8-41.7173.9-54.10000112.2A262 L263 S268 T269 H318 L380 Q384A262-T265 WeakPolarHBondContact O-CB 3.33Å; A262-T265 PolarHBondContact O-N 3.32Å; A262-T265 VanDerWaalsContact O-N 3.14Å; L263-T265 VanDerWaalsContact C-N 3.31Å; L263-T265 PolarHBondContact O-N 3.5Å; T265-S268 PolarHBondContact O-OG 3.27Å; T265-S268 VanDerWaalsContact O-OG 3.06Å; T265-T269 WeakPolarHBondContact O-CG2 3.36Å; T265-T269 PolarHBondContact O-N 2.93Å; T265-T269 PolarHBondContact O-OG1 3.18Å; T265-H318 PolarHBondContact N-ND1 2.95Å; T265-H318 PolarHBondContact OG1-CE1 3.4Å; T265-H318 PolarHBondContact OG1-ND1 3.49Å; T265-L380 HydrophobicContact CG2-CD2 4.49Å; T265-Q384 VanDerWaalsContact OG1-CG 3.27Å; T265-Q384 WeakPolarHBondContact OG1-CG 3.31Å; T265-Q384 PolarHBondContact OG1-NE2 2.85Å
266H94.2Very high93Very high3 Ų327.8 Ų27.81%0.01415%0.153CC..Hα-helixtrans-71.5-35176-68-54.7000112.5L217 A262 L263 T269 V270L217-H266 HydrophobicContact CD1-CB 4.46Å; L217-H266 HydrophobicContact CD2-CB 3.9Å; L217-H266 PolarHBondContact O-NE2 3.07Å; L217-H266 VanDerWaalsContact O-NE2 3.14Å; A262-H266 PolarHBondContact O-CD2 3.3Å; A262-H266 PolarHBondContact O-N 3.47Å; L263-H266 PolarHBondContact O-N 3.07Å; H266-T269 WeakPolarHBondContact CA-OG1 3.47Å; H266-T269 PolarHBondContact O-N 3.33Å; H266-T269 PolarHBondContact O-OG1 2.81Å; H266-V270 WeakPolarHBondContact O-CB 3.45Å; H266-V270 WeakPolarHBondContact O-CG2 3.44Å; H266-V270 PolarHBondContact O-N 2.8Å
267L93.9Very high92.7Very high1 Ų127.3 Ų27.31%0.00515%0.154CC..Hα-helixtrans-65.1-41.6173.6-70.8174.5000111.6L229 F233 L263 V264 T269 T271 L275L229-L267 HydrophobicContact CD1-CD2 4.35Å; L229-L267 HydrophobicContact CD2-CD2 4.18Å; L229-L267 HydrophobicContact CG-CD2 4.11Å; F233-L267 HydrophobicContact CB-CD2 4.35Å; F233-L267 HydrophobicContact CD1-CD1 4.49Å; F233-L267 HydrophobicContact CD1-CD2 4.44Å; F233-L267 HydrophobicContact CD2-CD1 3.94Å; F233-L267 HydrophobicContact CD2-CD2 4.28Å; F233-L267 HydrophobicContact CE1-CD1 4.24Å; F233-L267 HydrophobicContact CE2-CD1 3.67Å; F233-L267 HydrophobicContact CG-CD1 4.35Å; F233-L267 HydrophobicContact CG-CD2 4.09Å; F233-L267 HydrophobicContact CZ-CD1 3.82Å; L263-L267 HydrophobicContact CD1-CD1 4.07Å; L263-L267 HydrophobicContact CD1-CG 4.09Å; L263-L267 HydrophobicContact CG-CD1 3.91Å; L263-L267 HydrophobicContact CG-CG 4.33Å; L263-L267 WeakPolarHBondContact O-CB 3.21Å; L263-L267 VanDerWaalsContact O-CG 3.29Å; L263-L267 WeakPolarHBondContact O-CG 3.23Å; L263-L267 PolarHBondContact O-N 3.27Å; V264-L267 PolarHBondContact O-N 2.9Å; L267-T269 VanDerWaalsContact C-N 3.32Å; L267-T269 PolarHBondContact O-N 2.94Å; L267-T271 WeakPolarHBondContact CD2-OG1 3.26Å; L267-T271 CarbonylContact O-C 3.37Å; L267-T271 WeakPolarHBondContact O-CA 3.12Å; L267-T271 PolarHBondContact O-N 3.46Å; L267-L275 HydrophobicContact CB-CD1 4.49Å; L267-L275 HydrophobicContact CB-CD2 3.82Å; L267-L275 HydrophobicContact CB-CG 4.09Å; L267-L275 HydrophobicContact CD1-CD2 4.17Å
268S92.3Very high92.4Very high40 Ų4027.4 Ų27.428%0.2815%0.154SC..Hα-helixtrans-66.4-35.5179.376.60000112.6V264 T265 L275V264-S268 PolarHBondContact O-N 2.97Å; T265-S268 PolarHBondContact O-OG 3.27Å; T265-S268 VanDerWaalsContact O-OG 3.06Å; S268-L275 VanDerWaalsContact CA-CD1 3.44Å
269T90.9Very high92Very high96 Ų9631.1 Ų31.159%0.58917%0.172SC*.Hα-helixtrans-82.8-40-177.649.80000113.6T265 H266 L267T265-T269 WeakPolarHBondContact O-CG2 3.36Å; T265-T269 PolarHBondContact O-N 2.93Å; T265-T269 PolarHBondContact O-OG1 3.18Å; H266-T269 WeakPolarHBondContact CA-OG1 3.47Å; H266-T269 PolarHBondContact O-N 3.33Å; H266-T269 PolarHBondContact O-OG1 2.81Å; L267-T269 VanDerWaalsContact C-N 3.32Å; L267-T269 PolarHBondContact O-N 2.94Å
270V92.1Very high91.8Very high34 Ų3435.1 Ų35.121%0.20620%0.2CC..Hα-helixtrans-99.3-40-173.1-172.10000112.3P222 K226 L229 H266P222-V270 HydrophobicContact CG-CG2 3.63Å; K226-V270 HydrophobicContact CB-CG1 4.07Å; K226-V270 HydrophobicContact CG-CG1 4.48Å; K226-V270 WeakPolarHBondContact CG-O 3.27Å; L229-V270 HydrophobicContact CD2-CB 4.03Å; L229-V270 HydrophobicContact CD2-CG1 4.3Å; H266-V270 WeakPolarHBondContact O-CB 3.45Å; H266-V270 WeakPolarHBondContact O-CG2 3.44Å; H266-V270 PolarHBondContact O-N 2.8Å
271T91.8Very high91.6Very high1 Ų137.7 Ų37.71%0.00621%0.212CC..  trans-138.561.7-17157.10000112.5K226 L229 T230 L267 E273 R274K226-T271 HydrophobicContact CG-CG2 3.74Å; K226-T271 WeakPolarHBondContact O-CG2 3.26Å; L229-T271 HydrophobicContact CB-CG2 4.4Å; L229-T271 HydrophobicContact CD2-CG2 4.36Å; L229-T271 HydrophobicContact CG-CG2 4.46Å; T230-T271 WeakPolarHBondContact OG1-CG2 3.38Å; L267-T271 WeakPolarHBondContact CD2-OG1 3.26Å; L267-T271 CarbonylContact O-C 3.37Å; L267-T271 WeakPolarHBondContact O-CA 3.12Å; L267-T271 PolarHBondContact O-N 3.46Å; T271-E273 PolarHBondContact O-N 2.87Å; T271-E273 VanDerWaalsContact O-N 3.13Å; T271-R274 PolarHBondContact O-N 2.79Å
272P90.4Very high91.5Very high66 Ų6641.6 Ų41.643%0.42923%0.233SC..G310 helixtrans-59.9-29.1-174.923.1-34.1000113.1R274 L275P272-R274 PolarHBondContact O-N 2.81Å; P272-L275 WeakPolarHBondContact O-CB 3.44Å; P272-L275 PolarHBondContact O-N 3.34Å
273E90.3Very high91.5Very high103 Ų10341.7 Ų41.748%0.48123%0.233SC..G310 helixtrans-55.9-20.5173.5-61.2162.4-138.100114K226 T271 T276K226-E273 IonicContact NZ-OE1 2.6Å; K226-E273 PolarHBondContact NZ-OE1 3.35Å; T271-E273 PolarHBondContact O-N 2.87Å; T271-E273 VanDerWaalsContact O-N 3.13Å; E273-T276 PolarHBondContact O-OG1 3.4Å
274R89.3Confident91.4Very high73 Ų7341.9 Ų41.928%0.27523%0.234SC..G310 helixtrans-87.7-21.4177.6-63.6-65.2141.4179-1112.9T230 F233 S234 T271 P272 V277 L278T230-R274 HydrophobicContact CG2-CG 4.42Å; F233-R274 HydrophobicContact CD1-CB 3.99Å; F233-R274 HydrophobicContact CD1-CG 4.49Å; F233-R274 HydrophobicContact CE1-CB 4.37Å; S234-R274 PolarHBondContact OG-NH1 3.25Å; T271-R274 PolarHBondContact O-N 2.79Å; P272-R274 PolarHBondContact O-N 2.81Å; R274-V277 PolarHBondContact O-N 2.9Å; R274-L278 PolarHBondContact O-N 2.99Å
275L88.5Confident91.4Very high12 Ų1244.8 Ų44.86%0.06325%0.245CC..Hα-helixtrans-71.9-37.9173.5-66.6177.1000111.1V264 L267 S268 P272 V277 L278 E279 L322V264-L275 HydrophobicContact CG1-CD2 4.24Å; L267-L275 HydrophobicContact CB-CD1 4.49Å; L267-L275 HydrophobicContact CB-CD2 3.82Å; L267-L275 HydrophobicContact CB-CG 4.09Å; L267-L275 HydrophobicContact CD1-CD2 4.17Å; S268-L275 VanDerWaalsContact CA-CD1 3.44Å; P272-L275 WeakPolarHBondContact O-CB 3.44Å; P272-L275 PolarHBondContact O-N 3.34Å; L275-V277 PolarHBondContact O-N 3.16Å; L275-L278 HydrophobicContact CD2-CD1 4.02Å; L275-L278 WeakPolarHBondContact O-CA 3.37Å; L275-L278 WeakPolarHBondContact O-CB 3.37Å; L275-L278 PolarHBondContact O-N 3.46Å; L275-E279 PolarHBondContact O-N 3.14Å; L275-L322 HydrophobicContact CD1-CD1 3.93Å
276T88.2Confident91.4Very high79 Ų7946.5 Ų46.549%0.48525%0.25SS..Hα-helixtrans-60.7-28.917561.80000112.3E273 S280E273-T276 PolarHBondContact O-OG1 3.4Å; T276-S280 WeakPolarHBondContact O-CB 3.45Å; T276-S280 PolarHBondContact O-N 3.35Å
277V89.3Confident91.5Very high38 Ų3846.4 Ų46.423%0.2325%0.25CC..Hα-helixtrans-71.4-33.6173.2-176.60000111.7L237 R274 L275 S280 H281L237-V277 HydrophobicContact CD2-CG1 3.71Å; R274-V277 PolarHBondContact O-N 2.9Å; L275-V277 PolarHBondContact O-N 3.16Å; V277-S280 PolarHBondContact O-OG 3.04Å; V277-S280 VanDerWaalsContact O-OG 3.08Å; V277-H281 PolarHBondContact O-N 3.18Å; V277-H281 PolarHBondContact O-ND1 3.22Å
278L89.4Confident91.5Very high2 Ų246.4 Ų46.41%0.0125%0.25CC..Hα-helixtrans-68.7-41.7173.9-65176.2000111.1F233 L237 R274 L275 H281 D282 M283 L319F233-L278 HydrophobicContact CE1-CD1 4.21Å; F233-L278 HydrophobicContact CE1-CD2 4.02Å; F233-L278 HydrophobicContact CE1-CG 4.11Å; F233-L278 HydrophobicContact CZ-CD1 3.81Å; F233-L278 HydrophobicContact CZ-CD2 3.8Å; F233-L278 HydrophobicContact CZ-CG 4.07Å; L237-L278 HydrophobicContact CD1-CD2 4.09Å; L237-L278 HydrophobicContact CD2-CD2 4.19Å; R274-L278 PolarHBondContact O-N 2.99Å; L275-L278 HydrophobicContact CD2-CD1 4.02Å; L275-L278 WeakPolarHBondContact O-CA 3.37Å; L275-L278 WeakPolarHBondContact O-CB 3.37Å; L275-L278 PolarHBondContact O-N 3.46Å; L278-H281 PolarHBondContact O-N 3.23Å; L278-D282 PolarHBondContact O-N 3.19Å; L278-M283 HydrophobicContact CB-CB 4.21Å; L278-M283 HydrophobicContact CB-CG 4.21Å; L278-M283 HydrophobicContact CD2-CB 4.12Å; L278-M283 HydrophobicContact CD2-CG 3.71Å; L278-M283 WeakPolarHBondContact O-CB 3.49Å; L278-M283 WeakPolarHBondContact O-CG 3.45Å; L278-M283 PolarHBondContact O-N 2.73Å; L278-L319 HydrophobicContact CD1-CD1 4.34Å
279E88.6Confident91.6Very high78 Ų7848 Ų4836%0.36425%0.253SS..Hα-helixtrans-64-46.5175.3-69.7175.1178.700111.4L275 H281 D282L275-E279 PolarHBondContact O-N 3.14Å; E279-H281 PolarHBondContact O-N 2.77Å; E279-D282 PolarHBondContact O-N 3.02Å
280S90.3Very high91.7Very high85 Ų8543.9 Ų43.959%0.59423%0.228SC*.Hα-helixtrans-62.2-19.2-179.7770000113.9T276 V277T276-S280 WeakPolarHBondContact O-CB 3.45Å; T276-S280 PolarHBondContact O-N 3.35Å; V277-S280 PolarHBondContact O-OG 3.04Å; V277-S280 VanDerWaalsContact O-OG 3.08Å
281H91Very high91.8Very high54 Ų5442.4 Ų42.425%0.2522%0.218CC..THydrogen-bonded Turntrans-107.210.9177.1-66.293000112.7F245 V277 L278 E279 M283 K286F245-H281 HydrophobicContact CE1-CB 4.28Å; F245-H281 HydrophobicContact CZ-CB 3.81Å; F245-H281 AromaticContact CZ-CD2 3.63Å; F245-H281 AromaticContact CZ-CG 3.96Å; V277-H281 PolarHBondContact O-N 3.18Å; V277-H281 PolarHBondContact O-ND1 3.22Å; L278-H281 PolarHBondContact O-N 3.23Å; E279-H281 PolarHBondContact O-N 2.77Å; H281-M283 HydrophobicContact CB-CG 4.09Å; H281-M283 HydrophobicContact CB-SD 4.3Å; H281-M283 PolarHBondContact O-N 3.23Å; H281-M283 VanDerWaalsContact O-N 3.15Å; H281-K286 PolarHBondContact O-NZ 3.3Å
282D91.8Very high91.7Very high84 Ų8448.5 Ų48.545%0.44924%0.241SC..THydrogen-bonded Turntrans48.141.5-178.3-67.7-42.3000113.4L278 E279 L284 R285 K286L278-D282 PolarHBondContact O-N 3.19Å; E279-D282 PolarHBondContact O-N 3.02Å; D282-L284 VanDerWaalsContact C-N 3.26Å; D282-L284 PolarHBondContact O-N 3.42Å; D282-R285 HydrophobicContact CB-CB 4.4Å; D282-R285 PolarHBondContact O-N 3.21Å; D282-R285 VanDerWaalsContact O-N 3.17Å; D282-K286 PolarHBondContact O-N 3.5Å
283M93.2Very high91.7Very high1 Ų148.6 Ų48.61%0.00524%0.238CC..Hα-helixtrans-60.8-36.7-172.9-72.4-64-64.800112.4L237 F245 L278 H281 K286 F287L237-M283 HydrophobicContact CD1-CE 3.95Å; L237-M283 HydrophobicContact CD1-SD 4.32Å; F245-M283 HydrophobicContact CD1-CE 4.3Å; F245-M283 HydrophobicContact CD1-SD 3.56Å; F245-M283 VanDerWaalsContact CD1-SD 3.56Å; F245-M283 HydrophobicContact CE1-CE 4.29Å; F245-M283 HydrophobicContact CE1-SD 3.2Å; F245-M283 WeakPolarHBondContact CE1-SD 3.36Å; F245-M283 HydrophobicContact CZ-SD 4.23Å; L278-M283 HydrophobicContact CB-CB 4.21Å; L278-M283 HydrophobicContact CB-CG 4.21Å; L278-M283 HydrophobicContact CD2-CB 4.12Å; L278-M283 HydrophobicContact CD2-CG 3.71Å; L278-M283 WeakPolarHBondContact O-CB 3.49Å; L278-M283 WeakPolarHBondContact O-CG 3.45Å; L278-M283 PolarHBondContact O-N 2.73Å; H281-M283 HydrophobicContact CB-CG 4.09Å; H281-M283 HydrophobicContact CB-SD 4.3Å; H281-M283 PolarHBondContact O-N 3.23Å; H281-M283 VanDerWaalsContact O-N 3.15Å; M283-K286 PolarHBondContact O-N 3.18Å; M283-K286 HydrophobicContact SD-CD 4.46Å; M283-F287 HydrophobicContact CB-CE2 4.03Å; M283-F287 HydrophobicContact CB-CZ 4.16Å; M283-F287 HydrophobicContact CE-CE1 3.46Å; M283-F287 VanDerWaalsContact CE-CE1 3.46Å; M283-F287 HydrophobicContact CE-CE2 4.28Å; M283-F287 HydrophobicContact CE-CZ 3.3Å; M283-F287 VanDerWaalsContact O-CD2 3.23Å; M283-F287 WeakPolarHBondContact O-CD2 3.46Å; M283-F287 WeakPolarHBondContact O-CG 3.26Å; M283-F287 PolarHBondContact O-N 2.96Å
284L94.6Very high91.6Very high4 Ų449.2 Ų49.22%0.02124%0.241CC..Hα-helixtrans-58.6-49.1176.2179.463.6000111.5D282 K286 F287 I288 L319 V326 L327 F334D282-L284 VanDerWaalsContact C-N 3.26Å; D282-L284 PolarHBondContact O-N 3.42Å; L284-K286 VanDerWaalsContact C-N 3.29Å; L284-K286 PolarHBondContact O-N 3.37Å; L284-F287 PolarHBondContact O-N 3.01Å; L284-I288 HydrophobicContact CD1-CD1 4.08Å; L284-I288 HydrophobicContact CD1-CG1 4.33Å; L284-I288 HydrophobicContact CG-CD1 3.9Å; L284-I288 VanDerWaalsContact O-CG1 3.31Å; L284-I288 WeakPolarHBondContact O-CG1 3.47Å; L284-I288 PolarHBondContact O-N 3.22Å; L284-L319 HydrophobicContact CB-CD2 4Å; L284-L319 HydrophobicContact CB-CG 4.22Å; L284-L319 HydrophobicContact CD1-CD2 4.16Å; L284-L319 HydrophobicContact CD1-CG 4.3Å; L284-V326 HydrophobicContact CB-CG1 4.3Å; L284-V326 HydrophobicContact CD2-CB 4.16Å; L284-V326 HydrophobicContact CD2-CG1 4Å; L284-V326 HydrophobicContact CG-CG1 4.1Å; L284-L327 HydrophobicContact CD2-CD2 4.19Å; L284-L327 HydrophobicContact CD2-CG 4.31Å; L284-F334 HydrophobicContact CD1-CE2 4.49Å
285R95.2Very high91.8Very high62 Ų6251.1 Ų51.123%0.23426%0.257CS..Hα-helixtrans-58.7-43.4178.2-172.6-179.2-57.6-109.77.9111D282 F287 I288 M289 V326 E329 E330D282-R285 HydrophobicContact CB-CB 4.4Å; D282-R285 PolarHBondContact O-N 3.21Å; D282-R285 VanDerWaalsContact O-N 3.17Å; R285-F287 PolarHBondContact O-N 3.12Å; R285-I288 PolarHBondContact O-N 3.23Å; R285-M289 HydrophobicContact CG-CG 4.3Å; R285-M289 WeakPolarHBondContact O-CB 3.45Å; R285-M289 VanDerWaalsContact O-CG 3.31Å; R285-M289 WeakPolarHBondContact O-CG 3.41Å; R285-M289 PolarHBondContact O-N 3.08Å; R285-V326 HydrophobicContact CB-CG1 3.81Å; R285-E329 IonicContact CZ-OE2 3.5Å; R285-E329 VanDerWaalsContact CZ-OE2 3.25Å; R285-E329 IonicContact NH1-OE2 2.85Å; R285-E329 PolarHBondContact NH1-OE2 2.82Å; R285-E329 VanDerWaalsContact NH2-CD 3.34Å; R285-E329 IonicContact NH2-OE1 2.91Å; R285-E329 IonicContact NH2-OE2 2.71Å; R285-E329 PolarHBondContact NH2-OE2 2.85Å; R285-E330 HydrophobicContact CG-CG 4.12Å; R285-E330 IonicContact CZ-OE1 3.61Å; R285-E330 IonicContact NH1-OE1 3.56Å; R285-E330 PolarHBondContact NH1-OE1 3.42Å
286K94.4Very high92Very high61 Ų6154.1 Ų54.127%0.26527%0.267SS..Hα-helixtrans-63.9-40178.7-70170.9178.4152.40112.4F245 H281 D282 M283 L284 M289 F290F245-K286 HydrophobicContact CB-CD 3.92Å; F245-K286 HydrophobicContact CD1-CD 3.74Å; F245-K286 HydrophobicContact CD2-CD 4.01Å; F245-K286 HydrophobicContact CE1-CD 4.35Å; F245-K286 HydrophobicContact CG-CD 3.59Å; H281-K286 PolarHBondContact O-NZ 3.3Å; D282-K286 PolarHBondContact O-N 3.5Å; M283-K286 PolarHBondContact O-N 3.18Å; M283-K286 HydrophobicContact SD-CD 4.46Å; L284-K286 VanDerWaalsContact C-N 3.29Å; L284-K286 PolarHBondContact O-N 3.37Å; K286-M289 PolarHBondContact O-N 2.83Å; K286-F290 WeakPolarHBondContact O-CB 3.29Å; K286-F290 PolarHBondContact O-N 3.03Å
287F95.5Very high92.2Very high0 Ų050.5 Ų50.50%025%0.245CC..Hα-helixtrans-64.4-43.6174.1-60.6-30.8000111.7I250 F253 L254 M258 M283 L284 R285 F290 L291 L316 L319I250-F287 HydrophobicContact CG2-CD1 4.34Å; F253-F287 HydrophobicContact CD1-CE1 4Å; F253-F287 AromaticContact CD1-CZ 3.86Å; F253-F287 HydrophobicContact CD1-CZ 3.86Å; F253-F287 HydrophobicContact CE1-CE1 4.25Å; F253-F287 AromaticContact CE1-CZ 3.64Å; F253-F287 HydrophobicContact CE1-CZ 3.64Å; L254-F287 HydrophobicContact CD2-CB 4.38Å; L254-F287 HydrophobicContact CD2-CD1 3.72Å; L254-F287 HydrophobicContact CD2-CE1 4.05Å; L254-F287 HydrophobicContact CD2-CG 3.97Å; L254-F287 HydrophobicContact CG-CD1 4.31Å; M258-F287 HydrophobicContact CE-CE2 4.17Å; M258-F287 HydrophobicContact CG-CE2 4.28Å; M258-F287 HydrophobicContact CG-CZ 4.19Å; M258-F287 HydrophobicContact SD-CE2 4.26Å; M283-F287 HydrophobicContact CB-CE2 4.03Å; M283-F287 HydrophobicContact CB-CZ 4.16Å; M283-F287 HydrophobicContact CE-CE1 3.46Å; M283-F287 VanDerWaalsContact CE-CE1 3.46Å; M283-F287 HydrophobicContact CE-CE2 4.28Å; M283-F287 HydrophobicContact CE-CZ 3.3Å; M283-F287 VanDerWaalsContact O-CD2 3.23Å; M283-F287 WeakPolarHBondContact O-CD2 3.46Å; M283-F287 WeakPolarHBondContact O-CG 3.26Å; M283-F287 PolarHBondContact O-N 2.96Å; L284-F287 PolarHBondContact O-N 3.01Å; R285-F287 PolarHBondContact O-N 3.12Å; F287-F290 PolarHBondContact O-N 3.2Å; F287-L291 WeakPolarHBondContact O-CB 3.43Å; F287-L291 WeakPolarHBondContact O-CG 3.31Å; F287-L291 PolarHBondContact O-N 3.24Å; F287-L316 HydrophobicContact CB-CD2 4.1Å; F287-L316 HydrophobicContact CD2-CD2 3.88Å; F287-L316 HydrophobicContact CG-CD2 4.35Å; F287-L319 HydrophobicContact CD2-CD2 4.19Å; F287-L319 HydrophobicContact CE2-CD2 4.11Å
288I95.1Very high92.3Very high1 Ų154.8 Ų54.81%0.00526%0.257CS..Hα-helixtrans-61.2-48.9176.2-64.1167.8000110.1L284 R285 F290 L291 R292 L327 E330 F334L284-I288 HydrophobicContact CD1-CD1 4.08Å; L284-I288 HydrophobicContact CD1-CG1 4.33Å; L284-I288 HydrophobicContact CG-CD1 3.9Å; L284-I288 VanDerWaalsContact O-CG1 3.31Å; L284-I288 WeakPolarHBondContact O-CG1 3.47Å; L284-I288 PolarHBondContact O-N 3.22Å; R285-I288 PolarHBondContact O-N 3.23Å; I288-F290 VanDerWaalsContact C-N 3.33Å; I288-F290 PolarHBondContact O-N 3.39Å; I288-L291 PolarHBondContact O-N 3.16Å; I288-R292 WeakPolarHBondContact O-CB 3.46Å; I288-R292 PolarHBondContact O-N 2.93Å; I288-L327 HydrophobicContact CD1-CD2 4.49Å; I288-E330 HydrophobicContact CD1-CB 4.05Å; I288-E330 HydrophobicContact CG2-CB 4.23Å; I288-F334 HydrophobicContact CD1-CB 4.12Å; I288-F334 HydrophobicContact CD1-CD2 3.83Å; I288-F334 HydrophobicContact CD1-CG 4.28Å; I288-F334 HydrophobicContact CG1-CD2 3.89Å
289M93.5Very high92.5Very high73 Ų7357.7 Ų57.736%0.3627%0.273SS..Hα-helixtrans-63.5-35.6179.5-70.1-63.396.400113.7R285 K286 R296 E330R285-M289 HydrophobicContact CG-CG 4.3Å; R285-M289 WeakPolarHBondContact O-CB 3.45Å; R285-M289 VanDerWaalsContact O-CG 3.31Å; R285-M289 WeakPolarHBondContact O-CG 3.41Å; R285-M289 PolarHBondContact O-N 3.08Å; K286-M289 PolarHBondContact O-N 2.83Å; M289-R296 PolarHBondContact O-NH2 2.82Å; M289-E330 WeakPolarHBondContact CE-OE2 3.41Å
290F94.1Very high92.7Very high11 Ų1154 Ų545%0.04826%0.256CS..Hα-helixtrans-70.2-46.6175.7-178.9-92.5000111.7D247 I250 R251 L254 K286 F287 I288 R296 V300D247-F290 HydrophobicContact CB-CD2 4.22Å; D247-F290 HydrophobicContact CB-CE2 3.73Å; I250-F290 HydrophobicContact CB-CD2 4.26Å; I250-F290 HydrophobicContact CB-CG 4.43Å; I250-F290 HydrophobicContact CG2-CB 3.99Å; I250-F290 HydrophobicContact CG2-CD1 3.82Å; I250-F290 HydrophobicContact CG2-CD2 3.94Å; I250-F290 HydrophobicContact CG2-CE1 4.32Å; I250-F290 HydrophobicContact CG2-CE2 4.43Å; I250-F290 HydrophobicContact CG2-CG 3.62Å; R251-F290 HydrophobicContact CB-CE1 4.4Å; R251-F290 HydrophobicContact CB-CZ 3.88Å; L254-F290 HydrophobicContact CD1-CD1 3.62Å; L254-F290 HydrophobicContact CD1-CE1 3.96Å; K286-F290 WeakPolarHBondContact O-CB 3.29Å; K286-F290 PolarHBondContact O-N 3.03Å; F287-F290 PolarHBondContact O-N 3.2Å; I288-F290 VanDerWaalsContact C-N 3.33Å; I288-F290 PolarHBondContact O-N 3.39Å; F290-R296 HydrophobicContact CE1-CB 4.34Å; F290-R296 HydrophobicContact CZ-CB 4.41Å; F290-R296 HydrophobicContact CZ-CG 4.42Å; F290-R296 VanDerWaalsContact O-CZ 3.3Å; F290-R296 PolarHBondContact O-NE 3.07Å; F290-R296 PolarHBondContact O-NH2 2.56Å; F290-V300 HydrophobicContact CE1-CG2 4.15Å
291L93.6Very high92.9Very high2 Ų250 Ų501%0.0123%0.228CC..Hα-helixtrans-86.2-8.2-175.4-65170000114.1L254 F287 I288 D293 C297 V300 L316 L337L254-L291 HydrophobicContact CD1-CD1 3.97Å; L254-L291 HydrophobicContact CD1-CD2 3.89Å; L254-L291 HydrophobicContact CD1-CG 3.88Å; L254-L291 HydrophobicContact CD2-CD1 4.26Å; F287-L291 WeakPolarHBondContact O-CB 3.43Å; F287-L291 WeakPolarHBondContact O-CG 3.31Å; F287-L291 PolarHBondContact O-N 3.24Å; I288-L291 PolarHBondContact O-N 3.16Å; L291-D293 PolarHBondContact O-N 2.93Å; L291-C297 WeakPolarHBondContact O-CB 3.45Å; L291-V300 HydrophobicContact CD2-CB 4.23Å; L291-V300 HydrophobicContact CD2-CG1 4.38Å; L291-V300 HydrophobicContact CD2-CG2 4.05Å; L291-L316 HydrophobicContact CD1-CD1 4.01Å; L291-L337 HydrophobicContact CB-CD1 3.45Å; L291-L337 VanDerWaalsContact CB-CD1 3.45Å; L291-L337 HydrophobicContact CB-CD2 3.94Å; L291-L337 HydrophobicContact CB-CG 4.29Å; L291-L337 HydrophobicContact CD1-CD1 3.99Å; L291-L337 HydrophobicContact CD1-CD2 3.98Å; L291-L337 HydrophobicContact CG-CD1 4.26Å
292R89.1Confident92.9Very high130 Ų13053.4 Ų53.449%0.49124%0.244SC..THydrogen-bonded Turntrans-64.8-25.4175.2179.5176.5-179.6178.13.1112.3I288I288-R292 WeakPolarHBondContact O-CB 3.46Å; I288-R292 PolarHBondContact O-N 2.93Å
293D91.4Very high92.9Very high67 Ų6752.1 Ų52.136%0.35824%0.241SC..SBendtrans-75.3122.7172.8178-88.5000110.2L291 D295 R296 C297L291-D293 PolarHBondContact O-N 2.93Å; D293-D295 VanDerWaalsContact C-N 3.31Å; D293-D295 PolarHBondContact O-N 3.28Å; D293-D295 PolarHBondContact OD1-N 3.19Å; D293-R296 HydrophobicContact CB-CB 4.23Å; D293-R296 HydrophobicContact CB-CG 4.44Å; D293-R296 VanDerWaalsContact CB-NE 3.34Å; D293-R296 VanDerWaalsContact CB-NH2 3.29Å; D293-R296 PolarHBondContact O-N 3.42Å; D293-R296 WeakPolarHBondContact OD1-CG 3.41Å; D293-R296 PolarHBondContact OD1-N 3.23Å; D293-R296 IonicContact OD1-NE 3.84Å; D293-C297 PolarHBondContact O-N 3.04Å
294E88.4Confident92.7Very high116 Ų11652.6 Ų52.654%0.54224%0.244SC..Hα-helixtrans-64.2-36.5-169.9-47.3-150.9133.700112.8C297 R298 Q340E294-C297 PolarHBondContact O-N 3.38Å; E294-R298 VanDerWaalsContact O-CB 3.23Å; E294-R298 WeakPolarHBondContact O-CB 3.27Å; E294-R298 PolarHBondContact O-N 2.66Å; E294-Q340 VanDerWaalsContact CG-NE2 3.31Å; E294-Q340 PolarHBondContact OE1-NE2 3.2Å
295D91.8Very high92.2Very high113 Ų11356.4 Ų56.460%0.60426%0.261SS*.Hα-helixtrans-69.9-42.8-178.8-71.6-31.4000110.5D293 R298 D299D293-D295 VanDerWaalsContact C-N 3.31Å; D293-D295 PolarHBondContact O-N 3.28Å; D293-D295 PolarHBondContact OD1-N 3.19Å; D295-R298 PolarHBondContact O-N 3.27Å; D295-D299 WeakPolarHBondContact O-CB 3.36Å; D295-D299 PolarHBondContact O-N 3.06Å
296R92.9Very high91.6Very high76 Ų7653.4 Ų53.429%0.28725%0.25SS..Hα-helixtrans-64.9-42.2173.6-72.8-174.4-73.7170.210.3112.3D247 M289 F290 D293 D299 V300D247-R296 IonicContact OD2-CZ 2.74Å; D247-R296 IonicContact OD2-NH1 3.94Å; D247-R296 PolarHBondContact OD2-NH1 3.48Å; M289-R296 PolarHBondContact O-NH2 2.82Å; F290-R296 HydrophobicContact CE1-CB 4.34Å; F290-R296 HydrophobicContact CZ-CB 4.41Å; F290-R296 HydrophobicContact CZ-CG 4.42Å; F290-R296 VanDerWaalsContact O-CZ 3.3Å; F290-R296 PolarHBondContact O-NE 3.07Å; F290-R296 PolarHBondContact O-NH2 2.56Å; D293-R296 HydrophobicContact CB-CB 4.23Å; D293-R296 HydrophobicContact CB-CG 4.44Å; D293-R296 VanDerWaalsContact CB-NE 3.34Å; D293-R296 VanDerWaalsContact CB-NH2 3.29Å; D293-R296 PolarHBondContact O-N 3.42Å; D293-R296 WeakPolarHBondContact OD1-CG 3.41Å; D293-R296 PolarHBondContact OD1-N 3.23Å; D293-R296 IonicContact OD1-NE 3.84Å; R296-D299 PolarHBondContact O-N 3.17Å; R296-V300 WeakPolarHBondContact O-CG2 3.38Å; R296-V300 PolarHBondContact O-N 3.44Å
297C93Very high91.2Very high3 Ų350.7 Ų50.72%0.0224%0.239CC..Hα-helixtrans-62.8-43.9176.5-173.90000111.5L291 D293 E294 V300 C301L291-C297 WeakPolarHBondContact O-CB 3.45Å; D293-C297 PolarHBondContact O-N 3.04Å; E294-C297 PolarHBondContact O-N 3.38Å; C297-V300 PolarHBondContact O-N 3.39Å; C297-C301 WeakPolarHBondContact O-CB 3.23Å; C297-C301 PolarHBondContact O-N 3.32Å; C297-C301 PolarHBondContact O-SG 3.45Å
298R91.6Very high91Very high127 Ų12752 Ų5248%0.47925%0.245SC..Hα-helixtrans-61-48.2176.6-173-174.1-53.1171.78.8111.6E294 D295 V300 C301 E302E294-R298 VanDerWaalsContact O-CB 3.23Å; E294-R298 WeakPolarHBondContact O-CB 3.27Å; E294-R298 PolarHBondContact O-N 2.66Å; D295-R298 PolarHBondContact O-N 3.27Å; R298-V300 VanDerWaalsContact C-N 3.32Å; R298-V300 PolarHBondContact O-N 3.44Å; R298-C301 PolarHBondContact O-N 2.99Å; R298-C301 VanDerWaalsContact O-N 3.15Å; R298-E302 WeakPolarHBondContact CD-OE1 3.44Å; R298-E302 HydrophobicContact CG-CG 4.2Å; R298-E302 VanDerWaalsContact CG-OE1 3.32Å; R298-E302 WeakPolarHBondContact CG-OE1 3.49Å; R298-E302 WeakPolarHBondContact O-CB 3.38Å; R298-E302 WeakPolarHBondContact O-CG 3.2Å; R298-E302 PolarHBondContact O-N 3.48Å
299D93.1Very high90.9Very high63 Ų6351.9 Ų51.934%0.33724%0.244SC..Hα-helixtrans-59.5-40.5178.1167.467.9000112.5R251 D295 R296 S303R251-D299 IonicContact CZ-OD1 2.95Å; R251-D299 IonicContact CZ-OD2 3.87Å; R251-D299 IonicContact NE-OD1 3.67Å; R251-D299 IonicContact NE-OD2 3.58Å; R251-D299 PolarHBondContact NE-OD2 2.98Å; R251-D299 VanDerWaalsContact NH2-CG 3.25Å; R251-D299 IonicContact NH2-OD1 3.76Å; R251-D299 PolarHBondContact NH2-OD1 3.1Å; R251-D299 IonicContact NH2-OD2 2.75Å; R251-D299 PolarHBondContact NH2-OD2 3.49Å; D295-D299 WeakPolarHBondContact O-CB 3.36Å; D295-D299 PolarHBondContact O-N 3.06Å; R296-D299 PolarHBondContact O-N 3.17Å; D299-S303 WeakPolarHBondContact O-CB 3.49Å; D299-S303 PolarHBondContact O-N 3.02Å; D299-S303 PolarHBondContact O-OG 2.77Å
300V94.1Very high90.9Very high1 Ų148.5 Ų48.51%0.00623%0.228CC..Hα-helixtrans-64.7-46.3173.6170.80000111R251 I255 F290 L291 R296 C297 R298 S303 L304 L312R251-V300 HydrophobicContact CG-CG2 4.38Å; I255-V300 HydrophobicContact CG1-CG1 4.03Å; I255-V300 HydrophobicContact CG1-CG2 4.45Å; F290-V300 HydrophobicContact CE1-CG2 4.15Å; L291-V300 HydrophobicContact CD2-CB 4.23Å; L291-V300 HydrophobicContact CD2-CG1 4.38Å; L291-V300 HydrophobicContact CD2-CG2 4.05Å; R296-V300 WeakPolarHBondContact O-CG2 3.38Å; R296-V300 PolarHBondContact O-N 3.44Å; C297-V300 PolarHBondContact O-N 3.39Å; R298-V300 VanDerWaalsContact C-N 3.32Å; R298-V300 PolarHBondContact O-N 3.44Å; V300-S303 WeakPolarHBondContact O-CB 3.17Å; V300-S303 PolarHBondContact O-N 3.46Å; V300-L304 HydrophobicContact CG1-CD1 4.17Å; V300-L304 WeakPolarHBondContact O-CG 3.28Å; V300-L304 PolarHBondContact O-N 2.95Å; V300-L312 HydrophobicContact CG1-CD2 3.86Å
301C92.9Very high90.9Very high2 Ų248 Ų481%0.01423%0.225CC..Hα-helixtrans-66.1-40.3180-67.90000112.4C297 R298 S303 L304 T309 Y344C297-C301 WeakPolarHBondContact O-CB 3.23Å; C297-C301 PolarHBondContact O-N 3.32Å; C297-C301 PolarHBondContact O-SG 3.45Å; R298-C301 PolarHBondContact O-N 2.99Å; R298-C301 VanDerWaalsContact O-N 3.15Å; C301-S303 VanDerWaalsContact C-N 3.29Å; C301-S303 PolarHBondContact O-N 3.27Å; C301-L304 CarbonylContact O-C 3.6Å; C301-L304 WeakPolarHBondContact O-CA 3.37Å; C301-L304 PolarHBondContact O-N 2.86Å; C301-T309 HydrophobicContact CB-CG2 4.4Å; C301-Y344 HydrophobicContact CB-CD1 3.76Å; C301-Y344 HydrophobicContact CB-CD2 3.69Å; C301-Y344 HydrophobicContact CB-CE1 4.03Å; C301-Y344 HydrophobicContact CB-CE2 3.95Å; C301-Y344 HydrophobicContact CB-CG 3.59Å; C301-Y344 WeakPolarHBondContact O-CE1 3.16Å; C301-Y344 PolarHBondContact O-OH 3.21Å; C301-Y344 VanDerWaalsContact O-OH 3.1Å
302E91.3Very high91.1Very high125 Ų12548 Ų4858%0.58423%0.225SC*.Hα-helixtrans-67.5-29.8176.4-74.6177.6-179.200112.6R298 L304 Y344R298-E302 WeakPolarHBondContact CD-OE1 3.44Å; R298-E302 HydrophobicContact CG-CG 4.2Å; R298-E302 VanDerWaalsContact CG-OE1 3.32Å; R298-E302 WeakPolarHBondContact CG-OE1 3.49Å; R298-E302 WeakPolarHBondContact O-CB 3.38Å; R298-E302 WeakPolarHBondContact O-CG 3.2Å; R298-E302 PolarHBondContact O-N 3.48Å; E302-L304 PolarHBondContact O-N 2.95Å; E302-Y344 HydrophobicContact CG-CE2 3.9Å
303S91.8Very high91.4Very high56 Ų5641.8 Ų41.839%0.39220%0.202SC..THydrogen-bonded Turntrans-72-14.3171.4-60.70000112.9R251 D299 V300 C301R251-S303 PolarHBondContact NH2-OG 3.27Å; D299-S303 WeakPolarHBondContact O-CB 3.49Å; D299-S303 PolarHBondContact O-N 3.02Å; D299-S303 PolarHBondContact O-OG 2.77Å; V300-S303 WeakPolarHBondContact O-CB 3.17Å; V300-S303 PolarHBondContact O-N 3.46Å; C301-S303 VanDerWaalsContact C-N 3.29Å; C301-S303 PolarHBondContact O-N 3.27Å
304L88.4Confident91.6Very high11 Ų1138.6 Ų38.66%0.05819%0.185CC..SBendtrans-108.7153.3179-65.3174.5000110.5I255 V300 C301 E302 H308 T309 L312 Y344I255-L304 HydrophobicContact CB-CD2 4.49Å; I255-L304 HydrophobicContact CG2-CD2 3.97Å; I255-L304 WeakPolarHBondContact O-CD2 3.48Å; V300-L304 HydrophobicContact CG1-CD1 4.17Å; V300-L304 WeakPolarHBondContact O-CG 3.28Å; V300-L304 PolarHBondContact O-N 2.95Å; C301-L304 CarbonylContact O-C 3.6Å; C301-L304 WeakPolarHBondContact O-CA 3.37Å; C301-L304 PolarHBondContact O-N 2.86Å; E302-L304 PolarHBondContact O-N 2.95Å; L304-H308 HydrophobicContact CB-CB 4.28Å; L304-H308 HydrophobicContact CD2-CB 4.13Å; L304-T309 WeakPolarHBondContact CB-OG1 3.42Å; L304-L312 HydrophobicContact CD1-CB 4.38Å; L304-L312 HydrophobicContact CD1-CD2 3.88Å; L304-Y344 PolarHBondContact O-OH 3.28Å
305E84.1Confident92Very high84 Ų8433.1 Ų33.139%0.39316%0.159SC..  trans-80.1155.8164.7-61.9-173.8157.300110C307 H308 T309 Q368E305-C307 PolarHBondContact O-N 2.89Å; E305-H308 WeakPolarHBondContact O-CA 3.49Å; E305-H308 PolarHBondContact O-N 3.2Å; E305-T309 PolarHBondContact O-N 3.37Å; E305-T309 PolarHBondContact O-OG1 3.02Å; E305-Q368 PolarHBondContact OE2-NE2 3.24Å
306G83.6Confident92.2Very high0 Ų027.8 Ų27.80%013%0.131CC..Hα-helixtrans-48.9-40.3-17700000114.6T309 L310G306-T309 PolarHBondContact O-N 3.15Å; G306-L310 PolarHBondContact O-N 3.3Å
307C86.9Confident92.4Very high4 Ų424.1 Ų24.13%0.02712%0.117CC..Hα-helixtrans-70.2-32177.5-53.20000113.8E305 L310 C311 Q368 L374E305-C307 PolarHBondContact O-N 2.89Å; C307-L310 WeakPolarHBondContact O-CB 3.33Å; C307-L310 PolarHBondContact O-N 3.43Å; C307-C311 PolarHBondContact O-N 3.34Å; C307-C311 PolarHBondContact O-SG 3.39Å; C307-Q368 PolarHBondContact SG-OE1 3.15Å; C307-L374 HydrophobicContact CB-CD2 3.35Å
308H90.3Very high92.5Very high26 Ų2624.8 Ų24.812%0.1212%0.119CC..Hα-helixtrans-77.5-30.6175.8-68.693.1000111.6L304 E305 L310 C311 L312L304-H308 HydrophobicContact CB-CB 4.28Å; L304-H308 HydrophobicContact CD2-CB 4.13Å; E305-H308 WeakPolarHBondContact O-CA 3.49Å; E305-H308 PolarHBondContact O-N 3.2Å; H308-L310 VanDerWaalsContact C-N 3.32Å; H308-C311 WeakPolarHBondContact O-CB 3.47Å; H308-C311 PolarHBondContact O-N 2.95Å; H308-L312 PolarHBondContact O-N 3.36Å
309T93.6Very high92.7Very high0 Ų018.9 Ų18.90%010%0.097CC..Hα-helixtrans-61.1-42.2167.3-56.90000110.8C301 L304 E305 G306 C311 L312 M313 M341 Y344C301-T309 HydrophobicContact CB-CG2 4.4Å; L304-T309 WeakPolarHBondContact CB-OG1 3.42Å; E305-T309 PolarHBondContact O-N 3.37Å; E305-T309 PolarHBondContact O-OG1 3.02Å; G306-T309 PolarHBondContact O-N 3.15Å; T309-C311 VanDerWaalsContact C-N 3.34Å; T309-C311 PolarHBondContact O-N 3.09Å; T309-L312 PolarHBondContact O-N 3.49Å; T309-M313 WeakPolarHBondContact O-CB 3.34Å; T309-M313 PolarHBondContact O-N 3.21Å; T309-M341 HydrophobicContact CG2-CB 4.31Å; T309-M341 HydrophobicContact CG2-CE 3.7Å; T309-M341 VanDerWaalsContact O-CE 3.31Å; T309-M341 WeakPolarHBondContact O-CE 3.24Å; T309-Y344 HydrophobicContact CG2-CD1 4.09Å
310L92.8Very high92.6Very high2 Ų215.9 Ų15.91%0.018%0.081CC..Hα-helixtrans-61.4-39.9171.4-75.6-178.2000112.7G306 C307 H308 M313 S314 V362 L363 L474G306-L310 PolarHBondContact O-N 3.3Å; C307-L310 WeakPolarHBondContact O-CB 3.33Å; C307-L310 PolarHBondContact O-N 3.43Å; H308-L310 VanDerWaalsContact C-N 3.32Å; L310-M313 HydrophobicContact CD2-CE 3.63Å; L310-M313 PolarHBondContact O-N 2.65Å; L310-S314 VanDerWaalsContact O-CB 3.26Å; L310-S314 WeakPolarHBondContact O-CB 3.2Å; L310-S314 PolarHBondContact O-N 3.38Å; L310-S314 PolarHBondContact O-OG 3.35Å; L310-V362 HydrophobicContact CD1-CB 4.4Å; L310-V362 HydrophobicContact CD1-CG1 4.07Å; L310-L363 HydrophobicContact CD1-CD1 3.56Å; L310-L363 HydrophobicContact CD1-CD2 3.87Å; L310-L363 HydrophobicContact CD1-CG 3.55Å; L310-L363 HydrophobicContact CG-CD1 4.34Å; L310-L474 HydrophobicContact CD2-CD2 4.18Å
311C94.6Very high92.6Very high0 Ų017.5 Ų17.50%09%0.093CC..Hα-helixtrans-62.6-44.8176.2-66.90000111.7S259 C307 H308 T309 S314 N315 I381S259-C311 WeakPolarHBondContact O-CB 3.35Å; C307-C311 PolarHBondContact O-N 3.34Å; C307-C311 PolarHBondContact O-SG 3.39Å; H308-C311 WeakPolarHBondContact O-CB 3.47Å; H308-C311 PolarHBondContact O-N 2.95Å; T309-C311 VanDerWaalsContact C-N 3.34Å; T309-C311 PolarHBondContact O-N 3.09Å; C311-S314 PolarHBondContact O-N 3.19Å; C311-N315 WeakPolarHBondContact O-CB 3.18Å; C311-N315 PolarHBondContact O-N 2.93Å; C311-N315 PolarHBondContact O-ND2 3.21Å; C311-I381 HydrophobicContact CB-CD1 4.42Å
312L96.5Very high92.5Very high1 Ų120.4 Ų20.41%0.00511%0.108CC..Hα-helixtrans-58.3-50.4174.3176.459.9000111L254 M258 V300 L304 H308 T309 S314 N315 L316 M341L254-L312 HydrophobicContact CD2-CD1 4.07Å; M258-L312 HydrophobicContact CB-CD1 3.43Å; M258-L312 VanDerWaalsContact CB-CD1 3.43Å; M258-L312 WeakPolarHBondContact O-CA 3.49Å; V300-L312 HydrophobicContact CG1-CD2 3.86Å; L304-L312 HydrophobicContact CD1-CB 4.38Å; L304-L312 HydrophobicContact CD1-CD2 3.88Å; H308-L312 PolarHBondContact O-N 3.36Å; T309-L312 PolarHBondContact O-N 3.49Å; L312-S314 VanDerWaalsContact C-N 3.32Å; L312-S314 PolarHBondContact O-N 3.48Å; L312-N315 PolarHBondContact O-N 2.82Å; L312-L316 HydrophobicContact CD1-CD1 4.18Å; L312-L316 HydrophobicContact CD1-CG 4.26Å; L312-L316 HydrophobicContact CG-CD1 4.16Å; L312-L316 WeakPolarHBondContact O-CG 3.23Å; L312-L316 PolarHBondContact O-N 3.08Å; L312-M341 HydrophobicContact CB-CE 3.95Å; L312-M341 HydrophobicContact CD2-CE 3.8Å; L312-M341 HydrophobicContact CG-CE 3.75Å
313M96.3Very high92.5Very high1 Ų115.2 Ų15.21%0.0059%0.085CC..Hα-helixtrans-58.7-43.9179.1-169.4177.87400111.7T309 L310 L316 L317 L338 M341 L342 L385T309-M313 WeakPolarHBondContact O-CB 3.34Å; T309-M313 PolarHBondContact O-N 3.21Å; L310-M313 HydrophobicContact CD2-CE 3.63Å; L310-M313 PolarHBondContact O-N 2.65Å; M313-L316 PolarHBondContact O-N 3.16Å; M313-L317 HydrophobicContact CG-CD1 4.35Å; M313-L317 WeakPolarHBondContact O-CG 3.34Å; M313-L317 PolarHBondContact O-N 3.29Å; M313-L338 HydrophobicContact CG-CD2 3.56Å; M313-L338 HydrophobicContact SD-CD2 4.33Å; M313-M341 HydrophobicContact CB-CE 3.72Å; M313-M341 HydrophobicContact CB-SD 4.02Å; M313-M341 HydrophobicContact CG-CE 4.5Å; M313-M341 HydrophobicContact CG-SD 4.18Å; M313-M341 HydrophobicContact SD-CB 4.11Å; M313-L342 HydrophobicContact CE-CD2 3.75Å; M313-L342 HydrophobicContact CE-CG 4.34Å; M313-L342 HydrophobicContact SD-CD2 3.93Å; M313-L342 HydrophobicContact SD-CG 3.85Å; M313-L385 HydrophobicContact CE-CD2 3.36Å
314S96.1Very high92.4Very high0 Ų015.3 Ų15.30%09%0.085CC..Hα-helixtrans-65.6-40.4179.6-58.80000112.4L310 C311 L312 L317 H318 I381 Q384 L385L310-S314 VanDerWaalsContact O-CB 3.26Å; L310-S314 WeakPolarHBondContact O-CB 3.2Å; L310-S314 PolarHBondContact O-N 3.38Å; L310-S314 PolarHBondContact O-OG 3.35Å; C311-S314 PolarHBondContact O-N 3.19Å; L312-S314 VanDerWaalsContact C-N 3.32Å; L312-S314 PolarHBondContact O-N 3.48Å; S314-L317 PolarHBondContact O-N 2.96Å; S314-H318 PolarHBondContact O-N 3.25Å; S314-I381 WeakPolarHBondContact OG-CG2 3.31Å; S314-Q384 PolarHBondContact O-NE2 3.45Å; S314-L385 VanDerWaalsContact OG-CD2 3.23Å; S314-L385 WeakPolarHBondContact OG-CD2 3.22Å; S314-L385 WeakPolarHBondContact OG-CG 3.2Å
315N96.8Very high92.5Very high0 Ų022.5 Ų22.50%012%0.115CC..Hα-helixtrans-66.2-39.5173.9-76.2-34.6000111.9M258 V260 L263 V264 C311 L312 H318 L319 Q384M258-N315 HydrophobicContact CE-CB 3.99Å; M258-N315 PolarHBondContact O-ND2 3.03Å; V260-N315 PolarHBondContact O-ND2 3.03Å; L263-N315 PolarHBondContact N-OD1 3.27Å; L263-N315 VanDerWaalsContact N-OD1 3.16Å; V264-N315 HydrophobicContact CG2-CB 3.78Å; V264-N315 PolarHBondContact N-OD1 2.89Å; V264-N315 VanDerWaalsContact N-OD1 3.17Å; C311-N315 WeakPolarHBondContact O-CB 3.18Å; C311-N315 PolarHBondContact O-N 2.93Å; C311-N315 PolarHBondContact O-ND2 3.21Å; L312-N315 PolarHBondContact O-N 2.82Å; N315-H318 PolarHBondContact O-N 3.27Å; N315-L319 WeakPolarHBondContact O-CB 3.43Å; N315-L319 PolarHBondContact O-N 3.37Å; N315-Q384 PolarHBondContact OD1-NE2 2.8Å
316L96.5Very high92.9Very high1 Ų119.1 Ų19.11%0.00510%0.101CC..Hα-helixtrans-65.2-41.2174.8-69.1173.3000112.1M258 F287 L291 L312 M313 L319 G320 F334 L337 M341M258-L316 HydrophobicContact CE-CD2 4.42Å; F287-L316 HydrophobicContact CB-CD2 4.1Å; F287-L316 HydrophobicContact CD2-CD2 3.88Å; F287-L316 HydrophobicContact CG-CD2 4.35Å; L291-L316 HydrophobicContact CD1-CD1 4.01Å; L312-L316 HydrophobicContact CD1-CD1 4.18Å; L312-L316 HydrophobicContact CD1-CG 4.26Å; L312-L316 HydrophobicContact CG-CD1 4.16Å; L312-L316 WeakPolarHBondContact O-CG 3.23Å; L312-L316 PolarHBondContact O-N 3.08Å; M313-L316 PolarHBondContact O-N 3.16Å; L316-L319 PolarHBondContact O-N 3.17Å; L316-G320 PolarHBondContact O-N 3.17Å; L316-F334 HydrophobicContact CB-CE2 4.35Å; L316-L337 HydrophobicContact CD1-CD2 4.17Å; L316-M341 HydrophobicContact CD1-SD 4.32Å
317L96.4Very high93.3Very high0 Ų019.1 Ų19.10%010%0.101CC..Hα-helixtrans-60.6-47.1174.3-78.9167.1000112.3M313 S314 G320 S321 F334 L338 L385 L388 L393M313-L317 HydrophobicContact CG-CD1 4.35Å; M313-L317 WeakPolarHBondContact O-CG 3.34Å; M313-L317 PolarHBondContact O-N 3.29Å; S314-L317 PolarHBondContact O-N 2.96Å; L317-G320 PolarHBondContact O-N 3.27Å; L317-S321 PolarHBondContact O-N 2.92Å; L317-F334 HydrophobicContact CD2-CE1 4.12Å; L317-F334 HydrophobicContact CD2-CZ 4.13Å; L317-L338 HydrophobicContact CD2-CD1 3.71Å; L317-L338 HydrophobicContact CD2-CD2 4.16Å; L317-L338 HydrophobicContact CG-CD2 4.08Å; L317-L385 HydrophobicContact CD1-CD2 4.03Å; L317-L388 HydrophobicContact CD1-CB 4.03Å; L317-L388 HydrophobicContact CD2-CB 3.95Å; L317-L388 HydrophobicContact CD2-CD1 4.11Å; L317-L393 HydrophobicContact CD2-CD2 4.03Å
318H95.7Very high93.5Very high16 Ų1624.7 Ų24.77%0.07413%0.126CC..Hα-helixtrans-63-44.3176.5-166.4171.4000110.8V264 T265 S314 N315 G320 S321 L322 Q384 F387V264-H318 HydrophobicContact CB-CB 4.18Å; V264-H318 HydrophobicContact CG1-CB 3.95Å; T265-H318 PolarHBondContact N-ND1 2.95Å; T265-H318 PolarHBondContact OG1-CE1 3.4Å; T265-H318 PolarHBondContact OG1-ND1 3.49Å; S314-H318 PolarHBondContact O-N 3.25Å; N315-H318 PolarHBondContact O-N 3.27Å; H318-G320 VanDerWaalsContact C-N 3.29Å; H318-G320 PolarHBondContact O-N 3.15Å; H318-S321 PolarHBondContact O-N 3.43Å; H318-S321 VanDerWaalsContact O-N 3.16Å; H318-S321 PolarHBondContact O-OG 3.12Å; H318-L322 PolarHBondContact O-N 3.16Å; H318-Q384 HydrophobicContact CB-CG 4.08Å; H318-Q384 PolarHBondContact ND1-NE2 3.15Å; H318-F387 HydrophobicContact CB-CD2 4.14Å; H318-F387 HydrophobicContact CB-CE2 4.07Å; H318-F387 AromaticContact CD2-CE2 3.51Å; H318-F387 AromaticContact CD2-CZ 3.9Å; H318-F387 AromaticContact CG-CE2 3.67Å; H318-F387 AromaticContact NE2-CE2 3.93Å
319L94.4Very high93.5Very high3 Ų329.6 Ų29.62%0.01615%0.149CC..Hα-helixtrans-62.1-38.5176.2-172.363.8000111.9L278 L284 F287 N315 L316 L322 S323L278-L319 HydrophobicContact CD1-CD1 4.34Å; L284-L319 HydrophobicContact CB-CD2 4Å; L284-L319 HydrophobicContact CB-CG 4.22Å; L284-L319 HydrophobicContact CD1-CD2 4.16Å; L284-L319 HydrophobicContact CD1-CG 4.3Å; F287-L319 HydrophobicContact CD2-CD2 4.19Å; F287-L319 HydrophobicContact CE2-CD2 4.11Å; N315-L319 WeakPolarHBondContact O-CB 3.43Å; N315-L319 PolarHBondContact O-N 3.37Å; L316-L319 PolarHBondContact O-N 3.17Å; L319-L322 PolarHBondContact O-N 3.29Å; L319-S323 PolarHBondContact O-N 2.89Å
320G92.5Very high93.5Very high0 Ų030.9 Ų30.90%016%0.155CC..Hα-helixtrans-57.3-45.917200000112.9L316 L317 H318 L322 S323 L327L316-G320 PolarHBondContact O-N 3.17Å; L317-G320 PolarHBondContact O-N 3.27Å; H318-G320 VanDerWaalsContact C-N 3.29Å; H318-G320 PolarHBondContact O-N 3.15Å; G320-L322 PolarHBondContact O-N 3.27Å; G320-S323 CarbonylContact O-C 3.58Å; G320-S323 PolarHBondContact O-N 3.15Å; G320-L327 VanDerWaalsContact C-CD1 3.4Å; G320-L327 WeakPolarHBondContact O-CD1 3.28Å
321S92.4Very high93.5Very high36 Ų3631 Ų3125%0.25216%0.156SC..Hα-helixtrans-62-25.917877.10000113.8L317 H318L317-S321 PolarHBondContact O-N 2.92Å; H318-S321 PolarHBondContact O-N 3.43Å; H318-S321 VanDerWaalsContact O-N 3.16Å; H318-S321 PolarHBondContact O-OG 3.12Å
322L91.3Very high93.3Very high63 Ų6334.9 Ų34.933%0.3318%0.177SC..Hα-helixtrans-84.2-21.1176.6-62.7172.8000112.5V264 L275 H318 L319 G320 P324V264-L322 HydrophobicContact CG1-CD1 4.18Å; L275-L322 HydrophobicContact CD1-CD1 3.93Å; H318-L322 PolarHBondContact O-N 3.16Å; L319-L322 PolarHBondContact O-N 3.29Å; G320-L322 PolarHBondContact O-N 3.27Å; L322-P324 VanDerWaalsContact C-CD 3.41Å; L322-P324 WeakPolarHBondContact O-CD 3.42Å
323S91.2Very high93.2Very high15 Ų1534.9 Ų34.911%0.10518%0.177CC..  trans-123.162.8-175.1-65.40000112.4L319 G320 K325 V326 L327L319-S323 PolarHBondContact O-N 2.89Å; G320-S323 CarbonylContact O-C 3.58Å; G320-S323 PolarHBondContact O-N 3.15Å; S323-K325 VanDerWaalsContact C-N 3.32Å; S323-K325 PolarHBondContact O-N 3.27Å; S323-V326 PolarHBondContact O-N 2.85Å; S323-L327 PolarHBondContact O-N 3.22Å
324P90Very high93.1Very high58 Ų5834.8 Ų34.838%0.37718%0.177SC..Hα-helixtrans-60.7-36.5-172.923.6-34.1000113.4L322 V326 L327 E328 I396L322-P324 VanDerWaalsContact C-CD 3.41Å; L322-P324 WeakPolarHBondContact O-CD 3.42Å; P324-V326 VanDerWaalsContact C-N 3.33Å; P324-V326 PolarHBondContact O-N 3.35Å; P324-L327 WeakPolarHBondContact O-CB 3.39Å; P324-L327 PolarHBondContact O-N 2.92Å; P324-L327 VanDerWaalsContact O-N 3.15Å; P324-E328 WeakPolarHBondContact O-CG 3.44Å; P324-E328 PolarHBondContact O-N 2.84Å; P324-I396 HydrophobicContact CB-CD1 3.92Å
325K90.7Very high93.1Very high162 Ų16234.9 Ų34.970%0.70418%0.177SC*.Hα-helixtrans-59.7-41.5177.8-64.9-176.3178.9-178.30112.8S323 L327 E328 E329S323-K325 VanDerWaalsContact C-N 3.32Å; S323-K325 PolarHBondContact O-N 3.27Å; K325-L327 VanDerWaalsContact C-N 3.33Å; K325-E328 PolarHBondContact O-N 3.43Å; K325-E329 PolarHBondContact O-N 3.45Å
326V92.6Very high92.9Very high14 Ų1437 Ų379%0.08519%0.192CC..Hα-helixtrans-68.2-38.4178.3177.30000110.3L284 R285 S323 P324 E329 E330L284-V326 HydrophobicContact CB-CG1 4.3Å; L284-V326 HydrophobicContact CD2-CB 4.16Å; L284-V326 HydrophobicContact CD2-CG1 4Å; L284-V326 HydrophobicContact CG-CG1 4.1Å; R285-V326 HydrophobicContact CB-CG1 3.81Å; S323-V326 PolarHBondContact O-N 2.85Å; P324-V326 VanDerWaalsContact C-N 3.33Å; P324-V326 PolarHBondContact O-N 3.35Å; V326-E329 PolarHBondContact O-N 3.47Å; V326-E330 WeakPolarHBondContact O-CB 3.47Å; V326-E330 PolarHBondContact O-N 3.47Å
327L91.5Very high92.9Very high0 Ų037 Ų370%019%0.192CC..Hα-helixtrans-66.2-39.8175.5-74.3-173.2000112.8L284 I288 G320 S323 P324 K325 E329 E330 T331 F334 L393 I396L284-L327 HydrophobicContact CD2-CD2 4.19Å; L284-L327 HydrophobicContact CD2-CG 4.31Å; I288-L327 HydrophobicContact CD1-CD2 4.49Å; G320-L327 VanDerWaalsContact C-CD1 3.4Å; G320-L327 WeakPolarHBondContact O-CD1 3.28Å; S323-L327 PolarHBondContact O-N 3.22Å; P324-L327 WeakPolarHBondContact O-CB 3.39Å; P324-L327 PolarHBondContact O-N 2.92Å; P324-L327 VanDerWaalsContact O-N 3.15Å; K325-L327 VanDerWaalsContact C-N 3.33Å; L327-E329 VanDerWaalsContact C-N 3.29Å; L327-E329 PolarHBondContact O-N 2.81Å; L327-E330 CarbonylContact O-C 3.47Å; L327-E330 PolarHBondContact O-N 3.19Å; L327-T331 VanDerWaalsContact O-CA 3.26Å; L327-T331 WeakPolarHBondContact O-CA 3.33Å; L327-T331 WeakPolarHBondContact O-CB 3.41Å; L327-T331 PolarHBondContact O-N 3.49Å; L327-T331 PolarHBondContact O-OG1 3.33Å; L327-F334 HydrophobicContact CD1-CE1 4.4Å; L327-F334 HydrophobicContact CD2-CB 4.16Å; L327-F334 HydrophobicContact CD2-CD1 3.37Å; L327-F334 HydrophobicContact CD2-CD2 4.08Å; L327-F334 HydrophobicContact CD2-CE1 3.61Å; L327-F334 HydrophobicContact CD2-CE2 4.29Å; L327-F334 HydrophobicContact CD2-CG 3.61Å; L327-F334 HydrophobicContact CD2-CZ 4.07Å; L327-L393 HydrophobicContact CD1-CD2 4.39Å; L327-L393 HydrophobicContact CD1-CG 4.33Å; L327-I396 HydrophobicContact CB-CD1 4.45Å; L327-I396 HydrophobicContact CB-CG2 4.26Å
328E90.8Very high92.8Very high121 Ų12137 Ų3757%0.56519%0.192SC*.Hα-helixtrans-59.4-40.4176.2-75.2171.9-174.100111.7P324 K325 T331 I396P324-E328 WeakPolarHBondContact O-CG 3.44Å; P324-E328 PolarHBondContact O-N 2.84Å; K325-E328 PolarHBondContact O-N 3.43Å; E328-T331 PolarHBondContact O-OG1 2.84Å; E328-I396 HydrophobicContact CG-CG1 4.23Å; E328-I396 HydrophobicContact CG-CG2 4Å
329E91.7Very high92.8Very high128 Ų12837.2 Ų37.260%0.59820%0.195SC*.Hα-helixtrans-77-36.1178.4-67.1-179.4-146.100113.5R285 K325 V326 L327R285-E329 IonicContact CZ-OE2 3.5Å; R285-E329 VanDerWaalsContact CZ-OE2 3.25Å; R285-E329 IonicContact NH1-OE2 2.85Å; R285-E329 PolarHBondContact NH1-OE2 2.82Å; R285-E329 VanDerWaalsContact NH2-CD 3.34Å; R285-E329 IonicContact NH2-OE1 2.91Å; R285-E329 IonicContact NH2-OE2 2.71Å; R285-E329 PolarHBondContact NH2-OE2 2.85Å; K325-E329 PolarHBondContact O-N 3.45Å; V326-E329 PolarHBondContact O-N 3.47Å; L327-E329 VanDerWaalsContact C-N 3.29Å; L327-E329 PolarHBondContact O-N 2.81Å
330E93.4Very high92.8Very high27 Ų2738.6 Ų38.613%0.12620%0.201CC..SBendtrans-109.425.9-174-59.4-66.4168.900113.2R285 I288 M289 V326 L327 D332 G333 F334R285-E330 HydrophobicContact CG-CG 4.12Å; R285-E330 IonicContact CZ-OE1 3.61Å; R285-E330 IonicContact NH1-OE1 3.56Å; R285-E330 PolarHBondContact NH1-OE1 3.42Å; I288-E330 HydrophobicContact CD1-CB 4.05Å; I288-E330 HydrophobicContact CG2-CB 4.23Å; M289-E330 WeakPolarHBondContact CE-OE2 3.41Å; V326-E330 WeakPolarHBondContact O-CB 3.47Å; V326-E330 PolarHBondContact O-N 3.47Å; L327-E330 CarbonylContact O-C 3.47Å; L327-E330 PolarHBondContact O-N 3.19Å; E330-D332 VanDerWaalsContact C-N 3.33Å; E330-D332 PolarHBondContact O-N 2.99Å; E330-G333 PolarHBondContact O-N 2.71Å; E330-F334 PolarHBondContact O-N 2.85Å
331T92.3Very high92.9Very high4 Ų438.7 Ų38.73%0.02520%0.201CC..Hα-helixtrans-53.7-48.7-174.7-660000111.6L327 E328 G333 F334 V335 F397L327-T331 VanDerWaalsContact O-CA 3.26Å; L327-T331 WeakPolarHBondContact O-CA 3.33Å; L327-T331 WeakPolarHBondContact O-CB 3.41Å; L327-T331 PolarHBondContact O-N 3.49Å; L327-T331 PolarHBondContact O-OG1 3.33Å; E328-T331 PolarHBondContact O-OG1 2.84Å; T331-G333 VanDerWaalsContact C-N 3.35Å; T331-G333 PolarHBondContact O-N 3.49Å; T331-F334 PolarHBondContact O-N 3.47Å; T331-V335 HydrophobicContact CG2-CG2 4.1Å; T331-V335 WeakPolarHBondContact O-CB 3.11Å; T331-V335 VanDerWaalsContact O-CG2 3.26Å; T331-V335 WeakPolarHBondContact O-CG2 3.23Å; T331-V335 PolarHBondContact O-N 3.48Å; T331-F397 HydrophobicContact CG2-CD1 3.92Å; T331-F397 HydrophobicContact CG2-CE1 4.49Å
332D91.3Very high93.1Very high82 Ų8237 Ų3744%0.43919%0.189SC..Hα-helixtrans-63.2-41.7-177.3-63.5-17.9000112E330 S336 K459E330-D332 VanDerWaalsContact C-N 3.33Å; E330-D332 PolarHBondContact O-N 2.99Å; D332-S336 WeakPolarHBondContact O-CB 3.38Å; D332-S336 PolarHBondContact O-N 3.45Å; D332-K459 WeakPolarHBondContact OD1-CD 3.39Å; D332-K459 VanDerWaalsContact OD1-CG 3.31Å; D332-K459 WeakPolarHBondContact OD1-CG 3.48Å
333G92.6Very high93.1Very high1 Ų135.9 Ų35.91%0.0119%0.187CC..Hα-helixtrans-64.7-41.4176.700000111.9E330 T331 L337E330-G333 PolarHBondContact O-N 2.71Å; T331-G333 VanDerWaalsContact C-N 3.35Å; T331-G333 PolarHBondContact O-N 3.49Å; G333-L337 VanDerWaalsContact O-CB 3.3Å; G333-L337 WeakPolarHBondContact O-CB 3.43Å; G333-L337 PolarHBondContact O-N 3.31Å
334F95.4Very high93.2Very high0 Ų037.2 Ų37.20%019%0.19CC..Hα-helixtrans-70.6-42.4179.5-166.1-121000112.6L284 I288 L316 L317 L327 E330 T331 L337 L338 L393 F397L284-F334 HydrophobicContact CD1-CE2 4.49Å; I288-F334 HydrophobicContact CD1-CB 4.12Å; I288-F334 HydrophobicContact CD1-CD2 3.83Å; I288-F334 HydrophobicContact CD1-CG 4.28Å; I288-F334 HydrophobicContact CG1-CD2 3.89Å; L316-F334 HydrophobicContact CB-CE2 4.35Å; L317-F334 HydrophobicContact CD2-CE1 4.12Å; L317-F334 HydrophobicContact CD2-CZ 4.13Å; L327-F334 HydrophobicContact CD1-CE1 4.4Å; L327-F334 HydrophobicContact CD2-CB 4.16Å; L327-F334 HydrophobicContact CD2-CD1 3.37Å; L327-F334 HydrophobicContact CD2-CD2 4.08Å; L327-F334 HydrophobicContact CD2-CE1 3.61Å; L327-F334 HydrophobicContact CD2-CE2 4.29Å; L327-F334 HydrophobicContact CD2-CG 3.61Å; L327-F334 HydrophobicContact CD2-CZ 4.07Å; E330-F334 PolarHBondContact O-N 2.85Å; T331-F334 PolarHBondContact O-N 3.47Å; F334-L337 HydrophobicContact CD2-CD2 4.46Å; F334-L337 WeakPolarHBondContact O-CB 3.33Å; F334-L337 PolarHBondContact O-N 2.98Å; F334-L338 HydrophobicContact CD1-CD1 3.88Å; F334-L338 HydrophobicContact CD1-CG 4.49Å; F334-L338 HydrophobicContact CE1-CD1 3.62Å; F334-L338 HydrophobicContact CE1-CG 4.34Å; F334-L338 HydrophobicContact CE2-CD2 4.44Å; F334-L338 HydrophobicContact CE2-CG 4.48Å; F334-L338 HydrophobicContact CG-CD1 4.49Å; F334-L338 HydrophobicContact CZ-CD1 4.02Å; F334-L338 HydrophobicContact CZ-CD2 4.28Å; F334-L338 HydrophobicContact CZ-CG 4.33Å; F334-L338 VanDerWaalsContact O-CG 3.31Å; F334-L338 WeakPolarHBondContact O-CG 3.31Å; F334-L338 PolarHBondContact O-N 2.92Å; F334-L393 HydrophobicContact CE1-CD2 4.42Å; F334-F397 HydrophobicContact CD1-CE1 4.01Å; F334-F397 AromaticContact CD1-CZ 3.83Å; F334-F397 HydrophobicContact CD1-CZ 3.83Å; F334-F397 HydrophobicContact CE1-CZ 4.12Å
335V95.1Very high93.3Very high2 Ų234.5 Ų34.51%0.01217%0.172CC..Hα-helixtrans-62.4-45.2176.4168.50000110.9T331 L338 T339 F397 N462 I463 L466T331-V335 HydrophobicContact CG2-CG2 4.1Å; T331-V335 WeakPolarHBondContact O-CB 3.11Å; T331-V335 VanDerWaalsContact O-CG2 3.26Å; T331-V335 WeakPolarHBondContact O-CG2 3.23Å; T331-V335 PolarHBondContact O-N 3.48Å; V335-L338 PolarHBondContact O-N 3.43Å; V335-T339 WeakPolarHBondContact O-CB 3.44Å; V335-T339 PolarHBondContact O-N 3.4Å; V335-T339 PolarHBondContact O-OG1 3.07Å; V335-F397 HydrophobicContact CG2-CD1 4.22Å; V335-F397 HydrophobicContact CG2-CE1 4.14Å; V335-F397 HydrophobicContact CG2-CE2 4.49Å; V335-F397 HydrophobicContact CG2-CG 4.44Å; V335-F397 HydrophobicContact CG2-CZ 4.28Å; V335-N462 HydrophobicContact CG1-CB 4.16Å; V335-N462 WeakPolarHBondContact CG1-O 3.39Å; V335-I463 HydrophobicContact CG1-CG1 4.24Å; V335-I463 HydrophobicContact CG2-CG1 3.93Å; V335-L466 HydrophobicContact CB-CD2 4.36Å; V335-L466 HydrophobicContact CG1-CB 4.02Å; V335-L466 HydrophobicContact CG1-CD2 4.07Å; V335-L466 HydrophobicContact CG2-CD2 4.15Å
336S93.8Very high93.3Very high45 Ų4530.8 Ų30.832%0.31516%0.157SC..Hα-helixtrans-59.6-48.7176-177.50000111.6D332 L338 T339 Q340D332-S336 WeakPolarHBondContact O-CB 3.38Å; D332-S336 PolarHBondContact O-N 3.45Å; S336-L338 PolarHBondContact O-N 3.11Å; S336-T339 WeakPolarHBondContact O-CB 3.13Å; S336-T339 PolarHBondContact O-N 3.11Å; S336-Q340 WeakPolarHBondContact O-CG 3.41Å; S336-Q340 PolarHBondContact O-N 3.47Å
337L95.1Very high93.1Very high0 Ų036.5 Ų36.50%018%0.181CC..Hα-helixtrans-54.9-53.1176.8169.556.6000112.5L291 L316 G333 F334 T339 Q340 M341L291-L337 HydrophobicContact CB-CD1 3.45Å; L291-L337 VanDerWaalsContact CB-CD1 3.45Å; L291-L337 HydrophobicContact CB-CD2 3.94Å; L291-L337 HydrophobicContact CB-CG 4.29Å; L291-L337 HydrophobicContact CD1-CD1 3.99Å; L291-L337 HydrophobicContact CD1-CD2 3.98Å; L291-L337 HydrophobicContact CG-CD1 4.26Å; L316-L337 HydrophobicContact CD1-CD2 4.17Å; G333-L337 VanDerWaalsContact O-CB 3.3Å; G333-L337 WeakPolarHBondContact O-CB 3.43Å; G333-L337 PolarHBondContact O-N 3.31Å; F334-L337 HydrophobicContact CD2-CD2 4.46Å; F334-L337 WeakPolarHBondContact O-CB 3.33Å; F334-L337 PolarHBondContact O-N 2.98Å; L337-T339 VanDerWaalsContact C-N 3.28Å; L337-T339 PolarHBondContact O-N 2.86Å; L337-Q340 PolarHBondContact O-N 3.3Å; L337-M341 HydrophobicContact CD1-CG 4.05Å; L337-M341 HydrophobicContact CD1-SD 3.95Å; L337-M341 HydrophobicContact CG-SD 4.32Å; L337-M341 WeakPolarHBondContact O-CG 3.32Å; L337-M341 PolarHBondContact O-N 3.41Å
338L95.9Very high93Very high0 Ų037.3 Ų37.30%018%0.184CC..Hα-helixtrans-61.4-39.2-179-67176.6000111.6M313 L317 F334 V335 S336 M341 L342 L388 F397 L466M313-L338 HydrophobicContact CG-CD2 3.56Å; M313-L338 HydrophobicContact SD-CD2 4.33Å; L317-L338 HydrophobicContact CD2-CD1 3.71Å; L317-L338 HydrophobicContact CD2-CD2 4.16Å; L317-L338 HydrophobicContact CG-CD2 4.08Å; F334-L338 HydrophobicContact CD1-CD1 3.88Å; F334-L338 HydrophobicContact CD1-CG 4.49Å; F334-L338 HydrophobicContact CE1-CD1 3.62Å; F334-L338 HydrophobicContact CE1-CG 4.34Å; F334-L338 HydrophobicContact CE2-CD2 4.44Å; F334-L338 HydrophobicContact CE2-CG 4.48Å; F334-L338 HydrophobicContact CG-CD1 4.49Å; F334-L338 HydrophobicContact CZ-CD1 4.02Å; F334-L338 HydrophobicContact CZ-CD2 4.28Å; F334-L338 HydrophobicContact CZ-CG 4.33Å; F334-L338 VanDerWaalsContact O-CG 3.31Å; F334-L338 WeakPolarHBondContact O-CG 3.31Å; F334-L338 PolarHBondContact O-N 2.92Å; V335-L338 PolarHBondContact O-N 3.43Å; S336-L338 PolarHBondContact O-N 3.11Å; L338-M341 PolarHBondContact O-N 3.07Å; L338-L342 WeakPolarHBondContact O-CG 3.15Å; L338-L342 PolarHBondContact O-N 2.92Å; L338-L388 HydrophobicContact CD1-CD1 4.06Å; L338-F397 HydrophobicContact CD1-CZ 4.48Å; L338-L466 HydrophobicContact CB-CD1 3.54Å; L338-L466 HydrophobicContact CB-CD2 4.39Å; L338-L466 HydrophobicContact CD1-CD2 4.17Å
339T95.4Very high92.7Very high21 Ų2132.7 Ų32.713%0.12916%0.164CC..Hα-helixtrans-62.2-46177-54.90000110.9V335 S336 L337 M341 L342 C343 V465 L466V335-T339 WeakPolarHBondContact O-CB 3.44Å; V335-T339 PolarHBondContact O-N 3.4Å; V335-T339 PolarHBondContact O-OG1 3.07Å; S336-T339 WeakPolarHBondContact O-CB 3.13Å; S336-T339 PolarHBondContact O-N 3.11Å; L337-T339 VanDerWaalsContact C-N 3.28Å; L337-T339 PolarHBondContact O-N 2.86Å; T339-M341 PolarHBondContact O-N 3.41Å; T339-L342 PolarHBondContact O-N 3.03Å; T339-C343 WeakPolarHBondContact O-CB 3.34Å; T339-C343 PolarHBondContact O-N 3.39Å; T339-C343 PolarHBondContact O-SG 3.24Å; T339-C343 VanDerWaalsContact O-SG 3.33Å; T339-V465 HydrophobicContact CG2-CG1 4.03Å; T339-L466 WeakPolarHBondContact OG1-CB 3.19Å
340Q94.2Very high92.4Very high32 Ų3229.6 Ų29.615%0.1516%0.157CC..Hα-helixtrans-61.7-42.6177.6-71.1174.1500112.4E294 S336 L337 C343 Y344E294-Q340 VanDerWaalsContact CG-NE2 3.31Å; E294-Q340 PolarHBondContact OE1-NE2 3.2Å; S336-Q340 WeakPolarHBondContact O-CG 3.41Å; S336-Q340 PolarHBondContact O-N 3.47Å; L337-Q340 PolarHBondContact O-N 3.3Å; Q340-C343 PolarHBondContact O-N 3.11Å; Q340-Y344 PolarHBondContact O-N 3.27Å
341M95.3Very high92Very high2 Ų235.8 Ų35.81%0.0119%0.186CC..Hα-helixtrans-64.3-40.4177.5-67.1-176.480.600112.2T309 L312 M313 L316 L337 L338 T339 Y344 C345T309-M341 HydrophobicContact CG2-CB 4.31Å; T309-M341 HydrophobicContact CG2-CE 3.7Å; T309-M341 VanDerWaalsContact O-CE 3.31Å; T309-M341 WeakPolarHBondContact O-CE 3.24Å; L312-M341 HydrophobicContact CB-CE 3.95Å; L312-M341 HydrophobicContact CD2-CE 3.8Å; L312-M341 HydrophobicContact CG-CE 3.75Å; M313-M341 HydrophobicContact CB-CE 3.72Å; M313-M341 HydrophobicContact CB-SD 4.02Å; M313-M341 HydrophobicContact CG-CE 4.5Å; M313-M341 HydrophobicContact CG-SD 4.18Å; M313-M341 HydrophobicContact SD-CB 4.11Å; L316-M341 HydrophobicContact CD1-SD 4.32Å; L337-M341 HydrophobicContact CD1-CG 4.05Å; L337-M341 HydrophobicContact CD1-SD 3.95Å; L337-M341 HydrophobicContact CG-SD 4.32Å; L337-M341 WeakPolarHBondContact O-CG 3.32Å; L337-M341 PolarHBondContact O-N 3.41Å; L338-M341 PolarHBondContact O-N 3.07Å; T339-M341 PolarHBondContact O-N 3.41Å; M341-Y344 PolarHBondContact O-N 3.15Å; M341-C345 PolarHBondContact O-N 3.39Å; M341-C345 PolarHBondContact O-SG 3.39Å
342L95Very high91.4Very high0 Ų039.2 Ų39.20%020%0.2CC..Hα-helixtrans-66.6-45.6175.4-71.7165.3000111.7M313 L338 T339 Y344 C345 Q346 L466 T469 S470 T473 L474M313-L342 HydrophobicContact CE-CD2 3.75Å; M313-L342 HydrophobicContact CE-CG 4.34Å; M313-L342 HydrophobicContact SD-CD2 3.93Å; M313-L342 HydrophobicContact SD-CG 3.85Å; L338-L342 WeakPolarHBondContact O-CG 3.15Å; L338-L342 PolarHBondContact O-N 2.92Å; T339-L342 PolarHBondContact O-N 3.03Å; L342-Y344 VanDerWaalsContact C-N 3.27Å; L342-Y344 PolarHBondContact O-N 2.97Å; L342-C345 WeakPolarHBondContact O-CB 3.27Å; L342-C345 PolarHBondContact O-N 2.68Å; L342-Q346 PolarHBondContact O-N 2.87Å; L342-L466 HydrophobicContact CD1-CD1 3.74Å; L342-T469 HydrophobicContact CB-CG2 3.66Å; L342-T469 HydrophobicContact CD1-CG2 4.5Å; L342-S470 WeakPolarHBondContact CD1-OG 3.47Å; L342-T473 HydrophobicContact CD2-CG2 4.07Å; L342-L474 HydrophobicContact CD2-CD1 4.17Å; L342-L474 HydrophobicContact CD2-CD2 4.09Å; L342-L474 HydrophobicContact CD2-CG 4.11Å
343C92.8Very high90.6Very high40 Ų4042.9 Ų42.927%0.2721%0.212SC..Hα-helixtrans-56.9-40.5174.2-76.50000111.9T339 Q340 Q346 K347T339-C343 WeakPolarHBondContact O-CB 3.34Å; T339-C343 PolarHBondContact O-N 3.39Å; T339-C343 PolarHBondContact O-SG 3.24Å; T339-C343 VanDerWaalsContact O-SG 3.33Å; Q340-C343 PolarHBondContact O-N 3.11Å; C343-Q346 PolarHBondContact O-N 2.89Å; C343-K347 WeakPolarHBondContact O-CG 3.48Å; C343-K347 PolarHBondContact O-N 3.39Å
344Y93.1Very high89.4Confident43 Ų4345.5 Ų45.517%0.16923%0.23CC..Hα-helixtrans-62.1-47.6172.7175.4-89.9000111.5C301 E302 L304 T309 Q340 M341 L342 Q346 K347 Y348C301-Y344 HydrophobicContact CB-CD1 3.76Å; C301-Y344 HydrophobicContact CB-CD2 3.69Å; C301-Y344 HydrophobicContact CB-CE1 4.03Å; C301-Y344 HydrophobicContact CB-CE2 3.95Å; C301-Y344 HydrophobicContact CB-CG 3.59Å; C301-Y344 WeakPolarHBondContact O-CE1 3.16Å; C301-Y344 PolarHBondContact O-OH 3.21Å; C301-Y344 VanDerWaalsContact O-OH 3.1Å; E302-Y344 HydrophobicContact CG-CE2 3.9Å; L304-Y344 PolarHBondContact O-OH 3.28Å; T309-Y344 HydrophobicContact CG2-CD1 4.09Å; Q340-Y344 PolarHBondContact O-N 3.27Å; M341-Y344 PolarHBondContact O-N 3.15Å; L342-Y344 VanDerWaalsContact C-N 3.27Å; L342-Y344 PolarHBondContact O-N 2.97Å; Y344-Q346 VanDerWaalsContact C-N 3.3Å; Y344-Q346 PolarHBondContact O-N 3.27Å; Y344-K347 PolarHBondContact O-N 3.02Å; Y344-Y348 HydrophobicContact CE1-CD2 4.25Å; Y344-Y348 WeakPolarHBondContact O-CB 3.44Å; Y344-Y348 PolarHBondContact O-N 2.92Å
345C91.8Very high88Confident0 Ų053.5 Ų53.50%027%0.273CS..Hα-helixtrans-58.7-41.8178.3-670000111.8M341 L342 Y348 V349 L363 T473M341-C345 PolarHBondContact O-N 3.39Å; M341-C345 PolarHBondContact O-SG 3.39Å; L342-C345 WeakPolarHBondContact O-CB 3.27Å; L342-C345 PolarHBondContact O-N 2.68Å; C345-Y348 PolarHBondContact O-N 2.95Å; C345-V349 VanDerWaalsContact O-CG2 3.3Å; C345-V349 WeakPolarHBondContact O-CG2 3.26Å; C345-V349 PolarHBondContact O-N 3.05Å; C345-L363 HydrophobicContact CB-CD2 4.38Å; C345-T473 HydrophobicContact CB-CG2 3.94Å
346Q90Very high86.5Confident84 Ų8460.1 Ų60.139%0.39331%0.308SS..Hα-helixtrans-62.9-45.5176.3-166.8-174.217.600112.1L342 C343 Y344 V349 S350 T473L342-Q346 PolarHBondContact O-N 2.87Å; C343-Q346 PolarHBondContact O-N 2.89Å; Y344-Q346 VanDerWaalsContact C-N 3.3Å; Y344-Q346 PolarHBondContact O-N 3.27Å; Q346-V349 PolarHBondContact O-N 3.08Å; Q346-S350 WeakPolarHBondContact O-CB 3.41Å; Q346-S350 PolarHBondContact O-N 3.27Å; Q346-S350 PolarHBondContact O-OG 2.9Å; Q346-T473 HydrophobicContact CB-CG2 4.35Å
347K89.6Confident85.5Confident134 Ų13460.3 Ų60.358%0.58331%0.307SS*.Hα-helixtrans-61.7-42.9174.6-73.7175.9-176.9176.50111.5C343 Y344 S350 Q351C343-K347 WeakPolarHBondContact O-CG 3.48Å; C343-K347 PolarHBondContact O-N 3.39Å; Y344-K347 PolarHBondContact O-N 3.02Å; K347-S350 WeakPolarHBondContact CA-OG 3.42Å; K347-S350 PolarHBondContact O-N 3.06Å; K347-S350 PolarHBondContact O-OG 2.89Å; K347-Q351 WeakPolarHBondContact O-CB 3.31Å; K347-Q351 VanDerWaalsContact O-CG 3.26Å; K347-Q351 WeakPolarHBondContact O-CG 3.47Å; K347-Q351 PolarHBondContact O-N 2.65Å
348Y87.9Confident84.6Confident17 Ų1764.6 Ų64.67%0.06733%0.326CS..Hα-helixtrans-60.6-48.1178-177.1-86000112Y344 C345 K352 F366Y344-Y348 HydrophobicContact CE1-CD2 4.25Å; Y344-Y348 WeakPolarHBondContact O-CB 3.44Å; Y344-Y348 PolarHBondContact O-N 2.92Å; C345-Y348 PolarHBondContact O-N 2.95Å; Y348-K352 HydrophobicContact CE1-CD 3.88Å; Y348-K352 HydrophobicContact CE2-CD 4.3Å; Y348-K352 PolarHBondContact O-N 3.1Å; Y348-K352 PolarHBondContact OH-NZ 3.33Å; Y348-F366 HydrophobicContact CD1-CE2 4.41Å; Y348-F366 HydrophobicContact CE1-CD2 4.18Å; Y348-F366 AromaticContact CE1-CE2 3.8Å; Y348-F366 HydrophobicContact CE1-CE2 3.8Å
349V84.9Confident83.6Confident24 Ų2470.5 Ų70.515%0.14535%0.349CS..Hα-helixtrans-64.5-43.4178.9169.60000111.2C345 Q346 K352 L363 F366C345-V349 VanDerWaalsContact O-CG2 3.3Å; C345-V349 WeakPolarHBondContact O-CG2 3.26Å; C345-V349 PolarHBondContact O-N 3.05Å; Q346-V349 PolarHBondContact O-N 3.08Å; V349-K352 PolarHBondContact O-N 3.4Å; V349-L363 HydrophobicContact CG2-CB 4.08Å; V349-L363 HydrophobicContact CG2-CD1 4.08Å; V349-L363 HydrophobicContact CG2-CD2 4.35Å; V349-L363 HydrophobicContact CG2-CG 4.4Å; V349-F366 HydrophobicContact CG1-CB 4.19Å; V349-F366 HydrophobicContact CG1-CD1 4.49Å; V349-F366 HydrophobicContact CG2-CD1 4.11Å; V349-F366 HydrophobicContact CG2-CE1 4.44Å; V349-F366 HydrophobicContact CG2-CG 4.32Å
350S84.7Confident82.8Confident64 Ų6470 Ų7045%0.44835%0.345SS..Hα-helixtrans-66.3-37.5-179.360.20000113.4Q346 K347 K352Q346-S350 WeakPolarHBondContact O-CB 3.41Å; Q346-S350 PolarHBondContact O-N 3.27Å; Q346-S350 PolarHBondContact O-OG 2.9Å; K347-S350 WeakPolarHBondContact CA-OG 3.42Å; K347-S350 PolarHBondContact O-N 3.06Å; K347-S350 PolarHBondContact O-OG 2.89Å; S350-K352 VanDerWaalsContact C-N 3.34Å
351Q85.6Confident82Confident157 Ų15770.1 Ų70.173%0.73435%0.349SS*.Hα-helixtrans-71.6-26.1177.7-72.2174.5-1.100113.4K347K347-Q351 WeakPolarHBondContact O-CB 3.31Å; K347-Q351 VanDerWaalsContact O-CG 3.26Å; K347-Q351 WeakPolarHBondContact O-CG 3.47Å; K347-Q351 PolarHBondContact O-N 2.65Å
352K81.2Confident81.4Confident76 Ų7670 Ų7033%0.3335%0.348SS..THydrogen-bonded Turntrans-100.430.3-178-67.3-163.3176.3-169.40113.8Y348 V349 S350 S354 S367Y348-K352 HydrophobicContact CE1-CD 3.88Å; Y348-K352 HydrophobicContact CE2-CD 4.3Å; Y348-K352 PolarHBondContact O-N 3.1Å; Y348-K352 PolarHBondContact OH-NZ 3.33Å; V349-K352 PolarHBondContact O-N 3.4Å; S350-K352 VanDerWaalsContact C-N 3.34Å; K352-S354 PolarHBondContact O-N 3.25Å; K352-S367 WeakPolarHBondContact O-CA 3.38Å; K352-S367 WeakPolarHBondContact O-CB 3.41Å; K352-S367 PolarHBondContact O-N 3.29Å
353K73.8Confident80.9Confident159 Ų15970.4 Ų70.469%0.69135%0.35SS*.  trans-73.6125.9170.7-69.9-177.6176.3-179.50110
354S68.1Low80.3Confident55 Ų5568.7 Ų68.739%0.38534%0.339SS..  trans-143.3164.5-178-178.10000110.6K352 L356 T357 S367K352-S354 PolarHBondContact O-N 3.25Å; S354-L356 PolarHBondContact O-N 2.93Å; S354-L356 PolarHBondContact OG-N 3Å; S354-T357 WeakPolarHBondContact O-CG2 3.31Å; S354-S367 VanDerWaalsContact CB-CB 3.5Å
355N64.8Low79.5Confident169 Ų16974.1 Ų74.190%0.90436%0.359SS*.SBendtrans-69.8-14.8171.2-64.6-17.5000112.7
356L63.9Low78.9Confident141 Ų14174.3 Ų74.374%0.73836%0.36SS*.SBendtrans-111.172.9174.6-64.6171.3000109.3S354S354-L356 PolarHBondContact O-N 2.93Å; S354-L356 PolarHBondContact OG-N 3Å
357T73.1Confident78.1Confident48 Ų4872.3 Ų72.329%0.29436%0.356SS..  trans-90.8148.4176.750.80000112S354 W365S354-T357 WeakPolarHBondContact O-CG2 3.31Å; T357-W365 HydrophobicContact CG2-CB 4.44Å
358H75.1Confident77.3Confident90 Ų9067.3 Ų67.342%0.41733%0.334SS..EExtended strand (participates in β ladder)trans-108.6146.1166.6-68.5-80.4000109.4W365 F366 Q368 V370H358-W365 WeakPolarHBondContact O-CA 3.49Å; H358-F366 PolarHBondContact N-O 3.38Å; H358-F366 PolarHBondContact O-N 3.13Å; H358-F366 VanDerWaalsContact O-N 3.09Å; H358-Q368 PolarHBondContact CD2-O 3.4Å; H358-V370 HydrophobicContact CB-CG2 4.41Å; H358-V370 VanDerWaalsContact CE1-CG2 3.47Å; H358-V370 WeakPolarHBondContact CE1-CG2 3.26Å; H358-V370 WeakPolarHBondContact ND1-CG2 3.49Å
359W75.3Confident76.2Confident124 Ų12471 Ų7147%0.4736%0.362SS..EExtended strand (participates in β ladder)trans-86.4127176.5-176.482.5000110.5P361 W365W359-P361 HydrophobicContact CE3-CG 4.4Å; W359-P361 VanDerWaalsContact CH2-CA 3.49Å; W359-P361 HydrophobicContact CH2-CB 3.97Å; W359-P361 HydrophobicContact CH2-CG 4.22Å; W359-P361 HydrophobicContact CZ3-CB 4.02Å; W359-P361 HydrophobicContact CZ3-CG 3.74Å; W359-W365 HydrophobicContact CB-CD2 3.87Å; W359-W365 HydrophobicContact CB-CE3 3.8Å; W359-W365 HydrophobicContact CB-CH2 3.72Å; W359-W365 HydrophobicContact CB-CZ2 3.78Å; W359-W365 HydrophobicContact CB-CZ3 3.74Å; W359-W365 AromaticContact CD1-CD1 3.91Å; W359-W365 AromaticContact CD1-CE2 3.57Å; W359-W365 AromaticContact CD1-CZ2 3.98Å; W359-W365 AromaticContact CD1-NE1 3.49Å; W359-W365 HydrophobicContact CG-CD2 4.38Å; W359-W365 HydrophobicContact CG-CZ2 4.15Å
360H79.9Confident75.3Confident10 Ų1072.3 Ų72.35%0.04637%0.37CS..EExtended strand (participates in β ladder)trans-107.4134172.7-172.5-95.4000110.5V362 L363 G364 F366H360-V362 PolarHBondContact ND1-N 3.31Å; H360-V362 PolarHBondContact O-N 3.43Å; H360-L363 HydrophobicContact CB-CB 4.19Å; H360-L363 PolarHBondContact ND1-N 3.27Å; H360-L363 VanDerWaalsContact ND1-N 3.19Å; H360-L363 PolarHBondContact O-N 3.35Å; H360-G364 WeakPolarHBondContact CB-O 3.49Å; H360-G364 PolarHBondContact N-O 3.01Å; H360-G364 WeakPolarHBondContact O-CA 3.49Å; H360-G364 PolarHBondContact O-N 2.89Å; H360-F366 HydrophobicContact CB-CE1 3.63Å; H360-F366 HydrophobicContact CB-CZ 4.37Å
361P76.8Confident74.7Confident36 Ų3672.5 Ų72.523%0.23437%0.367CS..THydrogen-bonded Turntrans-57.9-22.3-175.2-25.532.7000116.3W359 M378 Q476W359-P361 HydrophobicContact CE3-CG 4.4Å; W359-P361 VanDerWaalsContact CH2-CA 3.49Å; W359-P361 HydrophobicContact CH2-CB 3.97Å; W359-P361 HydrophobicContact CH2-CG 4.22Å; W359-P361 HydrophobicContact CZ3-CB 4.02Å; W359-P361 HydrophobicContact CZ3-CG 3.74Å; P361-M378 HydrophobicContact CG-CB 4.21Å; P361-M378 HydrophobicContact CG-CG 4.2Å; P361-Q476 WeakPolarHBondContact O-CB 3.32Å
362V83.3Confident73.9Confident0 Ų073.6 Ų73.60%037%0.365CS..THydrogen-bonded Turntrans-112.3-36.6-177.51760000112.6L310 H360 M378 L385 L474 I477L310-V362 HydrophobicContact CD1-CB 4.4Å; L310-V362 HydrophobicContact CD1-CG1 4.07Å; H360-V362 PolarHBondContact ND1-N 3.31Å; H360-V362 PolarHBondContact O-N 3.43Å; V362-M378 HydrophobicContact CB-CE 4.39Å; V362-M378 HydrophobicContact CG2-CE 3.58Å; V362-L385 HydrophobicContact CG1-CD1 3.94Å; V362-L385 HydrophobicContact CG2-CD1 4.32Å; V362-L474 HydrophobicContact CG1-CB 4.45Å; V362-L474 HydrophobicContact CG1-CD2 3.51Å; V362-L474 HydrophobicContact CG1-CG 4.48Å; V362-I477 HydrophobicContact CG1-CD1 4.07Å
363L83.6Confident73.3Confident8 Ų871 Ų714%0.04236%0.361CS..THydrogen-bonded Turntrans-103.4-8.2-170.1-68177.2000112.9L310 C345 V349 H360 F366 T473 L474L310-L363 HydrophobicContact CD1-CD1 3.56Å; L310-L363 HydrophobicContact CD1-CD2 3.87Å; L310-L363 HydrophobicContact CD1-CG 3.55Å; L310-L363 HydrophobicContact CG-CD1 4.34Å; C345-L363 HydrophobicContact CB-CD2 4.38Å; V349-L363 HydrophobicContact CG2-CB 4.08Å; V349-L363 HydrophobicContact CG2-CD1 4.08Å; V349-L363 HydrophobicContact CG2-CD2 4.35Å; V349-L363 HydrophobicContact CG2-CG 4.4Å; H360-L363 HydrophobicContact CB-CB 4.19Å; H360-L363 PolarHBondContact ND1-N 3.27Å; H360-L363 VanDerWaalsContact ND1-N 3.19Å; H360-L363 PolarHBondContact O-N 3.35Å; L363-F366 HydrophobicContact CB-CD1 4.34Å; L363-F366 HydrophobicContact CB-CE1 3.82Å; L363-F366 HydrophobicContact CD1-CE1 4.19Å; L363-F366 HydrophobicContact CD1-CZ 4.32Å; L363-T473 HydrophobicContact CD2-CG2 4.23Å; L363-L474 HydrophobicContact CD2-CD2 4.34Å
364G80.3Confident73.6Confident3 Ų363.8 Ų63.83%0.03133%0.329CS..EExtended strand (participates in β ladder)trans74-148.8-177.100000112.8H360H360-G364 WeakPolarHBondContact CB-O 3.49Å; H360-G364 PolarHBondContact N-O 3.01Å; H360-G364 WeakPolarHBondContact O-CA 3.49Å; H360-G364 PolarHBondContact O-N 2.89Å
365W76.5Confident74.2Confident157 Ų15764.4 Ų64.460%0.59533%0.328SS*.EExtended strand (participates in β ladder)trans-87122.2-170.3-65.898000113.2T357 H358 W359T357-W365 HydrophobicContact CG2-CB 4.44Å; H358-W365 WeakPolarHBondContact O-CA 3.49Å; W359-W365 HydrophobicContact CB-CD2 3.87Å; W359-W365 HydrophobicContact CB-CE3 3.8Å; W359-W365 HydrophobicContact CB-CH2 3.72Å; W359-W365 HydrophobicContact CB-CZ2 3.78Å; W359-W365 HydrophobicContact CB-CZ3 3.74Å; W359-W365 AromaticContact CD1-CD1 3.91Å; W359-W365 AromaticContact CD1-CE2 3.57Å; W359-W365 AromaticContact CD1-CZ2 3.98Å; W359-W365 AromaticContact CD1-NE1 3.49Å; W359-W365 HydrophobicContact CG-CD2 4.38Å; W359-W365 HydrophobicContact CG-CZ2 4.15Å
366F78.4Confident75.1Confident5 Ų561.6 Ų61.62%0.02231%0.31CS..EExtended strand (participates in β ladder)trans-158167.8169.865.1-79.4000112.5Y348 V349 H358 H360 L363 Q368Y348-F366 HydrophobicContact CD1-CE2 4.41Å; Y348-F366 HydrophobicContact CE1-CD2 4.18Å; Y348-F366 AromaticContact CE1-CE2 3.8Å; Y348-F366 HydrophobicContact CE1-CE2 3.8Å; V349-F366 HydrophobicContact CG1-CB 4.19Å; V349-F366 HydrophobicContact CG1-CD1 4.49Å; V349-F366 HydrophobicContact CG2-CD1 4.11Å; V349-F366 HydrophobicContact CG2-CE1 4.44Å; V349-F366 HydrophobicContact CG2-CG 4.32Å; H358-F366 PolarHBondContact N-O 3.38Å; H358-F366 PolarHBondContact O-N 3.13Å; H358-F366 VanDerWaalsContact O-N 3.09Å; H360-F366 HydrophobicContact CB-CE1 3.63Å; H360-F366 HydrophobicContact CB-CZ 4.37Å; L363-F366 HydrophobicContact CB-CD1 4.34Å; L363-F366 HydrophobicContact CB-CE1 3.82Å; L363-F366 HydrophobicContact CD1-CE1 4.19Å; L363-F366 HydrophobicContact CD1-CZ 4.32Å; F366-Q368 HydrophobicContact CD2-CB 4.07Å; F366-Q368 HydrophobicContact CE2-CB 3.63Å; F366-Q368 HydrophobicContact CE2-CG 4.39Å; F366-Q368 HydrophobicContact CZ-CB 4.49Å; F366-Q368 VanDerWaalsContact CZ-OE1 3.31Å; F366-Q368 PolarHBondContact O-N 3.04Å
367S72.9Confident76.2Confident42 Ų4254.9 Ų54.929%0.29427%0.274SS..  trans-85.294.8-173.8-171.20000112.1K352 S354K352-S367 WeakPolarHBondContact O-CA 3.38Å; K352-S367 WeakPolarHBondContact O-CB 3.41Å; K352-S367 PolarHBondContact O-N 3.29Å; S354-S367 VanDerWaalsContact CB-CB 3.5Å
368Q72.3Confident76.9Confident28 Ų2852.9 Ų52.913%0.13126%0.262CS..  trans-146.2146.8173.2-171.3-176.816.200111.1E305 C307 H358 F366 V370E305-Q368 PolarHBondContact OE2-NE2 3.24Å; C307-Q368 PolarHBondContact SG-OE1 3.15Å; H358-Q368 PolarHBondContact CD2-O 3.4Å; F366-Q368 HydrophobicContact CD2-CB 4.07Å; F366-Q368 HydrophobicContact CE2-CB 3.63Å; F366-Q368 HydrophobicContact CE2-CG 4.39Å; F366-Q368 HydrophobicContact CZ-CB 4.49Å; F366-Q368 VanDerWaalsContact CZ-OE1 3.31Å; F366-Q368 PolarHBondContact O-N 3.04Å; Q368-V370 PolarHBondContact O-N 3.11Å
369S66.3Low77.5Confident94 Ų9454.2 Ų54.266%0.65727%0.268SS*.  trans-61.2133.5171.549.80000111.1D371S369-D371 PolarHBondContact O-N 2.89Å
370V64.8Low78.3Confident52 Ų5249.3 Ų49.332%0.31525%0.251SS..  trans-64.3116179.4-177.50000110.6H358 Q368 Y372H358-V370 HydrophobicContact CB-CG2 4.41Å; H358-V370 VanDerWaalsContact CE1-CG2 3.47Å; H358-V370 WeakPolarHBondContact CE1-CG2 3.26Å; H358-V370 WeakPolarHBondContact ND1-CG2 3.49Å; Q368-V370 PolarHBondContact O-N 3.11Å; V370-Y372 HydrophobicContact CB-CE2 4.48Å; V370-Y372 HydrophobicContact CG1-CD1 4.1Å; V370-Y372 HydrophobicContact CG1-CD2 4.3Å; V370-Y372 HydrophobicContact CG1-CE1 4.01Å; V370-Y372 HydrophobicContact CG1-CE2 4.22Å; V370-Y372 HydrophobicContact CG1-CG 4.24Å
371D73.1Confident78.9Confident69 Ų6948.9 Ų48.937%0.36925%0.249SC..  trans-91.3101.5163.7-172-25.2000109S369 G373 L374 N375S369-D371 PolarHBondContact O-N 2.89Å; D371-G373 VanDerWaalsContact C-N 3.3Å; D371-G373 PolarHBondContact O-N 3.18Å; D371-G373 PolarHBondContact OD1-N 2.84Å; D371-L374 HydrophobicContact CB-CB 3.85Å; D371-L374 PolarHBondContact O-N 2.89Å; D371-L374 PolarHBondContact OD1-N 3.04Å; D371-L374 VanDerWaalsContact OD1-N 3.16Å; D371-N375 PolarHBondContact O-N 3.07Å; D371-N375 VanDerWaalsContact O-N 3.14Å
372Y67.8Low79.6Confident179 Ų17948 Ų4870%0.70224%0.243SC*.Hα-helixtrans-61.7-36.1-178.4-69-82000112.7V370 N375 E376V370-Y372 HydrophobicContact CB-CE2 4.48Å; V370-Y372 HydrophobicContact CG1-CD1 4.1Å; V370-Y372 HydrophobicContact CG1-CD2 4.3Å; V370-Y372 HydrophobicContact CG1-CE1 4.01Å; V370-Y372 HydrophobicContact CG1-CE2 4.22Å; V370-Y372 HydrophobicContact CG1-CG 4.24Å; Y372-N375 PolarHBondContact O-N 2.91Å; Y372-E376 PolarHBondContact O-N 3.27Å
373G70.4Confident80Confident23 Ų2353.1 Ų53.124%0.23727%0.266CS..Hα-helixtrans-69.9-39.4179.500000111.7A218 D371 N375 E376 S377A218-G373 CarbonylContact C-O 3.54Å; D371-G373 VanDerWaalsContact C-N 3.3Å; D371-G373 PolarHBondContact O-N 3.18Å; D371-G373 PolarHBondContact OD1-N 2.84Å; G373-N375 PolarHBondContact O-N 3.37Å; G373-E376 PolarHBondContact O-N 3.45Å; G373-S377 PolarHBondContact O-N 3.13Å
374L79Confident80.5Confident7 Ų752.8 Ų52.84%0.03726%0.264CS..Hα-helixtrans-62.2-45.1175.6-173.559000111.7P261 C307 D371 E376 S377 M378P261-L374 HydrophobicContact CB-CD1 4.07Å; P261-L374 HydrophobicContact CG-CD1 3.51Å; C307-L374 HydrophobicContact CB-CD2 3.35Å; D371-L374 HydrophobicContact CB-CB 3.85Å; D371-L374 PolarHBondContact O-N 2.89Å; D371-L374 PolarHBondContact OD1-N 3.04Å; D371-L374 VanDerWaalsContact OD1-N 3.16Å; L374-E376 VanDerWaalsContact C-N 3.31Å; L374-E376 PolarHBondContact O-N 3.18Å; L374-S377 PolarHBondContact O-N 3.35Å; L374-S377 PolarHBondContact O-OG 3.48Å; L374-M378 HydrophobicContact CG-SD 4.43Å; L374-M378 WeakPolarHBondContact O-CG 3.32Å; L374-M378 PolarHBondContact O-N 2.96Å
375N81.1Confident81.2Confident67 Ų6752.7 Ų52.736%0.35826%0.262SS..Hα-helixtrans-57-41.1177.4-82.7-23.1000112.9D371 Y372 G373 S377 M378D371-N375 PolarHBondContact O-N 3.07Å; D371-N375 VanDerWaalsContact O-N 3.14Å; Y372-N375 PolarHBondContact O-N 2.91Å; G373-N375 PolarHBondContact O-N 3.37Å; N375-S377 VanDerWaalsContact C-N 3.28Å; N375-S377 PolarHBondContact O-N 3.4Å; N375-M378 WeakPolarHBondContact O-CB 3.44Å; N375-M378 PolarHBondContact O-N 2.93Å
376E82.6Confident82Confident110 Ų11048.7 Ų48.751%0.51425%0.25SS..Hα-helixtrans-63.8-32.7176.3-73-175.6-167.300112.9Y372 G373 L374 M378Y372-E376 PolarHBondContact O-N 3.27Å; G373-E376 PolarHBondContact O-N 3.45Å; L374-E376 VanDerWaalsContact C-N 3.31Å; L374-E376 PolarHBondContact O-N 3.18Å; E376-M378 VanDerWaalsContact C-N 3.35Å
377S87.6Confident82.7Confident0 Ų051.6 Ų51.60%026%0.263CS..Hα-helixtrans-82.6-8.7178.370.80000114.3P261 G373 L374 N375 H379 L380 I381P261-S377 WeakPolarHBondContact CB-OG 3.4Å; G373-S377 PolarHBondContact O-N 3.13Å; L374-S377 PolarHBondContact O-N 3.35Å; L374-S377 PolarHBondContact O-OG 3.48Å; N375-S377 VanDerWaalsContact C-N 3.28Å; N375-S377 PolarHBondContact O-N 3.4Å; S377-H379 VanDerWaalsContact C-N 3.28Å; S377-H379 PolarHBondContact O-N 2.85Å; S377-L380 WeakPolarHBondContact O-CB 3.47Å; S377-L380 PolarHBondContact O-N 3.05Å; S377-I381 PolarHBondContact O-N 3.19Å
378M87.4Confident83.8Confident7 Ų749.7 Ų49.73%0.03425%0.249CC..Hα-helixtrans-60.8-33.1-170.2-79.6-51.2-44.100114.2P361 V362 L374 N375 E376 L380 I381 T382P361-M378 HydrophobicContact CG-CB 4.21Å; P361-M378 HydrophobicContact CG-CG 4.2Å; V362-M378 HydrophobicContact CB-CE 4.39Å; V362-M378 HydrophobicContact CG2-CE 3.58Å; L374-M378 HydrophobicContact CG-SD 4.43Å; L374-M378 WeakPolarHBondContact O-CG 3.32Å; L374-M378 PolarHBondContact O-N 2.96Å; N375-M378 WeakPolarHBondContact O-CB 3.44Å; N375-M378 PolarHBondContact O-N 2.93Å; E376-M378 VanDerWaalsContact C-N 3.35Å; M378-L380 VanDerWaalsContact C-N 3.27Å; M378-L380 PolarHBondContact O-N 3.16Å; M378-I381 HydrophobicContact CE-CB 3.82Å; M378-I381 HydrophobicContact CE-CG1 4.47Å; M378-I381 HydrophobicContact CE-CG2 3.79Å; M378-I381 PolarHBondContact O-N 3.49Å; M378-I381 HydrophobicContact SD-CB 4.34Å; M378-I381 HydrophobicContact SD-CG1 4.35Å; M378-T382 PolarHBondContact O-N 3.49Å; M378-T382 PolarHBondContact O-OG1 3.19Å; M378-T382 VanDerWaalsContact O-OG1 3.12Å
379H88Confident84.8Confident118 Ų11849.1 Ų49.155%0.54625%0.246SC..Hα-helixtrans-58-39.9173.9176.557.7000112.6S377 T382 K383S377-H379 VanDerWaalsContact C-N 3.28Å; S377-H379 PolarHBondContact O-N 2.85Å; H379-T382 PolarHBondContact O-N 3.36Å; H379-K383 VanDerWaalsContact CE1-CE 3.48Å; H379-K383 WeakPolarHBondContact CE1-CE 3.41Å; H379-K383 WeakPolarHBondContact NE2-CE 3.46Å; H379-K383 WeakPolarHBondContact O-CG 3.37Å; H379-K383 PolarHBondContact O-N 3.49Å
380L91.9Very high86Confident21 Ų2145.5 Ų45.511%0.1122%0.224CC..Hα-helixtrans-70.5-39.4177.7-61.4178.9000111.3A262 T265 S377 M378 K383 Q384A262-L380 HydrophobicContact CB-CB 3.66Å; A262-L380 HydrophobicContact CB-CD1 3.89Å; A262-L380 HydrophobicContact CB-CG 4.45Å; T265-L380 HydrophobicContact CG2-CD2 4.49Å; S377-L380 WeakPolarHBondContact O-CB 3.47Å; S377-L380 PolarHBondContact O-N 3.05Å; M378-L380 VanDerWaalsContact C-N 3.27Å; M378-L380 PolarHBondContact O-N 3.16Å; L380-K383 WeakPolarHBondContact O-CB 3.37Å; L380-K383 PolarHBondContact O-N 3.4Å; L380-Q384 WeakPolarHBondContact O-CG 3.39Å; L380-Q384 PolarHBondContact O-N 2.65Å
381I92.7Very high87.2Confident0 Ų045.2 Ų45.20%022%0.222CC..Hα-helixtrans-61.4-46.6174.1-60.2-55.7000110.4P261 A262 C311 S314 S377 M378 K383 Q384 L385P261-I381 HydrophobicContact CB-CD1 4.27Å; A262-I381 HydrophobicContact CB-CD1 4.2Å; A262-I381 VanDerWaalsContact N-CD1 3.28Å; C311-I381 HydrophobicContact CB-CD1 4.42Å; S314-I381 WeakPolarHBondContact OG-CG2 3.31Å; S377-I381 PolarHBondContact O-N 3.19Å; M378-I381 HydrophobicContact CE-CB 3.82Å; M378-I381 HydrophobicContact CE-CG1 4.47Å; M378-I381 HydrophobicContact CE-CG2 3.79Å; M378-I381 PolarHBondContact O-N 3.49Å; M378-I381 HydrophobicContact SD-CB 4.34Å; M378-I381 HydrophobicContact SD-CG1 4.35Å; I381-K383 VanDerWaalsContact C-N 3.32Å; I381-K383 PolarHBondContact O-N 2.97Å; I381-Q384 WeakPolarHBondContact O-CB 3.49Å; I381-Q384 PolarHBondContact O-N 2.92Å; I381-L385 HydrophobicContact CG2-CD1 4.33Å; I381-L385 WeakPolarHBondContact O-CG 3.22Å; I381-L385 PolarHBondContact O-N 2.63Å
382T91.1Very high88Confident19 Ų1946 Ų4612%0.11723%0.231CC..Hα-helixtrans-61-40.3176.7-600000111.7M378 H379 Q384 L385 Q386 I477M378-T382 PolarHBondContact O-N 3.49Å; M378-T382 PolarHBondContact O-OG1 3.19Å; M378-T382 VanDerWaalsContact O-OG1 3.12Å; H379-T382 PolarHBondContact O-N 3.36Å; T382-Q384 VanDerWaalsContact C-N 3.32Å; T382-Q384 PolarHBondContact O-N 3.42Å; T382-L385 PolarHBondContact O-N 3.42Å; T382-Q386 WeakPolarHBondContact O-CG 3.27Å; T382-Q386 PolarHBondContact O-N 2.85Å; T382-I477 HydrophobicContact CG2-CG2 4.33Å
383K91.4Very high89.1Confident107 Ų10737.6 Ų37.647%0.46520%0.198SC..Hα-helixtrans-61.6-37.3172.3-78.4-175.7170.8-1740113.2H379 L380 I381 Q386H379-K383 VanDerWaalsContact CE1-CE 3.48Å; H379-K383 WeakPolarHBondContact CE1-CE 3.41Å; H379-K383 WeakPolarHBondContact NE2-CE 3.46Å; H379-K383 WeakPolarHBondContact O-CG 3.37Å; H379-K383 PolarHBondContact O-N 3.49Å; L380-K383 WeakPolarHBondContact O-CB 3.37Å; L380-K383 PolarHBondContact O-N 3.4Å; I381-K383 VanDerWaalsContact C-N 3.32Å; I381-K383 PolarHBondContact O-N 2.97Å; K383-Q386 WeakPolarHBondContact O-CB 3.37Å; K383-Q386 PolarHBondContact O-N 3.43Å
384Q94.8Very high90.1Very high1 Ų136.5 Ų36.51%0.00519%0.187CC..Hα-helixtrans-70.8-38.5175.2-73.9179-71.200112.1T265 S314 N315 H318 L380 I381 T382 Q386 F387T265-Q384 VanDerWaalsContact OG1-CG 3.27Å; T265-Q384 WeakPolarHBondContact OG1-CG 3.31Å; T265-Q384 PolarHBondContact OG1-NE2 2.85Å; S314-Q384 PolarHBondContact O-NE2 3.45Å; N315-Q384 PolarHBondContact OD1-NE2 2.8Å; H318-Q384 HydrophobicContact CB-CG 4.08Å; H318-Q384 PolarHBondContact ND1-NE2 3.15Å; L380-Q384 WeakPolarHBondContact O-CG 3.39Å; L380-Q384 PolarHBondContact O-N 2.65Å; I381-Q384 WeakPolarHBondContact O-CB 3.49Å; I381-Q384 PolarHBondContact O-N 2.92Å; T382-Q384 VanDerWaalsContact C-N 3.32Å; T382-Q384 PolarHBondContact O-N 3.42Å; Q384-Q386 PolarHBondContact O-N 2.99Å; Q384-F387 WeakPolarHBondContact O-CB 3.41Å; Q384-F387 VanDerWaalsContact O-CD2 3.27Å; Q384-F387 WeakPolarHBondContact O-CD2 3.44Å; Q384-F387 PolarHBondContact O-N 3.19Å
385L94.8Very high90.7Very high0 Ų042.8 Ų42.80%021%0.21CC..Hα-helixtrans-61.2-35.5173.5-68.8174.5000111.4M313 S314 L317 V362 I381 T382 F387 L388 W389 I477M313-L385 HydrophobicContact CE-CD2 3.36Å; S314-L385 VanDerWaalsContact OG-CD2 3.23Å; S314-L385 WeakPolarHBondContact OG-CD2 3.22Å; S314-L385 WeakPolarHBondContact OG-CG 3.2Å; L317-L385 HydrophobicContact CD1-CD2 4.03Å; V362-L385 HydrophobicContact CG1-CD1 3.94Å; V362-L385 HydrophobicContact CG2-CD1 4.32Å; I381-L385 HydrophobicContact CG2-CD1 4.33Å; I381-L385 WeakPolarHBondContact O-CG 3.22Å; I381-L385 PolarHBondContact O-N 2.63Å; T382-L385 PolarHBondContact O-N 3.42Å; L385-F387 PolarHBondContact O-N 3.3Å; L385-F387 VanDerWaalsContact O-N 3.08Å; L385-L388 WeakPolarHBondContact O-CB 3.38Å; L385-L388 PolarHBondContact O-N 3.04Å; L385-W389 HydrophobicContact CB-CH2 3.84Å; L385-W389 HydrophobicContact CB-CZ3 4.11Å; L385-W389 WeakPolarHBondContact O-CZ3 3.44Å; L385-I477 HydrophobicContact CD1-CD1 4.32Å
386Q93.1Very high91.2Very high74 Ų7440.5 Ų40.535%0.34620%0.198SC..G310 helixtrans-57.1-23.1176.7-74.9169.6-3.500114.1T382 K383 Q384 L388 W389 G390T382-Q386 WeakPolarHBondContact O-CG 3.27Å; T382-Q386 PolarHBondContact O-N 2.85Å; K383-Q386 WeakPolarHBondContact O-CB 3.37Å; K383-Q386 PolarHBondContact O-N 3.43Å; Q384-Q386 PolarHBondContact O-N 2.99Å; Q386-L388 PolarHBondContact O-N 3Å; Q386-W389 VanDerWaalsContact CA-CZ2 3.49Å; Q386-W389 HydrophobicContact CB-CZ2 3.99Å; Q386-W389 HydrophobicContact CG-CH2 4.24Å; Q386-W389 HydrophobicContact CG-CZ2 3.38Å; Q386-W389 CarbonylContact O-C 3.42Å; Q386-W389 PolarHBondContact O-N 3.44Å; Q386-G390 PolarHBondContact O-N 2.78Å
387F94.5Very high91.7Very high66 Ų6635.2 Ų35.229%0.28917%0.173SC..G310 helixtrans-59.5-31.3171.8-70.8-61.2000112.3H318 Q384 L385 W389 G390 L393H318-F387 HydrophobicContact CB-CD2 4.14Å; H318-F387 HydrophobicContact CB-CE2 4.07Å; H318-F387 AromaticContact CD2-CE2 3.51Å; H318-F387 AromaticContact CD2-CZ 3.9Å; H318-F387 AromaticContact CG-CE2 3.67Å; H318-F387 AromaticContact NE2-CE2 3.93Å; Q384-F387 WeakPolarHBondContact O-CB 3.41Å; Q384-F387 VanDerWaalsContact O-CD2 3.27Å; Q384-F387 WeakPolarHBondContact O-CD2 3.44Å; Q384-F387 PolarHBondContact O-N 3.19Å; L385-F387 PolarHBondContact O-N 3.3Å; L385-F387 VanDerWaalsContact O-N 3.08Å; F387-W389 VanDerWaalsContact C-N 3.31Å; F387-W389 PolarHBondContact O-N 3.09Å; F387-G390 PolarHBondContact O-N 2.87Å; F387-L393 HydrophobicContact CB-CD1 4.24Å; F387-L393 WeakPolarHBondContact O-CB 3.48Å; F387-L393 WeakPolarHBondContact O-CD1 3.47Å
388L95.2Very high91.9Very high1 Ų135.3 Ų35.31%0.00517%0.174CC..G310 helixtrans-57.7-42.5179.1176.758.2000112.3L317 L338 L385 Q386 F397 L466 Y467L317-L388 HydrophobicContact CD1-CB 4.03Å; L317-L388 HydrophobicContact CD2-CB 3.95Å; L317-L388 HydrophobicContact CD2-CD1 4.11Å; L338-L388 HydrophobicContact CD1-CD1 4.06Å; L385-L388 WeakPolarHBondContact O-CB 3.38Å; L385-L388 PolarHBondContact O-N 3.04Å; Q386-L388 PolarHBondContact O-N 3Å; L388-F397 HydrophobicContact CD1-CE2 3.93Å; L388-L466 HydrophobicContact CD1-CD2 4Å; L388-L466 HydrophobicContact CD1-CG 4.48Å; L388-Y467 HydrophobicContact CD1-CE1 4.27Å; L388-Y467 HydrophobicContact CG-CE1 4.11Å; L388-Y467 PolarHBondContact O-OH 3.17Å
389W93.8Very high92Very high16 Ų1638 Ų386%0.06119%0.192CC..G310 helixtrans-105.623.1175.458.386.7000112.3L385 Q386 F387 I394 Y467 I477 Q480 I481L385-W389 HydrophobicContact CB-CH2 3.84Å; L385-W389 HydrophobicContact CB-CZ3 4.11Å; L385-W389 WeakPolarHBondContact O-CZ3 3.44Å; Q386-W389 VanDerWaalsContact CA-CZ2 3.49Å; Q386-W389 HydrophobicContact CB-CZ2 3.99Å; Q386-W389 HydrophobicContact CG-CH2 4.24Å; Q386-W389 HydrophobicContact CG-CZ2 3.38Å; Q386-W389 CarbonylContact O-C 3.42Å; Q386-W389 PolarHBondContact O-N 3.44Å; F387-W389 VanDerWaalsContact C-N 3.31Å; F387-W389 PolarHBondContact O-N 3.09Å; W389-I394 VanDerWaalsContact O-CD1 3.26Å; W389-I394 WeakPolarHBondContact O-CD1 3.49Å; W389-Y467 HydrophobicContact CB-CE1 4.46Å; W389-I477 HydrophobicContact CH2-CD1 3.71Å; W389-I477 HydrophobicContact CZ2-CD1 4.4Å; W389-Q480 HydrophobicContact CZ2-CB 4.22Å; W389-Q480 PolarHBondContact NE1-O 3.34Å; W389-I481 HydrophobicContact CB-CG2 4.5Å; W389-I481 HydrophobicContact CD2-CB 4.32Å; W389-I481 HydrophobicContact CD2-CG1 3.89Å; W389-I481 HydrophobicContact CE3-CB 4.38Å; W389-I481 HydrophobicContact CE3-CD1 4.47Å; W389-I481 HydrophobicContact CE3-CG1 3.64Å; W389-I481 HydrophobicContact CE3-CG2 4.43Å; W389-I481 HydrophobicContact CH2-CG1 4.01Å; W389-I481 HydrophobicContact CZ2-CG1 4.2Å; W389-I481 HydrophobicContact CZ3-CD1 4.26Å; W389-I481 HydrophobicContact CZ3-CG1 3.72Å
390G90.6Very high91.8Very high19 Ų1934.8 Ų34.820%0.19618%0.179CC..SBendtrans-79.5145.9172.400000110.8Q386 F387 P392 L393 I394Q386-G390 PolarHBondContact O-N 2.78Å; F387-G390 PolarHBondContact O-N 2.87Å; G390-P392 VanDerWaalsContact C-N 3.29Å; G390-P392 VanDerWaalsContact O-N 3.14Å; G390-L393 PolarHBondContact O-N 3.33Å; G390-L393 VanDerWaalsContact O-N 3.13Å; G390-I394 WeakPolarHBondContact O-CG1 3.47Å; G390-I394 PolarHBondContact O-N 3.23Å
391V89.6Confident91.4Very high46 Ų4633.8 Ų33.828%0.27917%0.174SC..Hα-helixtrans-46.4-44.2179.3172.30000113.8R395 Y487 L488V391-R395 HydrophobicContact CG1-CG 4.41Å; V391-R395 WeakPolarHBondContact O-CB 3.47Å; V391-R395 VanDerWaalsContact O-CG 3.32Å; V391-R395 WeakPolarHBondContact O-CG 3.44Å; V391-R395 PolarHBondContact O-N 3.05Å; V391-Y487 HydrophobicContact CG2-CD1 3.57Å; V391-Y487 HydrophobicContact CG2-CE1 4.02Å; V391-L488 HydrophobicContact CG1-CD1 4.27Å; V391-L488 HydrophobicContact CG1-CD2 3.94Å; V391-L488 HydrophobicContact CG1-CG 4.35Å; V391-L488 HydrophobicContact CG2-CD2 4.48Å; V391-L488 HydrophobicContact CG2-CG 4.25Å
392P90.2Very high90.9Very high86 Ų8634.9 Ų34.956%0.55818%0.18SC*.Hα-helixtrans-61.6-46.7-179.8-23.935.3000113.7G390 R395 I396G390-P392 VanDerWaalsContact C-N 3.29Å; G390-P392 VanDerWaalsContact O-N 3.14Å; P392-R395 PolarHBondContact O-N 2.87Å; P392-I396 WeakPolarHBondContact O-CG1 3.44Å; P392-I396 PolarHBondContact O-N 3.13Å
393L91.5Very high90.2Very high1 Ų138 Ų381%0.00520%0.202CC..Hα-helixtrans-72.1-38.2-179.4-86.284.4000111.8L317 L327 F334 F387 G390 R395 I396 F397L317-L393 HydrophobicContact CD2-CD2 4.03Å; L327-L393 HydrophobicContact CD1-CD2 4.39Å; L327-L393 HydrophobicContact CD1-CG 4.33Å; F334-L393 HydrophobicContact CE1-CD2 4.42Å; F387-L393 HydrophobicContact CB-CD1 4.24Å; F387-L393 WeakPolarHBondContact O-CB 3.48Å; F387-L393 WeakPolarHBondContact O-CD1 3.47Å; G390-L393 PolarHBondContact O-N 3.33Å; G390-L393 VanDerWaalsContact O-N 3.13Å; L393-R395 VanDerWaalsContact C-N 3.26Å; L393-R395 PolarHBondContact O-N 2.88Å; L393-I396 PolarHBondContact O-N 3.21Å; L393-I396 VanDerWaalsContact O-N 3.16Å; L393-F397 HydrophobicContact CD2-CE2 4.42Å; L393-F397 HydrophobicContact CD2-CZ 4.03Å; L393-F397 WeakPolarHBondContact O-CB 3.44Å; L393-F397 WeakPolarHBondContact O-CG 3.24Å; L393-F397 PolarHBondContact O-N 3.08Å
394I92.2Very high89Confident0 Ų036.1 Ų36.10%019%0.194CC..Hα-helixtrans-58.6-42.4175.1-64.2168.4000110.2W389 G390 I396 F397 F398 G484 L485 L488 L491W389-I394 VanDerWaalsContact O-CD1 3.26Å; W389-I394 WeakPolarHBondContact O-CD1 3.49Å; G390-I394 WeakPolarHBondContact O-CG1 3.47Å; G390-I394 PolarHBondContact O-N 3.23Å; I394-I396 PolarHBondContact O-N 3.42Å; I394-F397 PolarHBondContact O-N 3.28Å; I394-F398 HydrophobicContact CG2-CD2 3.92Å; I394-F398 WeakPolarHBondContact O-CB 3.45Å; I394-F398 PolarHBondContact O-N 3.32Å; I394-G484 WeakPolarHBondContact CD1-O 3.33Å; I394-L485 HydrophobicContact CD1-CD2 3.98Å; I394-L485 HydrophobicContact CG1-CD2 4.18Å; I394-L488 HydrophobicContact CB-CD1 3.79Å; I394-L488 HydrophobicContact CD1-CD1 4.4Å; I394-L488 HydrophobicContact CG2-CD1 3.46Å; I394-L488 VanDerWaalsContact CG2-CD1 3.46Å; I394-L491 HydrophobicContact CG2-CD2 3.81Å
395R91.4Very high87.1Confident139 Ų13945.6 Ų45.653%0.52524%0.235SC..Hα-helixtrans-63.1-39176.9-75.2-178.9-178.1-78.20.1113V391 P392 L393 C399 L402 L488V391-R395 HydrophobicContact CG1-CG 4.41Å; V391-R395 WeakPolarHBondContact O-CB 3.47Å; V391-R395 VanDerWaalsContact O-CG 3.32Å; V391-R395 WeakPolarHBondContact O-CG 3.44Å; V391-R395 PolarHBondContact O-N 3.05Å; P392-R395 PolarHBondContact O-N 2.87Å; L393-R395 VanDerWaalsContact C-N 3.26Å; L393-R395 PolarHBondContact O-N 2.88Å; R395-C399 WeakPolarHBondContact O-CA 3.32Å; R395-C399 WeakPolarHBondContact O-CB 3.32Å; R395-C399 PolarHBondContact O-N 3.33Å; R395-C399 VanDerWaalsContact O-N 3.15Å; R395-L402 HydrophobicContact CB-CD1 4.49Å; R395-L402 HydrophobicContact CG-CD1 4.19Å; R395-L488 HydrophobicContact CG-CD1 4.25Å; R395-L488 VanDerWaalsContact NH2-CD2 3.32Å
396I91.4Very high85.1Confident19 Ų1949.6 Ų49.610%0.09726%0.256CS..Hα-helixtrans-68.2-50.8176.6-67.1168.3000110.3P324 L327 E328 P392 L393 I394 C399P324-I396 HydrophobicContact CB-CD1 3.92Å; L327-I396 HydrophobicContact CB-CD1 4.45Å; L327-I396 HydrophobicContact CB-CG2 4.26Å; E328-I396 HydrophobicContact CG-CG1 4.23Å; E328-I396 HydrophobicContact CG-CG2 4Å; P392-I396 WeakPolarHBondContact O-CG1 3.44Å; P392-I396 PolarHBondContact O-N 3.13Å; L393-I396 PolarHBondContact O-N 3.21Å; L393-I396 VanDerWaalsContact O-N 3.16Å; I394-I396 PolarHBondContact O-N 3.42Å; I396-C399 WeakPolarHBondContact O-CB 3.49Å; I396-C399 PolarHBondContact O-N 3.4Å
397F93.4Very high82.6Confident0 Ų053.4 Ų53.40%028%0.278CS..Hα-helixtrans-62.7-49.8-177.6-67.8-9.7000111.4T331 F334 V335 L338 L388 L393 I394 C399 I463 L466 Y467T331-F397 HydrophobicContact CG2-CD1 3.92Å; T331-F397 HydrophobicContact CG2-CE1 4.49Å; F334-F397 HydrophobicContact CD1-CE1 4.01Å; F334-F397 AromaticContact CD1-CZ 3.83Å; F334-F397 HydrophobicContact CD1-CZ 3.83Å; F334-F397 HydrophobicContact CE1-CZ 4.12Å; V335-F397 HydrophobicContact CG2-CD1 4.22Å; V335-F397 HydrophobicContact CG2-CE1 4.14Å; V335-F397 HydrophobicContact CG2-CE2 4.49Å; V335-F397 HydrophobicContact CG2-CG 4.44Å; V335-F397 HydrophobicContact CG2-CZ 4.28Å; L338-F397 HydrophobicContact CD1-CZ 4.48Å; L388-F397 HydrophobicContact CD1-CE2 3.93Å; L393-F397 HydrophobicContact CD2-CE2 4.42Å; L393-F397 HydrophobicContact CD2-CZ 4.03Å; L393-F397 WeakPolarHBondContact O-CB 3.44Å; L393-F397 WeakPolarHBondContact O-CG 3.24Å; L393-F397 PolarHBondContact O-N 3.08Å; I394-F397 PolarHBondContact O-N 3.28Å; F397-C399 VanDerWaalsContact C-N 3.3Å; F397-C399 PolarHBondContact O-N 3.4Å; F397-I463 HydrophobicContact CB-CD1 4.05Å; F397-I463 HydrophobicContact CB-CG1 4.22Å; F397-I463 HydrophobicContact CB-CG2 3.97Å; F397-I463 HydrophobicContact CD2-CG2 4.5Å; F397-I463 WeakPolarHBondContact O-CD1 3.46Å; F397-L466 HydrophobicContact CE2-CD2 3.97Å; F397-Y467 HydrophobicContact CD2-CE2 4.26Å
398F91.6Very high79.8Confident2 Ų259 Ų591%0.00931%0.305CS..THydrogen-bonded Turntrans-91.223.9-179.3-69.8-75.5000113.9I394 D400 I401 L402 I463 Y467 L491I394-F398 HydrophobicContact CG2-CD2 3.92Å; I394-F398 WeakPolarHBondContact O-CB 3.45Å; I394-F398 PolarHBondContact O-N 3.32Å; F398-D400 PolarHBondContact O-N 3.34Å; F398-I401 HydrophobicContact CD1-CD1 3.61Å; F398-I401 HydrophobicContact CD1-CG1 4.36Å; F398-I401 HydrophobicContact CE1-CD1 4.1Å; F398-I401 PolarHBondContact O-N 3.06Å; F398-L402 HydrophobicContact CB-CD1 4.01Å; F398-L402 HydrophobicContact CB-CG 4.14Å; F398-L402 WeakPolarHBondContact O-CB 3.35Å; F398-L402 WeakPolarHBondContact O-CG 3.34Å; F398-L402 PolarHBondContact O-N 3.23Å; F398-I463 HydrophobicContact CD1-CG2 4.37Å; F398-I463 HydrophobicContact CD2-CG2 4.15Å; F398-I463 HydrophobicContact CE1-CB 4.44Å; F398-I463 HydrophobicContact CE1-CG2 3.83Å; F398-I463 HydrophobicContact CE2-CG2 3.6Å; F398-I463 HydrophobicContact CZ-CB 4.41Å; F398-I463 HydrophobicContact CZ-CG2 3.42Å; F398-I463 VanDerWaalsContact CZ-CG2 3.42Å; F398-Y467 HydrophobicContact CE2-CD2 4.08Å; F398-Y467 AromaticContact CE2-CE2 3.61Å; F398-Y467 HydrophobicContact CE2-CE2 3.61Å; F398-Y467 HydrophobicContact CZ-CD2 4.29Å; F398-Y467 HydrophobicContact CZ-CE2 4.24Å; F398-L491 HydrophobicContact CB-CD1 3.81Å; F398-L491 HydrophobicContact CD1-CD1 4.17Å; F398-L491 HydrophobicContact CD2-CD1 3.8Å; F398-L491 HydrophobicContact CD2-CD2 4.35Å; F398-L491 HydrophobicContact CE2-CD1 4.32Å; F398-L491 HydrophobicContact CE2-CD2 4.35Å; F398-L491 HydrophobicContact CG-CD1 3.68Å
399C89Confident76.9Confident63 Ų6363.4 Ų63.443%0.42634%0.336SS..Hα-helixtrans-54.1-41.5-178-173.30000112.5R395 I396 F397 I401 L402 S403R395-C399 WeakPolarHBondContact O-CA 3.32Å; R395-C399 WeakPolarHBondContact O-CB 3.32Å; R395-C399 PolarHBondContact O-N 3.33Å; R395-C399 VanDerWaalsContact O-N 3.15Å; I396-C399 WeakPolarHBondContact O-CB 3.49Å; I396-C399 PolarHBondContact O-N 3.4Å; F397-C399 VanDerWaalsContact C-N 3.3Å; F397-C399 PolarHBondContact O-N 3.4Å; C399-I401 VanDerWaalsContact C-N 3.26Å; C399-I401 PolarHBondContact O-N 3.35Å; C399-L402 PolarHBondContact O-N 3.41Å; C399-S403 WeakPolarHBondContact O-CB 3.5Å; C399-S403 PolarHBondContact O-N 2.87Å; C399-S403 PolarHBondContact O-OG 2.85Å
400D82.7Confident73.8Confident50 Ų5071.7 Ų71.727%0.26738%0.376SS..Hα-helixtrans-63.9-29.6180-58-45.1000113F398 E456 K459F398-D400 PolarHBondContact O-N 3.34Å; D400-E456 HydrophobicContact CB-CG 3.98Å; D400-K459 IonicContact OD1-NZ 3.06Å; D400-K459 VanDerWaalsContact OD2-CD 3.31Å; D400-K459 WeakPolarHBondContact OD2-CD 3.38Å; D400-K459 VanDerWaalsContact OD2-CE 3.3Å; D400-K459 WeakPolarHBondContact OD2-CE 3.44Å; D400-K459 IonicContact OD2-NZ 3.69Å; D400-K459 PolarHBondContact OD2-NZ 3.15Å
401I83.4Confident70.7Confident1 Ų179.5 Ų79.51%0.00541%0.407CS..Hα-helixtrans-84.9-47.6176.1-60-175.3000110.6F398 C399 S403 K404 V460 K494 L495 F498F398-I401 HydrophobicContact CD1-CD1 3.61Å; F398-I401 HydrophobicContact CD1-CG1 4.36Å; F398-I401 HydrophobicContact CE1-CD1 4.1Å; F398-I401 PolarHBondContact O-N 3.06Å; C399-I401 VanDerWaalsContact C-N 3.26Å; C399-I401 PolarHBondContact O-N 3.35Å; I401-S403 PolarHBondContact O-N 3.09Å; I401-K404 PolarHBondContact O-N 2.7Å; I401-V460 HydrophobicContact CD1-CB 4.37Å; I401-V460 HydrophobicContact CD1-CG1 3.64Å; I401-V460 HydrophobicContact CD1-CG2 3.75Å; I401-V460 HydrophobicContact CG1-CG2 3.79Å; I401-K494 HydrophobicContact CG2-CB 3.5Å; I401-K494 VanDerWaalsContact CG2-CB 3.5Å; I401-L495 HydrophobicContact CD1-CD1 3.72Å; I401-F498 HydrophobicContact CD1-CG 4.39Å; I401-F498 HydrophobicContact CG1-CD2 4.28Å
402L83.2Confident68.1Low22 Ų2283.3 Ų83.312%0.11543%0.433CS..Hα-helixtrans-72.6-29.9-170.3-70.2172000113.3R395 F398 C399 K404 D490 L491 K494R395-L402 HydrophobicContact CB-CD1 4.49Å; R395-L402 HydrophobicContact CG-CD1 4.19Å; F398-L402 HydrophobicContact CB-CD1 4.01Å; F398-L402 HydrophobicContact CB-CG 4.14Å; F398-L402 WeakPolarHBondContact O-CB 3.35Å; F398-L402 WeakPolarHBondContact O-CG 3.34Å; F398-L402 PolarHBondContact O-N 3.23Å; C399-L402 PolarHBondContact O-N 3.41Å; L402-K404 PolarHBondContact O-N 3.15Å; L402-D490 HydrophobicContact CD2-CB 4.46Å; L402-L491 HydrophobicContact CD2-CB 4.35Å; L402-L491 HydrophobicContact CD2-CD1 4.11Å; L402-L491 HydrophobicContact CG-CD1 4.38Å; L402-K494 HydrophobicContact CD2-CD 4.22Å; L402-K494 PolarHBondContact O-NZ 2.87Å
403S77.2Confident65.2Low85 Ų8583.9 Ų83.959%0.59445%0.445SS*.THydrogen-bonded Turntrans-70-15.8178.8590000113.7C399 I401 K405C399-S403 WeakPolarHBondContact O-CB 3.5Å; C399-S403 PolarHBondContact O-N 2.87Å; C399-S403 PolarHBondContact O-OG 2.85Å; I401-S403 PolarHBondContact O-N 3.09Å; S403-K405 PolarHBondContact O-N 3.23Å
404K66.1Low62.3Low67 Ų6793.2 Ų93.229%0.29149%0.488SS..SBendtrans-71.4123.8173.6-67.6-179.3169.4-167.30110.4I401 L402 L406 K494 E501I401-K404 PolarHBondContact O-N 2.7Å; L402-K404 PolarHBondContact O-N 3.15Å; K404-L406 PolarHBondContact O-N 3.1Å; K404-K494 WeakPolarHBondContact O-CE 3.45Å; K404-E501 IonicContact NZ-OE1 3.34Å; K404-E501 PolarHBondContact NZ-OE1 3.1Å; K404-E501 IonicContact NZ-OE2 3.4Å; K404-E501 PolarHBondContact NZ-OE2 3.34Å
405K53.7Low59.3Low201 Ų20198 Ų9887%0.87453%0.527SS*.PPolyproline II helixtrans-69123.7166.5-73.9-170.4174.7-170.50108.9S403 L407S403-K405 PolarHBondContact O-N 3.23Å; K405-L407 PolarHBondContact O-N 3.44Å
406L53.3Low56.1Low84 Ų84100.2 Ų100.244%0.4454%0.543SS..PPolyproline II helixtrans-62.8127159.9-67.3165.7000106K404 E408 K494K404-L406 PolarHBondContact O-N 3.1Å; L406-E408 PolarHBondContact O-N 2.96Å; L406-K494 HydrophobicContact CD1-CG 4.11Å; L406-K494 HydrophobicContact CD2-CG 4.16Å; L406-K494 HydrophobicContact CG-CG 4.1Å
407L41.3Very low53.2Low153 Ų153105.6 Ų105.680%0.80158%0.579SS**  trans-62.498.5-179.8-83.8153.6000109.3K405K405-L407 PolarHBondContact O-N 3.44Å
408E35.3Very low49.9Very low183 Ų183110.4 Ų110.486%0.85562%0.62SS**PPolyproline II helixtrans-63.9137.4167.8-76.8176.2164.500109.6L406 Q410L406-E408 PolarHBondContact O-N 2.96Å; E408-Q410 PolarHBondContact O-N 3.4Å
409S34.1Very low46.8Very low94 Ų94115.9 Ų115.966%0.65766%0.658SS**PPolyproline II helixtrans-64127.6-179.1-55.20000109.7E411S409-E411 PolarHBondContact O-N 3.02Å
410Q27.9Very low44.5Very low191 Ų191118.3 Ų118.389%0.89367%0.673SS**PPolyproline II helixtrans-54.5127.1172.6-74.6179.6-22.200110.4E408E408-Q410 PolarHBondContact O-N 3.4Å
411E27Very low42Very low182 Ų182124.9 Ų124.985%0.8570%0.702SS**PPolyproline II helixtrans-56.2143.3167.1-72.5-176.4149.100110.5S409 A413S409-E411 PolarHBondContact O-N 3.02Å; E411-A413 PolarHBondContact O-N 3.24Å; E411-A413 VanDerWaalsContact O-N 3.1Å
412P33.9Very low39.3Very low127 Ų127132 Ų13283%0.82574%0.74SS**  trans-69.9111.6179.627.3-30.6000110H414P412-H414 PolarHBondContact O-N 3.43Å
413A29.5Very low36.6Very low98 Ų98137.8 Ų137.881%0.8178%0.776SS**PPolyproline II helixtrans-56.2128.917200000111E411 A415E411-A413 PolarHBondContact O-N 3.24Å; E411-A413 VanDerWaalsContact O-N 3.1Å; A413-A415 PolarHBondContact O-N 3Å
414H30.1Very low34.4Very low197 Ų197140.9 Ų140.991%0.91279%0.785SS**PPolyproline II helixtrans-49.2120.1173-84.1-74.4000112.2P412P412-H414 PolarHBondContact O-N 3.43Å
415A28.9Very low33Very low99 Ų99143.3 Ų143.382%0.81881%0.808SS**PPolyproline II helixtrans-90.3124.8169.500000110.6A413A413-A415 PolarHBondContact O-N 3Å
416Q25.9Very low31.8Very low186 Ų186139.5 Ų139.587%0.86980%0.801SS**PPolyproline II helixtrans-73.3150.8165.6-72.7-177.3-1800110.8
417P29.4Very low30.5Very low132 Ų132144.9 Ų144.986%0.85782%0.821SS**PPolyproline II helixtrans-89.7137-175.134-30000112
418A25Very low29.7Very low102 Ų102143.2 Ų143.284%0.84382%0.822SS**  trans-126.2143.7163.100000110.9
419S25.1Very low29.5Very low116 Ų116142.7 Ų142.781%0.81182%0.824SS**  trans-70.5169.6-164.348.50000116.7
420P41.9Very low29.4Very low115 Ų115146.4 Ų146.475%0.74784%0.836SS**  trans-101.1151.5-161.937.6-29.9000113.7
421Q29Very low29.3Very low188 Ų188146.7 Ų146.788%0.87983%0.834SS**  trans-162.1116.4153.6-110.1166.222.100114.6
422N27Very low29.3Very low150 Ų150150.6 Ų150.680%0.80284%0.841SS**  trans11.3137146.7-62.9-21.5000122.5
423V27.2Very low29.2Very low143 Ų143147.8 Ų147.887%0.86783%0.828SS**  171.1134.799.2165.90000110.5
424L30.3Very low29.3Very low150 Ų150152 Ų15279%0.78583%0.829SS**  trans-96.9164.5172.5-84.8161.6000110
425P37.4Very low29.4Very low118 Ų118151.3 Ų151.377%0.76683%0.826SS**  cis-154151.447.738.5-14.3000121.3
426V28.2Very low29.4Very low121 Ų121156.6 Ų156.673%0.73383%0.83SS**  trans27.5117.2140.8-162.50000122.7
427K25.6Very low29.7Very low198 Ų198152.1 Ų152.186%0.86182%0.819SS**  168.4109.8120.2-89.9179.5-173.8-179.10107.5
428S24.5Very low29.7Very low118 Ų118149.5 Ų149.583%0.82581%0.809SS**  179.6148.373.3500000109.7L430S428-L430 PolarHBondContact O-N 2.94Å
429L32.6Very low30Very low172 Ų172149.7 Ų149.790%0.90180%0.804SS**  trans-72.3108.8175.6-76.3122000111.1
430L30.5Very low30.4Very low171 Ų171148.6 Ų148.690%0.89579%0.793SS**  trans-179.8119.6150.7-101.9146.6000110.4S428S428-L430 PolarHBondContact O-N 2.94Å
431K25.9Very low29.8Very low197 Ų197150.8 Ų150.886%0.85779%0.786SS**  trans102.675178.8-74-177.5168.9174.10115.8A433K431-A433 VanDerWaalsContact C-N 3.31Å
432R27.2Very low30Very low265 Ų265148 Ų148100%178%0.777SS**  trans-10054.7151-145.9178-1631783.9109.3
433A31.6Very low30.5Very low67 Ų67145.5 Ų145.555%0.55476%0.763SS**  trans-137.3132.517300000106.8K431K431-A433 VanDerWaalsContact C-N 3.31Å
434F31.6Very low30.9Very low187 Ų187144.3 Ų144.382%0.8275%0.751SS**SBendtrans75.386.3-171.8-69.7-95.9000115.4
435Q33.3Very low31Very low183 Ų183145.3 Ų145.386%0.85574%0.744SS**  16584.4125.8-89.4168.5-1.500109.2
436K28.5Very low31.1Very low210 Ų210142.4 Ų142.491%0.91373%0.725SS**SBendtrans-160.137.6152.2-105-175.8-171.5-169.30110.4
437S32.8Very low31.7Very low91 Ų91142 Ų14264%0.63672%0.723SS**  trans-128.827.4177.4-47.40000111.6
438A29Very low33Very low78 Ų78134.8 Ų134.865%0.64570%0.704SS**  trans-108.3-1.5-167.600000115.2
439S30.8Very low34.4Very low106 Ų106132 Ų13274%0.74170%0.695SS**SBendtrans-101.7-13-179.4102.40000115.5
440V33.9Very low35.9Very low93 Ų93125.8 Ų125.856%0.56466%0.66SS**SBendtrans-111.4-11.8179.2-173.90000113.2N442 I443V440-N442 PolarHBondContact O-N 3.43Å; V440-I443 PolarHBondContact O-N 3.19Å
441R29.1Very low37.8Very low160 Ų160126.7 Ų126.760%0.60465%0.652SS**THydrogen-bonded Turntrans-60.9-4.9172.9-94.3-175.6-174.1174.43.8114.8
442N32.3Very low40.1Very low129 Ų129119.7 Ų119.769%0.6963%0.625SS**THydrogen-bonded Turntrans-103.9-6.7-177.7-71.3-11000114.5V440V440-N442 PolarHBondContact O-N 3.43Å
443I38.8Very low42.3Very low98 Ų98112.3 Ų112.350%0.50361%0.606SS.*THydrogen-bonded Turntrans-99.4-22.2-176.2-59176.5000112.8V440V440-I443 PolarHBondContact O-N 3.19Å
444L35.9Very low44.8Very low118 Ų118110.8 Ų110.862%0.61859%0.591SS**SBendtrans-132.334.9-178.8-71.3168000113.3
445R31.5Very low47.3Very low172 Ų172105.5 Ų105.565%0.64958%0.582SS**  trans-71.6131160.6-90.6-177.5176.6-170-1.2107.5V447R445-V447 HydrophobicContact CB-CG2 4.34Å; R445-V447 PolarHBondContact O-N 3.39Å
446P39.4Very low49.8Very low57 Ų5799.5 Ų99.537%0.3755%0.554SS.*  trans-66.887.8166.428.8-30.7000106.5G448P446-G448 PolarHBondContact O-N 3.06Å
447V41.6Very low52.6Low112 Ų11289.6 Ų89.668%0.67951%0.511SS*.  trans-75.289.4166.2-171.70000103.6R445 G449R445-V447 HydrophobicContact CB-CG2 4.34Å; R445-V447 PolarHBondContact O-N 3.39Å; V447-G449 PolarHBondContact O-N 2.95Å
448G52.5Low55.2Low46 Ų4689.6 Ų89.647%0.47450%0.501SS..  trans-50.9113.6164.800000106.8P446P446-G448 PolarHBondContact O-N 3.06Å
449G54.1Low58.2Low60 Ų6087.7 Ų87.762%0.61948%0.478SS*.  trans-146.6-28.9-164.400000113.5V447 E501V447-G449 PolarHBondContact O-N 2.95Å; G449-E501 PolarHBondContact N-O 2.86Å
450K64.1Low61.1Low41 Ų4182.7 Ų82.718%0.17844%0.443CS..SBendtrans-96.1131.2175.3-71.3-168.3173.2-169.80111E456 F498 E501 L502K450-E456 WeakPolarHBondContact CE-OE2 3.46Å; K450-E456 IonicContact NZ-OE1 3.48Å; K450-E456 PolarHBondContact NZ-OE1 3.4Å; K450-E456 IonicContact NZ-OE2 2.83Å; K450-E456 PolarHBondContact NZ-OE2 3.01Å; K450-F498 HydrophobicContact CD-CE2 4.21Å; K450-E501 HydrophobicContact CD-CB 4.46Å; K450-E501 VanDerWaalsContact CD-OE2 3.3Å; K450-E501 WeakPolarHBondContact CD-OE2 3.44Å; K450-E501 WeakPolarHBondContact CE-OE2 3.22Å; K450-E501 HydrophobicContact CG-CB 4.48Å; K450-E501 PolarHBondContact N-O 3.3Å; K450-E501 IonicContact NZ-OE2 2.9Å; K450-E501 PolarHBondContact NZ-OE2 3.27Å; K450-L502 HydrophobicContact CB-CD2 4.38Å
451R69.4Low63.9Low190 Ų19078.4 Ų78.472%0.71742%0.417SS*.  trans-78.9136.1172.8-52.6-175.6174.2-178.1-1.4109.5D453 S454R451-D453 WeakPolarHBondContact CB-OD1 3.34Å; R451-D453 PolarHBondContact O-N 3.42Å; R451-S454 VanDerWaalsContact O-CB 3.3Å; R451-S454 WeakPolarHBondContact O-CB 3.47Å; R451-S454 PolarHBondContact O-N 2.91Å; R451-S454 PolarHBondContact O-OG 3.44Å
452V75.1Confident67Low50 Ų5073.7 Ų73.730%0.30340%0.404SS..THydrogen-bonded Turntrans-60.7-28.9-178.5178.30000111.8S454 L510 L525V452-S454 VanDerWaalsContact C-N 3.29Å; V452-S454 PolarHBondContact O-N 3.33Å; V452-L510 HydrophobicContact CG2-CD1 4.1Å; V452-L510 HydrophobicContact CG2-CD2 3.83Å; V452-L525 HydrophobicContact CG1-CD1 3.78Å; V452-L525 HydrophobicContact CG1-CD2 4.48Å
453D73.3Confident70Confident110 Ų11067.6 Ų67.659%0.58837%0.371SS*.THydrogen-bonded Turntrans-81.52.3177.664.6-22.5000114.2R451R451-D453 WeakPolarHBondContact CB-OD1 3.34Å; R451-D453 PolarHBondContact O-N 3.42Å
454S84.2Confident72.7Confident35 Ų3562.9 Ų62.925%0.24535%0.347CS..SBendtrans-71143.6178.665.20000112.3R451 V452 E456 V457 Q458R451-S454 VanDerWaalsContact O-CB 3.3Å; R451-S454 WeakPolarHBondContact O-CB 3.47Å; R451-S454 PolarHBondContact O-N 2.91Å; R451-S454 PolarHBondContact O-OG 3.44Å; V452-S454 VanDerWaalsContact C-N 3.29Å; V452-S454 PolarHBondContact O-N 3.33Å; S454-E456 PolarHBondContact O-N 3.12Å; S454-V457 PolarHBondContact O-N 3.09Å; S454-V457 WeakPolarHBondContact OG-CG2 3.26Å; S454-Q458 PolarHBondContact O-N 3.05Å; S454-Q458 VanDerWaalsContact O-N 3.09Å
455A83.8Confident75.6Confident76 Ų7658.9 Ų58.963%0.62833%0.328SS*.Hα-helixtrans-57.7-34.9-18000000112.9Q458 K459A455-Q458 PolarHBondContact O-N 3.47Å; A455-K459 WeakPolarHBondContact O-CB 3.39Å; A455-K459 PolarHBondContact O-N 2.76Å
456E85.6Confident78.7Confident58 Ų5850.7 Ų50.727%0.27130%0.297SS..Hα-helixtrans-62-43.1175.2-167.8-167.4168.300111.7D400 K450 S454 K459 V460D400-E456 HydrophobicContact CB-CG 3.98Å; K450-E456 WeakPolarHBondContact CE-OE2 3.46Å; K450-E456 IonicContact NZ-OE1 3.48Å; K450-E456 PolarHBondContact NZ-OE1 3.4Å; K450-E456 IonicContact NZ-OE2 2.83Å; K450-E456 PolarHBondContact NZ-OE2 3.01Å; S454-E456 PolarHBondContact O-N 3.12Å; E456-K459 PolarHBondContact O-N 2.93Å; E456-V460 WeakPolarHBondContact O-CG2 3.45Å; E456-V460 PolarHBondContact O-N 2.92Å
457V86.9Confident81.4Confident2 Ų248 Ų481%0.01228%0.279CS..Hα-helixtrans-67-44.6178.3174.70000111.2S454 K459 V460 C461 F498 L502 L525S454-V457 PolarHBondContact O-N 3.09Å; S454-V457 WeakPolarHBondContact OG-CG2 3.26Å; V457-K459 VanDerWaalsContact C-N 3.33Å; V457-K459 PolarHBondContact O-N 3.19Å; V457-V460 PolarHBondContact O-N 2.87Å; V457-C461 WeakPolarHBondContact O-CB 3.22Å; V457-C461 PolarHBondContact O-N 2.92Å; V457-C461 PolarHBondContact O-SG 3.46Å; V457-F498 HydrophobicContact CB-CZ 4.38Å; V457-F498 HydrophobicContact CG2-CE1 4.42Å; V457-F498 HydrophobicContact CG2-CZ 3.78Å; V457-L502 HydrophobicContact CG1-CD2 4.13Å; V457-L502 HydrophobicContact CG2-CD2 3.7Å; V457-L525 HydrophobicContact CG1-CD2 4.42Å
458Q88.7Confident84Confident90 Ų9043.3 Ų43.342%0.42125%0.25SC..Hα-helixtrans-60.3-43.6176.6-69.3-177.5-20.400111.8S454 A455 C461 N462S454-Q458 PolarHBondContact O-N 3.05Å; S454-Q458 VanDerWaalsContact O-N 3.09Å; A455-Q458 PolarHBondContact O-N 3.47Å; Q458-C461 PolarHBondContact O-N 3.06Å; Q458-N462 WeakPolarHBondContact O-CB 3.39Å; Q458-N462 PolarHBondContact O-N 2.93Å; Q458-N462 PolarHBondContact O-ND2 3.3Å
459K90.9Very high86Confident38 Ų3841.9 Ų41.917%0.16523%0.232CC..Hα-helixtrans-60-50.4176.9178.5171.1173.8-156.50112.1D332 D400 A455 E456 V457 C461 N462 I463D332-K459 WeakPolarHBondContact OD1-CD 3.39Å; D332-K459 VanDerWaalsContact OD1-CG 3.31Å; D332-K459 WeakPolarHBondContact OD1-CG 3.48Å; D400-K459 IonicContact OD1-NZ 3.06Å; D400-K459 VanDerWaalsContact OD2-CD 3.31Å; D400-K459 WeakPolarHBondContact OD2-CD 3.38Å; D400-K459 VanDerWaalsContact OD2-CE 3.3Å; D400-K459 WeakPolarHBondContact OD2-CE 3.44Å; D400-K459 IonicContact OD2-NZ 3.69Å; D400-K459 PolarHBondContact OD2-NZ 3.15Å; A455-K459 WeakPolarHBondContact O-CB 3.39Å; A455-K459 PolarHBondContact O-N 2.76Å; E456-K459 PolarHBondContact O-N 2.93Å; V457-K459 VanDerWaalsContact C-N 3.33Å; V457-K459 PolarHBondContact O-N 3.19Å; K459-C461 VanDerWaalsContact C-N 3.33Å; K459-C461 PolarHBondContact O-N 3.33Å; K459-N462 PolarHBondContact O-N 3.05Å; K459-I463 HydrophobicContact CG-CD1 4.04Å; K459-I463 WeakPolarHBondContact O-CD1 3.31Å; K459-I463 VanDerWaalsContact O-CG1 3.32Å; K459-I463 WeakPolarHBondContact O-CG1 3.42Å; K459-I463 PolarHBondContact O-N 3.32Å
460V92.6Very high87.9Confident2 Ų239 Ų391%0.01220%0.202CC..Hα-helixtrans-59.8-43177168.80000111.6I401 E456 V457 I463 C464 L495 F498 M528I401-V460 HydrophobicContact CD1-CB 4.37Å; I401-V460 HydrophobicContact CD1-CG1 3.64Å; I401-V460 HydrophobicContact CD1-CG2 3.75Å; I401-V460 HydrophobicContact CG1-CG2 3.79Å; E456-V460 WeakPolarHBondContact O-CG2 3.45Å; E456-V460 PolarHBondContact O-N 2.92Å; V457-V460 PolarHBondContact O-N 2.87Å; V460-I463 PolarHBondContact O-N 3.41Å; V460-C464 PolarHBondContact O-N 3.45Å; V460-C464 PolarHBondContact O-SG 2.69Å; V460-L495 HydrophobicContact CG1-CD1 4.32Å; V460-F498 HydrophobicContact CB-CE1 4.07Å; V460-F498 HydrophobicContact CB-CZ 4Å; V460-F498 HydrophobicContact CG1-CD1 4.17Å; V460-F498 HydrophobicContact CG1-CE1 3.76Å; V460-F498 HydrophobicContact CG1-CZ 4.16Å; V460-F498 HydrophobicContact CG2-CE1 4.38Å; V460-F498 HydrophobicContact CG2-CE2 4.22Å; V460-F498 HydrophobicContact CG2-CZ 3.93Å; V460-M528 HydrophobicContact CG1-SD 4Å
461C92.5Very high89.3Confident2 Ų237.1 Ų37.11%0.01419%0.194CC..Hα-helixtrans-65.3-42.6178.9-64.90000111.8V457 Q458 K459 I463 C464 V465 Q524V457-C461 WeakPolarHBondContact O-CB 3.22Å; V457-C461 PolarHBondContact O-N 2.92Å; V457-C461 PolarHBondContact O-SG 3.46Å; Q458-C461 PolarHBondContact O-N 3.06Å; K459-C461 VanDerWaalsContact C-N 3.33Å; K459-C461 PolarHBondContact O-N 3.33Å; C461-I463 VanDerWaalsContact C-N 3.3Å; C461-I463 PolarHBondContact O-N 3.17Å; C461-C464 CarbonylContact O-C 3.48Å; C461-C464 WeakPolarHBondContact O-CA 3.3Å; C461-C464 WeakPolarHBondContact O-CB 3.49Å; C461-C464 PolarHBondContact O-N 2.94Å; C461-V465 WeakPolarHBondContact O-CG2 3.36Å; C461-V465 PolarHBondContact O-N 2.96Å; C461-Q524 HydrophobicContact CB-CB 3.97Å
462N93.8Very high90.3Very high61 Ų6129.7 Ų29.733%0.32617%0.17SC..Hα-helixtrans-59.9-40.2176.1-71.6-23000112V335 Q458 K459 C464 V465 L466 Q524V335-N462 HydrophobicContact CG1-CB 4.16Å; V335-N462 WeakPolarHBondContact CG1-O 3.39Å; Q458-N462 WeakPolarHBondContact O-CB 3.39Å; Q458-N462 PolarHBondContact O-N 2.93Å; Q458-N462 PolarHBondContact O-ND2 3.3Å; K459-N462 PolarHBondContact O-N 3.05Å; N462-C464 VanDerWaalsContact C-N 3.34Å; N462-V465 PolarHBondContact O-N 2.97Å; N462-L466 PolarHBondContact O-N 3.19Å; N462-Q524 PolarHBondContact OD1-NE2 3.13Å
463I95.9Very high91Very high1 Ų127.8 Ų27.81%0.00516%0.159CC..Hα-helixtrans-64.1-41.9173.9-65156.6000110.5V335 F397 F398 K459 V460 C461 V465 L466 Y467V335-I463 HydrophobicContact CG1-CG1 4.24Å; V335-I463 HydrophobicContact CG2-CG1 3.93Å; F397-I463 HydrophobicContact CB-CD1 4.05Å; F397-I463 HydrophobicContact CB-CG1 4.22Å; F397-I463 HydrophobicContact CB-CG2 3.97Å; F397-I463 HydrophobicContact CD2-CG2 4.5Å; F397-I463 WeakPolarHBondContact O-CD1 3.46Å; F398-I463 HydrophobicContact CD1-CG2 4.37Å; F398-I463 HydrophobicContact CD2-CG2 4.15Å; F398-I463 HydrophobicContact CE1-CB 4.44Å; F398-I463 HydrophobicContact CE1-CG2 3.83Å; F398-I463 HydrophobicContact CE2-CG2 3.6Å; F398-I463 HydrophobicContact CZ-CB 4.41Å; F398-I463 HydrophobicContact CZ-CG2 3.42Å; F398-I463 VanDerWaalsContact CZ-CG2 3.42Å; K459-I463 HydrophobicContact CG-CD1 4.04Å; K459-I463 WeakPolarHBondContact O-CD1 3.31Å; K459-I463 VanDerWaalsContact O-CG1 3.32Å; K459-I463 WeakPolarHBondContact O-CG1 3.42Å; K459-I463 PolarHBondContact O-N 3.32Å; V460-I463 PolarHBondContact O-N 3.41Å; C461-I463 VanDerWaalsContact C-N 3.3Å; C461-I463 PolarHBondContact O-N 3.17Å; I463-V465 VanDerWaalsContact C-N 3.33Å; I463-V465 PolarHBondContact O-N 3.32Å; I463-L466 WeakPolarHBondContact O-CB 3.26Å; I463-L466 PolarHBondContact O-N 3.37Å; I463-Y467 HydrophobicContact CG2-CD2 3.85Å; I463-Y467 HydrophobicContact CG2-CE2 3.62Å; I463-Y467 VanDerWaalsContact O-CD2 3.23Å; I463-Y467 WeakPolarHBondContact O-CD2 3.4Å; I463-Y467 PolarHBondContact O-N 3.29Å; I463-Y467 VanDerWaalsContact O-N 3.12Å
464C95.9Very high91.8Very high0 Ų022.6 Ų22.60%013%0.131CC..Hα-helixtrans-65.3-38.3177.4-65.10000112.3V460 C461 N462 Y467 Q468 M528 L531V460-C464 PolarHBondContact O-N 3.45Å; V460-C464 PolarHBondContact O-SG 2.69Å; C461-C464 CarbonylContact O-C 3.48Å; C461-C464 WeakPolarHBondContact O-CA 3.3Å; C461-C464 WeakPolarHBondContact O-CB 3.49Å; C461-C464 PolarHBondContact O-N 2.94Å; N462-C464 VanDerWaalsContact C-N 3.34Å; C464-Y467 PolarHBondContact O-N 3.2Å; C464-Q468 WeakPolarHBondContact O-CB 3.33Å; C464-Q468 PolarHBondContact O-N 3.19Å; C464-M528 HydrophobicContact CB-CB 3.91Å; C464-M528 HydrophobicContact CB-CG 4.37Å; C464-L531 HydrophobicContact CB-CD2 3.91Å
465V95.8Very high91.9Very high34 Ų3424.2 Ų24.221%0.20614%0.139CC..Hα-helixtrans-62.4-42.1173170.90000110.9T339 C461 N462 I463 Y467 Q468 T469 Q524 A527T339-V465 HydrophobicContact CG2-CG1 4.03Å; C461-V465 WeakPolarHBondContact O-CG2 3.36Å; C461-V465 PolarHBondContact O-N 2.96Å; N462-V465 PolarHBondContact O-N 2.97Å; I463-V465 VanDerWaalsContact C-N 3.33Å; I463-V465 PolarHBondContact O-N 3.32Å; V465-Y467 PolarHBondContact O-N 3.05Å; V465-Q468 PolarHBondContact O-N 3.05Å; V465-T469 VanDerWaalsContact O-CB 3.3Å; V465-T469 WeakPolarHBondContact O-CB 3.26Å; V465-T469 PolarHBondContact O-N 3.38Å; V465-T469 PolarHBondContact O-OG1 3.05Å; V465-Q524 HydrophobicContact CG2-CB 4.43Å; V465-Q524 HydrophobicContact CG2-CG 4.07Å; V465-A527 HydrophobicContact CG2-CB 3.79Å
466L96.4Very high92Very high0 Ų024.9 Ų24.90%013%0.13CC..Hα-helixtrans-55.8-50.1174.4169.162.5000111.5V335 L338 T339 L342 L388 F397 N462 I463 T469 S470V335-L466 HydrophobicContact CB-CD2 4.36Å; V335-L466 HydrophobicContact CG1-CB 4.02Å; V335-L466 HydrophobicContact CG1-CD2 4.07Å; V335-L466 HydrophobicContact CG2-CD2 4.15Å; L338-L466 HydrophobicContact CB-CD1 3.54Å; L338-L466 HydrophobicContact CB-CD2 4.39Å; L338-L466 HydrophobicContact CD1-CD2 4.17Å; T339-L466 WeakPolarHBondContact OG1-CB 3.19Å; L342-L466 HydrophobicContact CD1-CD1 3.74Å; L388-L466 HydrophobicContact CD1-CD2 4Å; L388-L466 HydrophobicContact CD1-CG 4.48Å; F397-L466 HydrophobicContact CE2-CD2 3.97Å; N462-L466 PolarHBondContact O-N 3.19Å; I463-L466 WeakPolarHBondContact O-CB 3.26Å; I463-L466 PolarHBondContact O-N 3.37Å; L466-T469 PolarHBondContact O-N 3.45Å; L466-S470 WeakPolarHBondContact O-CB 3.34Å; L466-S470 PolarHBondContact O-N 2.94Å; L466-S470 PolarHBondContact O-OG 3.27Å
467Y96.6Very high92.1Very high0 Ų022.6 Ų22.60%012%0.119CC..Hα-helixtrans-69.9-37.4-179.7-74.1-67.2000112.6L388 W389 F397 F398 I463 C464 V465 S470 L471 I481 L485 L531L388-Y467 HydrophobicContact CD1-CE1 4.27Å; L388-Y467 HydrophobicContact CG-CE1 4.11Å; L388-Y467 PolarHBondContact O-OH 3.17Å; W389-Y467 HydrophobicContact CB-CE1 4.46Å; F397-Y467 HydrophobicContact CD2-CE2 4.26Å; F398-Y467 HydrophobicContact CE2-CD2 4.08Å; F398-Y467 AromaticContact CE2-CE2 3.61Å; F398-Y467 HydrophobicContact CE2-CE2 3.61Å; F398-Y467 HydrophobicContact CZ-CD2 4.29Å; F398-Y467 HydrophobicContact CZ-CE2 4.24Å; I463-Y467 HydrophobicContact CG2-CD2 3.85Å; I463-Y467 HydrophobicContact CG2-CE2 3.62Å; I463-Y467 VanDerWaalsContact O-CD2 3.23Å; I463-Y467 WeakPolarHBondContact O-CD2 3.4Å; I463-Y467 PolarHBondContact O-N 3.29Å; I463-Y467 VanDerWaalsContact O-N 3.12Å; C464-Y467 PolarHBondContact O-N 3.2Å; V465-Y467 PolarHBondContact O-N 3.05Å; Y467-S470 WeakPolarHBondContact O-CB 3.49Å; Y467-S470 PolarHBondContact O-N 3.49Å; Y467-L471 VanDerWaalsContact O-CG 3.27Å; Y467-L471 WeakPolarHBondContact O-CG 3.31Å; Y467-L471 PolarHBondContact O-N 2.9Å; Y467-I481 HydrophobicContact CD1-CG2 4.46Å; Y467-L485 HydrophobicContact CD1-CD1 3.94Å; Y467-L485 HydrophobicContact CD1-CD2 3.9Å; Y467-L485 HydrophobicContact CD1-CG 4.31Å; Y467-L485 HydrophobicContact CD2-CD2 4.27Å; Y467-L485 HydrophobicContact CE1-CD1 4.5Å; Y467-L485 HydrophobicContact CE1-CD2 3.66Å; Y467-L485 HydrophobicContact CE1-CG 4.39Å; Y467-L485 HydrophobicContact CE2-CD2 4.06Å; Y467-L485 HydrophobicContact CG-CD1 4.08Å; Y467-L485 HydrophobicContact CG-CD2 4.19Å; Y467-L531 HydrophobicContact CD2-CD2 4.33Å; Y467-L531 HydrophobicContact CG-CD2 4.43Å
468Q95.1Very high92.2Very high14 Ų1425.6 Ų25.67%0.06513%0.13CC..Hα-helixtrans-60.7-46.5171.8-83.4-62.8-20.900112C464 V465 S470 L471 T472 A527 M530 L531C464-Q468 WeakPolarHBondContact O-CB 3.33Å; C464-Q468 PolarHBondContact O-N 3.19Å; V465-Q468 PolarHBondContact O-N 3.05Å; Q468-S470 PolarHBondContact O-N 3.37Å; Q468-L471 PolarHBondContact O-N 3.46Å; Q468-L471 VanDerWaalsContact O-N 3.11Å; Q468-T472 WeakPolarHBondContact O-CG2 3.5Å; Q468-T472 PolarHBondContact O-N 3.14Å; Q468-T472 PolarHBondContact O-OG1 3.26Å; Q468-A527 HydrophobicContact CG-CB 4.29Å; Q468-A527 WeakPolarHBondContact CG-O 3.39Å; Q468-M530 HydrophobicContact CG-CB 4.47Å; Q468-L531 HydrophobicContact CG-CB 4.07Å; Q468-L531 HydrophobicContact CG-CD1 4.47Å
469T94.4Very high92.1Very high15 Ų1527 Ų279%0.09214%0.14CC..Hα-helixtrans-60.9-36.3175.2-50.90000111.1L342 V465 L466 T472 T473L342-T469 HydrophobicContact CB-CG2 3.66Å; L342-T469 HydrophobicContact CD1-CG2 4.5Å; V465-T469 VanDerWaalsContact O-CB 3.3Å; V465-T469 WeakPolarHBondContact O-CB 3.26Å; V465-T469 PolarHBondContact O-N 3.38Å; V465-T469 PolarHBondContact O-OG1 3.05Å; L466-T469 PolarHBondContact O-N 3.45Å; T469-T472 WeakPolarHBondContact CA-OG1 3.49Å; T469-T472 PolarHBondContact O-OG1 2.66Å; T469-T472 VanDerWaalsContact O-OG1 3.09Å; T469-T473 WeakPolarHBondContact O-CB 3.26Å; T469-T473 PolarHBondContact O-N 3.02Å; T469-T473 PolarHBondContact O-OG1 2.85Å
470S95.1Very high91.9Very high0 Ų028.9 Ų28.90%015%0.149CC..Hα-helixtrans-65.2-43.8174.5-56.90000111.7L342 L466 Y467 Q468 T472 T473 L474L342-S470 WeakPolarHBondContact CD1-OG 3.47Å; L466-S470 WeakPolarHBondContact O-CB 3.34Å; L466-S470 PolarHBondContact O-N 2.94Å; L466-S470 PolarHBondContact O-OG 3.27Å; Y467-S470 WeakPolarHBondContact O-CB 3.49Å; Y467-S470 PolarHBondContact O-N 3.49Å; Q468-S470 PolarHBondContact O-N 3.37Å; S470-T472 VanDerWaalsContact C-N 3.33Å; S470-T472 PolarHBondContact O-N 3.02Å; S470-T473 PolarHBondContact O-N 2.74Å; S470-L474 VanDerWaalsContact O-CB 3.26Å; S470-L474 WeakPolarHBondContact O-CB 3.16Å; S470-L474 WeakPolarHBondContact O-CG 3.36Å; S470-L474 PolarHBondContact O-N 3.46Å
471L92.8Very high91.9Very high1 Ų128.8 Ų28.81%0.00515%0.149CC..Hα-helixtrans-67.1-30.5179.4-71.6173.3000113.3Y467 Q468 R478 I481 L482 L531Y467-L471 VanDerWaalsContact O-CG 3.27Å; Y467-L471 WeakPolarHBondContact O-CG 3.31Å; Y467-L471 PolarHBondContact O-N 2.9Å; Q468-L471 PolarHBondContact O-N 3.46Å; Q468-L471 VanDerWaalsContact O-N 3.11Å; L471-R478 HydrophobicContact CB-CG 4.48Å; L471-R478 HydrophobicContact CD2-CG 3.68Å; L471-R478 PolarHBondContact O-NH1 3.44Å; L471-I481 HydrophobicContact CD2-CB 3.84Å; L471-I481 HydrophobicContact CD2-CD1 4.43Å; L471-I481 HydrophobicContact CD2-CG2 3.75Å; L471-I481 HydrophobicContact CG-CG2 4.28Å; L471-L482 HydrophobicContact CD1-CD2 3.85Å; L471-L482 HydrophobicContact CD2-CD1 4.49Å; L471-L482 HydrophobicContact CD2-CD2 3.74Å; L471-L482 HydrophobicContact CD2-CG 3.7Å; L471-L482 HydrophobicContact CG-CD2 4.48Å; L471-L531 HydrophobicContact CD1-CD1 3.73Å
472T90.1Very high91.8Very high35 Ų3528.9 Ų28.922%0.21515%0.149CC..Hα-helixtrans-86.5-32.2177.157.10000112.7Q468 T469 S470 T475Q468-T472 WeakPolarHBondContact O-CG2 3.5Å; Q468-T472 PolarHBondContact O-N 3.14Å; Q468-T472 PolarHBondContact O-OG1 3.26Å; T469-T472 WeakPolarHBondContact CA-OG1 3.49Å; T469-T472 PolarHBondContact O-OG1 2.66Å; T469-T472 VanDerWaalsContact O-OG1 3.09Å; S470-T472 VanDerWaalsContact C-N 3.33Å; S470-T472 PolarHBondContact O-N 3.02Å; T472-T475 VanDerWaalsContact O-CG2 3.32Å; T472-T475 WeakPolarHBondContact O-CG2 3.39Å
473T90.6Very high91.4Very high10 Ų1029 Ų296%0.06115%0.152CC..Hα-helixtrans-82.3-44.5179.9-56.20000112.1L342 C345 Q346 L363 T469 S470 T475L342-T473 HydrophobicContact CD2-CG2 4.07Å; C345-T473 HydrophobicContact CB-CG2 3.94Å; Q346-T473 HydrophobicContact CB-CG2 4.35Å; L363-T473 HydrophobicContact CD2-CG2 4.23Å; T469-T473 WeakPolarHBondContact O-CB 3.26Å; T469-T473 PolarHBondContact O-N 3.02Å; T469-T473 PolarHBondContact O-OG1 2.85Å; S470-T473 PolarHBondContact O-N 2.74Å; T473-T475 PolarHBondContact O-N 3.47Å
474L91Very high90.9Very high0 Ų029.6 Ų29.60%016%0.158CC..  trans-98.351.1-172-48.6176.9000111.4L310 L342 V362 L363 S470 Q476 I477 R478 I481L310-L474 HydrophobicContact CD2-CD2 4.18Å; L342-L474 HydrophobicContact CD2-CD1 4.17Å; L342-L474 HydrophobicContact CD2-CD2 4.09Å; L342-L474 HydrophobicContact CD2-CG 4.11Å; V362-L474 HydrophobicContact CG1-CB 4.45Å; V362-L474 HydrophobicContact CG1-CD2 3.51Å; V362-L474 HydrophobicContact CG1-CG 4.48Å; L363-L474 HydrophobicContact CD2-CD2 4.34Å; S470-L474 VanDerWaalsContact O-CB 3.26Å; S470-L474 WeakPolarHBondContact O-CB 3.16Å; S470-L474 WeakPolarHBondContact O-CG 3.36Å; S470-L474 PolarHBondContact O-N 3.46Å; L474-Q476 PolarHBondContact O-N 2.98Å; L474-Q476 VanDerWaalsContact O-N 3.09Å; L474-I477 HydrophobicContact CB-CD1 4.1Å; L474-I477 HydrophobicContact CB-CG1 3.72Å; L474-I477 HydrophobicContact CD1-CD1 4.26Å; L474-I477 CarbonylContact O-C 3.52Å; L474-I477 WeakPolarHBondContact O-CG1 3.49Å; L474-I477 PolarHBondContact O-N 3.23Å; L474-R478 PolarHBondContact O-N 3.32Å; L474-R478 VanDerWaalsContact O-N 3.12Å; L474-I481 HydrophobicContact CB-CD1 4.04Å; L474-I481 HydrophobicContact CD1-CD1 4.12Å
475T86.3Confident90.6Very high70 Ų7029.7 Ų29.743%0.42916%0.159SC..G310 helixtrans-54.9-33.5-169.958.30000114.5T472 T473 I477 R478T472-T475 VanDerWaalsContact O-CG2 3.32Å; T472-T475 WeakPolarHBondContact O-CG2 3.39Å; T473-T475 PolarHBondContact O-N 3.47Å; T475-I477 VanDerWaalsContact C-N 3.28Å; T475-I477 PolarHBondContact O-N 3.36Å; T475-R478 WeakPolarHBondContact O-CB 3.44Å; T475-R478 PolarHBondContact O-N 3.34Å
476Q85.9Confident90.2Very high90 Ų9028.5 Ų28.542%0.42115%0.152SC..G310 helixtrans-70.7-24.1-178.3-56.6-53.6-72.800113.1P361 L474P361-Q476 WeakPolarHBondContact O-CB 3.32Å; L474-Q476 PolarHBondContact O-N 2.98Å; L474-Q476 VanDerWaalsContact O-N 3.09Å
477I87.8Confident89.4Confident10 Ų1036.7 Ų36.75%0.05118%0.184CC..G310 helixtrans-116.114.6179.559.6178.3000112.2V362 T382 L385 W389 L474 T475 L479 Q480 I481V362-I477 HydrophobicContact CG1-CD1 4.07Å; T382-I477 HydrophobicContact CG2-CG2 4.33Å; L385-I477 HydrophobicContact CD1-CD1 4.32Å; W389-I477 HydrophobicContact CH2-CD1 3.71Å; W389-I477 HydrophobicContact CZ2-CD1 4.4Å; L474-I477 HydrophobicContact CB-CD1 4.1Å; L474-I477 HydrophobicContact CB-CG1 3.72Å; L474-I477 HydrophobicContact CD1-CD1 4.26Å; L474-I477 CarbonylContact O-C 3.52Å; L474-I477 WeakPolarHBondContact O-CG1 3.49Å; L474-I477 PolarHBondContact O-N 3.23Å; T475-I477 VanDerWaalsContact C-N 3.28Å; T475-I477 PolarHBondContact O-N 3.36Å; I477-L479 VanDerWaalsContact C-N 3.27Å; I477-L479 PolarHBondContact O-N 2.83Å; I477-Q480 WeakPolarHBondContact O-CB 3.48Å; I477-Q480 PolarHBondContact O-N 3.09Å; I477-I481 HydrophobicContact CG1-CD1 4.49Å; I477-I481 PolarHBondContact O-N 3.33Å
478R89Confident88.7Confident64 Ų6437.4 Ų37.424%0.24219%0.187CC..Hα-helixtrans-50-44.3-179.6-176.1-176166.595.44.3112.8L471 L474 T475 Q480 I481 L482 D534L471-R478 HydrophobicContact CB-CG 4.48Å; L471-R478 HydrophobicContact CD2-CG 3.68Å; L471-R478 PolarHBondContact O-NH1 3.44Å; L474-R478 PolarHBondContact O-N 3.32Å; L474-R478 VanDerWaalsContact O-N 3.12Å; T475-R478 WeakPolarHBondContact O-CB 3.44Å; T475-R478 PolarHBondContact O-N 3.34Å; R478-Q480 VanDerWaalsContact C-N 3.33Å; R478-Q480 PolarHBondContact O-N 2.95Å; R478-I481 PolarHBondContact O-N 2.86Å; R478-L482 HydrophobicContact CG-CD1 4.33Å; R478-L482 WeakPolarHBondContact O-CG 3.25Å; R478-L482 PolarHBondContact O-N 2.92Å; R478-D534 IonicContact CZ-OD2 3.53Å; R478-D534 IonicContact NH2-OD1 3.47Å; R478-D534 PolarHBondContact NH2-OD1 3.44Å; R478-D534 IonicContact NH2-OD2 3.18Å; R478-D534 PolarHBondContact NH2-OD2 3.32Å
479L86.1Confident87.9Confident119 Ų11941 Ų4162%0.62321%0.207SC*.Hα-helixtrans-66.4-32.5179.4-65.8176.5000112.9I477 T483I477-L479 VanDerWaalsContact C-N 3.27Å; I477-L479 PolarHBondContact O-N 2.83Å; L479-T483 WeakPolarHBondContact O-CB 3.41Å; L479-T483 PolarHBondContact O-N 2.97Å; L479-T483 PolarHBondContact O-OG1 3.3Å
480Q86.9Confident87.4Confident79 Ų7944.4 Ų44.437%0.36923%0.225SC..Hα-helixtrans-67.8-40.7175.6-60.6-176.118.900110.9W389 I477 R478 T483 G484W389-Q480 HydrophobicContact CZ2-CB 4.22Å; W389-Q480 PolarHBondContact NE1-O 3.34Å; I477-Q480 WeakPolarHBondContact O-CB 3.48Å; I477-Q480 PolarHBondContact O-N 3.09Å; R478-Q480 VanDerWaalsContact C-N 3.33Å; R478-Q480 PolarHBondContact O-N 2.95Å; Q480-T483 PolarHBondContact O-N 3.07Å; Q480-G484 PolarHBondContact O-N 2.9Å
481I91.4Very high87.2Confident0 Ų044.6 Ų44.60%023%0.226CC..Hα-helixtrans-61.7-50.8176.3-57.4171.2000110.1W389 Y467 L471 L474 I477 R478 T483 G484 L485W389-I481 HydrophobicContact CB-CG2 4.5Å; W389-I481 HydrophobicContact CD2-CB 4.32Å; W389-I481 HydrophobicContact CD2-CG1 3.89Å; W389-I481 HydrophobicContact CE3-CB 4.38Å; W389-I481 HydrophobicContact CE3-CD1 4.47Å; W389-I481 HydrophobicContact CE3-CG1 3.64Å; W389-I481 HydrophobicContact CE3-CG2 4.43Å; W389-I481 HydrophobicContact CH2-CG1 4.01Å; W389-I481 HydrophobicContact CZ2-CG1 4.2Å; W389-I481 HydrophobicContact CZ3-CD1 4.26Å; W389-I481 HydrophobicContact CZ3-CG1 3.72Å; Y467-I481 HydrophobicContact CD1-CG2 4.46Å; L471-I481 HydrophobicContact CD2-CB 3.84Å; L471-I481 HydrophobicContact CD2-CD1 4.43Å; L471-I481 HydrophobicContact CD2-CG2 3.75Å; L471-I481 HydrophobicContact CG-CG2 4.28Å; L474-I481 HydrophobicContact CB-CD1 4.04Å; L474-I481 HydrophobicContact CD1-CD1 4.12Å; I477-I481 HydrophobicContact CG1-CD1 4.49Å; I477-I481 PolarHBondContact O-N 3.33Å; R478-I481 PolarHBondContact O-N 2.86Å; I481-T483 VanDerWaalsContact C-N 3.34Å; I481-T483 PolarHBondContact O-N 2.79Å; I481-G484 PolarHBondContact O-N 2.92Å; I481-L485 HydrophobicContact CG2-CD1 4.19Å; I481-L485 WeakPolarHBondContact O-CG 2.97Å; I481-L485 PolarHBondContact O-N 3.38Å
482L90Very high87.1Confident4 Ų444.8 Ų44.82%0.02123%0.227CC..Hα-helixtrans-58.7-46.5178.2-68171.9000111.2L471 R478 G484 L485 T486 D534 H538L471-L482 HydrophobicContact CD1-CD2 3.85Å; L471-L482 HydrophobicContact CD2-CD1 4.49Å; L471-L482 HydrophobicContact CD2-CD2 3.74Å; L471-L482 HydrophobicContact CD2-CG 3.7Å; L471-L482 HydrophobicContact CG-CD2 4.48Å; R478-L482 HydrophobicContact CG-CD1 4.33Å; R478-L482 WeakPolarHBondContact O-CG 3.25Å; R478-L482 PolarHBondContact O-N 2.92Å; L482-G484 VanDerWaalsContact C-N 3.33Å; L482-G484 PolarHBondContact O-N 3.31Å; L482-L485 PolarHBondContact O-N 3.22Å; L482-T486 VanDerWaalsContact O-CG2 3.26Å; L482-T486 WeakPolarHBondContact O-CG2 2.99Å; L482-T486 PolarHBondContact O-N 2.93Å; L482-T486 PolarHBondContact O-OG1 3.05Å; L482-T486 VanDerWaalsContact O-OG1 3.14Å; L482-D534 HydrophobicContact CD2-CB 4.16Å; L482-H538 HydrophobicContact CB-CB 4.08Å; L482-H538 HydrophobicContact CD1-CB 4.18Å
483T86.8Confident87.2Confident64 Ų6443.4 Ų43.439%0.39322%0.218SC..Hα-helixtrans-61.8-39.5178.8-53.40000112.2L479 Q480 I481 T486 Y487 H538L479-T483 WeakPolarHBondContact O-CB 3.41Å; L479-T483 PolarHBondContact O-N 2.97Å; L479-T483 PolarHBondContact O-OG1 3.3Å; Q480-T483 PolarHBondContact O-N 3.07Å; I481-T483 VanDerWaalsContact C-N 3.34Å; I481-T483 PolarHBondContact O-N 2.79Å; T483-T486 WeakPolarHBondContact CA-OG1 3.23Å; T483-T486 PolarHBondContact O-N 3.38Å; T483-T486 PolarHBondContact O-OG1 3.47Å; T483-Y487 PolarHBondContact O-N 2.94Å; T483-Y487 VanDerWaalsContact O-N 3.13Å; T483-H538 PolarHBondContact N-NE2 3.32Å; T483-H538 PolarHBondContact OG1-NE2 3.01Å
484G85.6Confident87.2Confident13 Ų1344 Ų4413%0.13422%0.22CC..Hα-helixtrans-64.9-42.1176.300000113.3I394 Q480 I481 L482 T486 Y487I394-G484 WeakPolarHBondContact CD1-O 3.33Å; Q480-G484 PolarHBondContact O-N 2.9Å; I481-G484 PolarHBondContact O-N 2.92Å; L482-G484 VanDerWaalsContact C-N 3.33Å; L482-G484 PolarHBondContact O-N 3.31Å; G484-T486 VanDerWaalsContact C-N 3.3Å; G484-T486 PolarHBondContact O-N 2.89Å; G484-Y487 WeakPolarHBondContact O-CB 3.35Å; G484-Y487 PolarHBondContact O-N 2.8Å
485L88.8Confident87.2Confident2 Ų244.1 Ų44.11%0.0122%0.221CC..Hα-helixtrans-66.1-32.2176.4-71.1175.6000112.6I394 Y467 I481 L482 L491 L531I394-L485 HydrophobicContact CD1-CD2 3.98Å; I394-L485 HydrophobicContact CG1-CD2 4.18Å; Y467-L485 HydrophobicContact CD1-CD1 3.94Å; Y467-L485 HydrophobicContact CD1-CD2 3.9Å; Y467-L485 HydrophobicContact CD1-CG 4.31Å; Y467-L485 HydrophobicContact CD2-CD2 4.27Å; Y467-L485 HydrophobicContact CE1-CD1 4.5Å; Y467-L485 HydrophobicContact CE1-CD2 3.66Å; Y467-L485 HydrophobicContact CE1-CG 4.39Å; Y467-L485 HydrophobicContact CE2-CD2 4.06Å; Y467-L485 HydrophobicContact CG-CD1 4.08Å; Y467-L485 HydrophobicContact CG-CD2 4.19Å; I481-L485 HydrophobicContact CG2-CD1 4.19Å; I481-L485 WeakPolarHBondContact O-CG 2.97Å; I481-L485 PolarHBondContact O-N 3.38Å; L482-L485 PolarHBondContact O-N 3.22Å; L485-L491 WeakPolarHBondContact O-CD2 3.42Å; L485-L531 HydrophobicContact CD1-CD1 4.04Å
486T87.1Confident87.5Confident9 Ų941.4 Ų41.46%0.05520%0.203CC..Hα-helixtrans-85.3-10.7179.9590000113.7L482 T483 G484 L488 L492 C535 L539L482-T486 VanDerWaalsContact O-CG2 3.26Å; L482-T486 WeakPolarHBondContact O-CG2 2.99Å; L482-T486 PolarHBondContact O-N 2.93Å; L482-T486 PolarHBondContact O-OG1 3.05Å; L482-T486 VanDerWaalsContact O-OG1 3.14Å; T483-T486 WeakPolarHBondContact CA-OG1 3.23Å; T483-T486 PolarHBondContact O-N 3.38Å; T483-T486 PolarHBondContact O-OG1 3.47Å; G484-T486 VanDerWaalsContact C-N 3.3Å; G484-T486 PolarHBondContact O-N 2.89Å; T486-L488 PolarHBondContact O-N 3.45Å; T486-L492 HydrophobicContact CG2-CD1 4.18Å; T486-C535 HydrophobicContact CG2-CB 4.15Å; T486-C535 VanDerWaalsContact CG2-O 3.31Å; T486-C535 WeakPolarHBondContact CG2-O 3.46Å; T486-L539 HydrophobicContact CG2-CB 3.74Å
487Y81.2Confident87.6Confident172 Ų17238.9 Ų38.968%0.67520%0.197SC*.THydrogen-bonded Turntrans-67.7-22.6-179.4-171-92.3000113.3V391 T483 G484 D489V391-Y487 HydrophobicContact CG2-CD1 3.57Å; V391-Y487 HydrophobicContact CG2-CE1 4.02Å; T483-Y487 PolarHBondContact O-N 2.94Å; T483-Y487 VanDerWaalsContact O-N 3.13Å; G484-Y487 WeakPolarHBondContact O-CB 3.35Å; G484-Y487 PolarHBondContact O-N 2.8Å; Y487-D489 PolarHBondContact O-N 3.43Å
488L81.9Confident87.6Confident14 Ų1438.5 Ų38.57%0.07320%0.195CC..SBendtrans-91.596.8173.4-78.7166.1000109.6V391 I394 R395 T486 D490 L491V391-L488 HydrophobicContact CG1-CD1 4.27Å; V391-L488 HydrophobicContact CG1-CD2 3.94Å; V391-L488 HydrophobicContact CG1-CG 4.35Å; V391-L488 HydrophobicContact CG2-CD2 4.48Å; V391-L488 HydrophobicContact CG2-CG 4.25Å; I394-L488 HydrophobicContact CB-CD1 3.79Å; I394-L488 HydrophobicContact CD1-CD1 4.4Å; I394-L488 HydrophobicContact CG2-CD1 3.46Å; I394-L488 VanDerWaalsContact CG2-CD1 3.46Å; R395-L488 HydrophobicContact CG-CD1 4.25Å; R395-L488 VanDerWaalsContact NH2-CD2 3.32Å; T486-L488 PolarHBondContact O-N 3.45Å; L488-D490 PolarHBondContact O-N 3.22Å; L488-L491 HydrophobicContact CB-CB 4.14Å; L488-L491 WeakPolarHBondContact O-CB 3.3Å; L488-L491 PolarHBondContact O-N 2.9Å
489D77.4Confident87.6Confident91 Ų9135.5 Ų35.549%0.48718%0.184SC..THydrogen-bonded Turntrans-50.6-34.7-173.5-60.3-26.8000114.1Y487 P493 S554Y487-D489 PolarHBondContact O-N 3.43Å; D489-P493 VanDerWaalsContact O-CD 3.25Å; D489-P493 WeakPolarHBondContact O-CD 3.38Å; D489-S554 PolarHBondContact O-OG 3.35Å
490D84.1Confident87.6Confident86 Ų8631.2 Ų31.246%0.4616%0.164SC..THydrogen-bonded Turntrans-79.2-18-178.4-83.56.9000114.9L402 L488 K494L402-D490 HydrophobicContact CD2-CB 4.46Å; L488-D490 PolarHBondContact O-N 3.22Å; D490-K494 HydrophobicContact CB-CD 4.23Å; D490-K494 WeakPolarHBondContact O-CB 3.19Å; D490-K494 VanDerWaalsContact O-CG 3.23Å; D490-K494 WeakPolarHBondContact O-CG 3.23Å; D490-K494 PolarHBondContact O-N 2.94Å; D490-K494 IonicContact OD2-NZ 3.15Å; D490-K494 PolarHBondContact OD2-NZ 3.02Å
491L90Very high87.5Confident4 Ų430.3 Ų30.32%0.02116%0.159CC..Hα-helixtrans-66.4-52-169177.464.7000111.6I394 F398 L402 L485 L488 K494 L495I394-L491 HydrophobicContact CG2-CD2 3.81Å; F398-L491 HydrophobicContact CB-CD1 3.81Å; F398-L491 HydrophobicContact CD1-CD1 4.17Å; F398-L491 HydrophobicContact CD2-CD1 3.8Å; F398-L491 HydrophobicContact CD2-CD2 4.35Å; F398-L491 HydrophobicContact CE2-CD1 4.32Å; F398-L491 HydrophobicContact CE2-CD2 4.35Å; F398-L491 HydrophobicContact CG-CD1 3.68Å; L402-L491 HydrophobicContact CD2-CB 4.35Å; L402-L491 HydrophobicContact CD2-CD1 4.11Å; L402-L491 HydrophobicContact CG-CD1 4.38Å; L485-L491 WeakPolarHBondContact O-CD2 3.42Å; L488-L491 HydrophobicContact CB-CB 4.14Å; L488-L491 WeakPolarHBondContact O-CB 3.3Å; L488-L491 PolarHBondContact O-N 2.9Å; L491-K494 PolarHBondContact O-N 3.47Å; L491-L495 VanDerWaalsContact O-CB 3.29Å; L491-L495 WeakPolarHBondContact O-CB 3.26Å; L491-L495 PolarHBondContact O-N 3.35Å
492L92.1Very high87.1Confident4 Ų430.9 Ų30.92%0.02116%0.162CC..Hα-helixtrans-68.3-42.2-175.6-57.9-178.9000113.4T486 K494 L495 W496 F532 C535 L539 F555T486-L492 HydrophobicContact CG2-CD1 4.18Å; L492-K494 VanDerWaalsContact C-N 3.34Å; L492-K494 PolarHBondContact O-N 3.3Å; L492-L495 PolarHBondContact O-N 3.46Å; L492-W496 PolarHBondContact O-N 3.41Å; L492-F532 HydrophobicContact CB-CE2 4.47Å; L492-C535 HydrophobicContact CD1-CB 3.99Å; L492-C535 HydrophobicContact CD2-CB 3.54Å; L492-C535 HydrophobicContact CG-CB 4.4Å; L492-L539 HydrophobicContact CD1-CB 4.29Å; L492-L539 HydrophobicContact CD1-CD2 3.85Å; L492-F555 HydrophobicContact CB-CE2 4.19Å; L492-F555 HydrophobicContact CB-CZ 3.68Å; L492-F555 HydrophobicContact CD1-CE2 4.45Å
493P91.1Very high86.3Confident6 Ų631 Ų314%0.03917%0.165CC..Hα-helixtrans-60.7-42.4174.2-2536.2000112.3D489 W496 A497 S554 F555D489-P493 VanDerWaalsContact O-CD 3.25Å; D489-P493 WeakPolarHBondContact O-CD 3.38Å; P493-W496 PolarHBondContact O-N 3.19Å; P493-A497 PolarHBondContact O-N 2.99Å; P493-S554 WeakPolarHBondContact CG-O 3.39Å; P493-F555 HydrophobicContact CB-CE1 4.44Å; P493-F555 HydrophobicContact CG-CD1 4.25Å; P493-F555 HydrophobicContact CG-CE1 4.2Å
494K90Very high85.2Confident23 Ų2331.4 Ų31.410%0.117%0.169CC..Hα-helixtrans-70-34.8177-68.3175.4178.2166.80112.4I401 L402 K404 L406 D490 L491 L492 A497 F498I401-K494 HydrophobicContact CG2-CB 3.5Å; I401-K494 VanDerWaalsContact CG2-CB 3.5Å; L402-K494 HydrophobicContact CD2-CD 4.22Å; L402-K494 PolarHBondContact O-NZ 2.87Å; K404-K494 WeakPolarHBondContact O-CE 3.45Å; L406-K494 HydrophobicContact CD1-CG 4.11Å; L406-K494 HydrophobicContact CD2-CG 4.16Å; L406-K494 HydrophobicContact CG-CG 4.1Å; D490-K494 HydrophobicContact CB-CD 4.23Å; D490-K494 WeakPolarHBondContact O-CB 3.19Å; D490-K494 VanDerWaalsContact O-CG 3.23Å; D490-K494 WeakPolarHBondContact O-CG 3.23Å; D490-K494 PolarHBondContact O-N 2.94Å; D490-K494 IonicContact OD2-NZ 3.15Å; D490-K494 PolarHBondContact OD2-NZ 3.02Å; L491-K494 PolarHBondContact O-N 3.47Å; L492-K494 VanDerWaalsContact C-N 3.34Å; L492-K494 PolarHBondContact O-N 3.3Å; K494-A497 PolarHBondContact O-N 3.22Å; K494-F498 WeakPolarHBondContact O-CB 3.25Å; K494-F498 PolarHBondContact O-N 3.37Å
495L91.4Very high84.1Confident3 Ų338.1 Ų38.12%0.01620%0.196CC..Hα-helixtrans-65.7-39.9172.7-176.162.2000111.3I401 V460 L491 L492 F498 I499 M528 F532I401-L495 HydrophobicContact CD1-CD1 3.72Å; V460-L495 HydrophobicContact CG1-CD1 4.32Å; L491-L495 VanDerWaalsContact O-CB 3.29Å; L491-L495 WeakPolarHBondContact O-CB 3.26Å; L491-L495 PolarHBondContact O-N 3.35Å; L492-L495 PolarHBondContact O-N 3.46Å; L495-F498 WeakPolarHBondContact O-CB 3.21Å; L495-F498 PolarHBondContact O-N 3.4Å; L495-I499 HydrophobicContact CG-CD1 4.44Å; L495-I499 WeakPolarHBondContact O-CG1 3.31Å; L495-I499 PolarHBondContact O-N 3.41Å; L495-M528 HydrophobicContact CD1-CG 4.19Å; L495-M528 HydrophobicContact CD1-SD 4.26Å; L495-F532 HydrophobicContact CD2-CB 4.08Å; L495-F532 HydrophobicContact CD2-CD2 4.31Å; L495-F532 HydrophobicContact CG-CD2 4.45Å
496W92Very high83Confident13 Ų1338.5 Ų38.55%0.04920%0.201CC..Hα-helixtrans-63.1-45.5173.3179.4-119.2000112.3L492 P493 F498 I499 C500 F532 F555 I563 F566L492-W496 PolarHBondContact O-N 3.41Å; P493-W496 PolarHBondContact O-N 3.19Å; W496-F498 VanDerWaalsContact C-N 3.27Å; W496-F498 PolarHBondContact O-N 3.21Å; W496-I499 HydrophobicContact CE3-CB 4.33Å; W496-I499 HydrophobicContact CE3-CD1 4.34Å; W496-I499 HydrophobicContact CE3-CG2 4.21Å; W496-I499 HydrophobicContact CZ3-CG2 4.03Å; W496-I499 WeakPolarHBondContact O-CB 3.5Å; W496-I499 PolarHBondContact O-N 3.36Å; W496-C500 VanDerWaalsContact CE2-SG 3.58Å; W496-C500 PolarHBondContact O-N 3.01Å; W496-C500 PolarHBondContact O-SG 2.76Å; W496-F532 HydrophobicContact CB-CD2 4.46Å; W496-F532 HydrophobicContact CB-CE2 3.63Å; W496-F532 HydrophobicContact CB-CZ 3.77Å; W496-F532 HydrophobicContact CD2-CE1 4.16Å; W496-F532 AromaticContact CD2-CZ 3.91Å; W496-F532 HydrophobicContact CD2-CZ 3.91Å; W496-F532 HydrophobicContact CE3-CD1 4.02Å; W496-F532 AromaticContact CE3-CE1 3.4Å; W496-F532 HydrophobicContact CE3-CE1 3.4Å; W496-F532 HydrophobicContact CE3-CE2 4.33Å; W496-F532 AromaticContact CE3-CZ 3.59Å; W496-F532 HydrophobicContact CE3-CZ 3.59Å; W496-F532 HydrophobicContact CG-CE2 4.36Å; W496-F532 AromaticContact CG-CZ 3.99Å; W496-F532 HydrophobicContact CG-CZ 3.99Å; W496-F532 HydrophobicContact CZ3-CD1 4.41Å; W496-F532 AromaticContact CZ3-CE1 3.89Å; W496-F532 HydrophobicContact CZ3-CE1 3.89Å; W496-F532 HydrophobicContact CZ3-CZ 4.47Å; W496-F555 HydrophobicContact CB-CE1 4.48Å; W496-I563 HydrophobicContact CD2-CD1 4.24Å; W496-I563 HydrophobicContact CD2-CG1 3.68Å; W496-I563 HydrophobicContact CE3-CG1 4.24Å; W496-I563 HydrophobicContact CG-CD1 4.19Å; W496-I563 HydrophobicContact CG-CG1 4.11Å; W496-I563 HydrophobicContact CH2-CG1 4.14Å; W496-I563 HydrophobicContact CZ2-CB 4.25Å; W496-I563 HydrophobicContact CZ2-CG1 3.56Å; W496-I563 HydrophobicContact CZ3-CG1 4.45Å; W496-F566 HydrophobicContact CH2-CB 3.84Å; W496-F566 HydrophobicContact CH2-CD1 4.1Å; W496-F566 HydrophobicContact CH2-CD2 4.09Å; W496-F566 AromaticContact CH2-CG 3.77Å; W496-F566 HydrophobicContact CH2-CG 3.77Å; W496-F566 HydrophobicContact CZ2-CB 4.45Å; W496-F566 HydrophobicContact CZ3-CD1 4.45Å
497A88.6Confident82.5Confident37 Ų3738.1 Ų38.131%0.30620%0.198SC..Hα-helixtrans-58.3-42.1174.500000111.2P493 K494 C500 E501P493-A497 PolarHBondContact O-N 2.99Å; K494-A497 PolarHBondContact O-N 3.22Å; A497-C500 WeakPolarHBondContact O-CB 3.39Å; A497-C500 PolarHBondContact O-N 2.74Å; A497-E501 WeakPolarHBondContact O-CG 3.27Å; A497-E501 PolarHBondContact O-N 3Å; A497-E501 VanDerWaalsContact O-N 3.1Å
498F88.7Confident82.7Confident2 Ų231.4 Ų31.41%0.00917%0.174CC..Hα-helixtrans-61-45.8174.7-175.5-90.1000112.6I401 K450 V457 V460 K494 L495 W496 C500 E501 L502 M528I401-F498 HydrophobicContact CD1-CG 4.39Å; I401-F498 HydrophobicContact CG1-CD2 4.28Å; K450-F498 HydrophobicContact CD-CE2 4.21Å; V457-F498 HydrophobicContact CB-CZ 4.38Å; V457-F498 HydrophobicContact CG2-CE1 4.42Å; V457-F498 HydrophobicContact CG2-CZ 3.78Å; V460-F498 HydrophobicContact CB-CE1 4.07Å; V460-F498 HydrophobicContact CB-CZ 4Å; V460-F498 HydrophobicContact CG1-CD1 4.17Å; V460-F498 HydrophobicContact CG1-CE1 3.76Å; V460-F498 HydrophobicContact CG1-CZ 4.16Å; V460-F498 HydrophobicContact CG2-CE1 4.38Å; V460-F498 HydrophobicContact CG2-CE2 4.22Å; V460-F498 HydrophobicContact CG2-CZ 3.93Å; K494-F498 WeakPolarHBondContact O-CB 3.25Å; K494-F498 PolarHBondContact O-N 3.37Å; L495-F498 WeakPolarHBondContact O-CB 3.21Å; L495-F498 PolarHBondContact O-N 3.4Å; W496-F498 VanDerWaalsContact C-N 3.27Å; W496-F498 PolarHBondContact O-N 3.21Å; F498-C500 PolarHBondContact O-N 3.37Å; F498-E501 WeakPolarHBondContact O-CB 3.4Å; F498-E501 PolarHBondContact O-N 3.42Å; F498-E501 VanDerWaalsContact O-N 3.13Å; F498-L502 HydrophobicContact CE1-CD2 4.43Å; F498-M528 HydrophobicContact CD1-SD 3.96Å; F498-M528 HydrophobicContact CE1-SD 3.98Å
499I89.2Confident82.8Confident0 Ų037 Ų370%020%0.198CC..Hα-helixtrans-56.6-40.5174.1-71.8168.8000110.5L495 W496 E501 L502 F511 M528 F532L495-I499 HydrophobicContact CG-CD1 4.44Å; L495-I499 WeakPolarHBondContact O-CG1 3.31Å; L495-I499 PolarHBondContact O-N 3.41Å; W496-I499 HydrophobicContact CE3-CB 4.33Å; W496-I499 HydrophobicContact CE3-CD1 4.34Å; W496-I499 HydrophobicContact CE3-CG2 4.21Å; W496-I499 HydrophobicContact CZ3-CG2 4.03Å; W496-I499 WeakPolarHBondContact O-CB 3.5Å; W496-I499 PolarHBondContact O-N 3.36Å; I499-E501 VanDerWaalsContact C-N 3.35Å; I499-E501 PolarHBondContact O-N 3.49Å; I499-L502 PolarHBondContact O-N 2.98Å; I499-F511 HydrophobicContact CG2-CE2 3.67Å; I499-F511 HydrophobicContact CG2-CZ 3.98Å; I499-M528 HydrophobicContact CD1-CG 4.45Å; I499-M528 HydrophobicContact CG1-CE 3.8Å; I499-M528 HydrophobicContact CG1-CG 4.39Å; I499-M528 HydrophobicContact CG1-SD 4.09Å; I499-F532 HydrophobicContact CD1-CB 3.87Å; I499-F532 HydrophobicContact CD1-CD1 4.24Å; I499-F532 HydrophobicContact CD1-CD2 4.49Å; I499-F532 HydrophobicContact CD1-CG 3.93Å
500C86.4Confident83.3Confident30 Ų3034.2 Ų34.220%0.20318%0.183CC..Hα-helixtrans-69.1-27.9179.2-67.90000114.2W496 A497 F498 L502W496-C500 VanDerWaalsContact CE2-SG 3.58Å; W496-C500 PolarHBondContact O-N 3.01Å; W496-C500 PolarHBondContact O-SG 2.76Å; A497-C500 WeakPolarHBondContact O-CB 3.39Å; A497-C500 PolarHBondContact O-N 2.74Å; F498-C500 PolarHBondContact O-N 3.37Å; C500-L502 VanDerWaalsContact C-N 3.26Å; C500-L502 PolarHBondContact O-N 3.49Å
501E84.6Confident83.6Confident59 Ų5930.1 Ų30.128%0.27616%0.161SC..Hα-helixtrans-71.2-18.4177.7-72.4175.8-177.100113.4K404 G449 K450 A497 F498 I499 G503K404-E501 IonicContact NZ-OE1 3.34Å; K404-E501 PolarHBondContact NZ-OE1 3.1Å; K404-E501 IonicContact NZ-OE2 3.4Å; K404-E501 PolarHBondContact NZ-OE2 3.34Å; G449-E501 PolarHBondContact N-O 2.86Å; K450-E501 HydrophobicContact CD-CB 4.46Å; K450-E501 VanDerWaalsContact CD-OE2 3.3Å; K450-E501 WeakPolarHBondContact CD-OE2 3.44Å; K450-E501 WeakPolarHBondContact CE-OE2 3.22Å; K450-E501 HydrophobicContact CG-CB 4.48Å; K450-E501 PolarHBondContact N-O 3.3Å; K450-E501 IonicContact NZ-OE2 2.9Å; K450-E501 PolarHBondContact NZ-OE2 3.27Å; A497-E501 WeakPolarHBondContact O-CG 3.27Å; A497-E501 PolarHBondContact O-N 3Å; A497-E501 VanDerWaalsContact O-N 3.1Å; F498-E501 WeakPolarHBondContact O-CB 3.4Å; F498-E501 PolarHBondContact O-N 3.42Å; F498-E501 VanDerWaalsContact O-N 3.13Å; I499-E501 VanDerWaalsContact C-N 3.35Å; I499-E501 PolarHBondContact O-N 3.49Å; E501-G503 VanDerWaalsContact C-N 3.29Å; E501-G503 PolarHBondContact O-N 3.42Å
502L82.2Confident83.5Confident12 Ų1231.7 Ų31.76%0.06317%0.169CC..THydrogen-bonded Turntrans-74.4-13-176.6-62.4179.3000114.1K450 V457 F498 I499 C500 L510 F511 L525 M528K450-L502 HydrophobicContact CB-CD2 4.38Å; V457-L502 HydrophobicContact CG1-CD2 4.13Å; V457-L502 HydrophobicContact CG2-CD2 3.7Å; F498-L502 HydrophobicContact CE1-CD2 4.43Å; I499-L502 PolarHBondContact O-N 2.98Å; C500-L502 VanDerWaalsContact C-N 3.26Å; C500-L502 PolarHBondContact O-N 3.49Å; L502-L510 HydrophobicContact CB-CD2 3.89Å; L502-F511 HydrophobicContact CD1-CZ 4.35Å; L502-L525 HydrophobicContact CD1-CD2 4.03Å; L502-M528 HydrophobicContact CD1-CE 3.6Å
503G72.8Confident83.2Confident7 Ų735.8 Ų35.87%0.07219%0.188CC..SBendtrans178.1168.5177.200000115.5E501 G506 G507E501-G503 VanDerWaalsContact C-N 3.29Å; E501-G503 PolarHBondContact O-N 3.42Å; G503-G506 PolarHBondContact O-N 3.37Å; G503-G507 PolarHBondContact O-N 2.93Å
504P64.3Low83.1Confident73 Ų7335.9 Ų35.947%0.47419%0.189SC..THydrogen-bonded Turntrans-59.4150.8176.827-34.2000111.4G506 G507P504-G506 VanDerWaalsContact C-N 3.31Å; P504-G506 PolarHBondContact O-N 2.9Å; P504-G507 PolarHBondContact O-N 2.89Å
505H63.3Low82.8Confident154 Ų15436.1 Ų36.171%0.71319%0.191SC*.THydrogen-bonded Turntrans56.937.9-175-54.9-74.7000114.3G507 L508H505-G507 VanDerWaalsContact C-N 3.33Å; H505-G507 PolarHBondContact O-N 2.78Å; H505-L508 PolarHBondContact O-N 2.8Å
506G65.3Low82.4Confident10 Ų1041.9 Ų41.910%0.10322%0.222CC..THydrogen-bonded Turntrans70.628.8178.200000113.2G503 P504 L508 F566G503-G506 PolarHBondContact O-N 3.37Å; P504-G506 VanDerWaalsContact C-N 3.31Å; P504-G506 PolarHBondContact O-N 2.9Å; G506-L508 VanDerWaalsContact C-N 3.27Å; G506-L508 PolarHBondContact O-N 2.8Å; G506-F566 WeakPolarHBondContact O-CE2 3.38Å
507G75.9Confident81.9Confident1 Ų145.5 Ų45.51%0.0124%0.242CC..THydrogen-bonded Turntrans75.71.9-177.200000115.5G503 P504 H505 K509 L510 F511G503-G507 PolarHBondContact O-N 2.93Å; P504-G507 PolarHBondContact O-N 2.89Å; H505-G507 VanDerWaalsContact C-N 3.33Å; H505-G507 PolarHBondContact O-N 2.78Å; G507-K509 VanDerWaalsContact C-N 3.27Å; G507-K509 PolarHBondContact O-N 3.19Å; G507-K509 VanDerWaalsContact O-N 3.14Å; G507-L510 WeakPolarHBondContact O-CA 3.2Å; G507-L510 VanDerWaalsContact O-CB 3.29Å; G507-L510 WeakPolarHBondContact O-CB 3.08Å; G507-L510 PolarHBondContact O-N 3.47Å; G507-F511 VanDerWaalsContact O-CD2 3.22Å; G507-F511 WeakPolarHBondContact O-CD2 3.01Å; G507-F511 PolarHBondContact O-N 3.06Å; G507-F511 VanDerWaalsContact O-N 3.08Å
508L85.1Confident81.4Confident30 Ų3050.3 Ų50.316%0.15726%0.263CS..Hα-helixtrans-52.1-44.2-174.3177.863.9000113.2H505 G506 L510 F511 L512 F566 F570H505-L508 PolarHBondContact O-N 2.8Å; G506-L508 VanDerWaalsContact C-N 3.27Å; G506-L508 PolarHBondContact O-N 2.8Å; L508-L510 VanDerWaalsContact C-N 3.33Å; L508-L510 PolarHBondContact O-N 2.94Å; L508-F511 PolarHBondContact O-N 3.27Å; L508-L512 HydrophobicContact CD1-CD1 4.09Å; L508-L512 HydrophobicContact CD1-CG 4.21Å; L508-L512 HydrophobicContact CG-CD1 4.01Å; L508-L512 WeakPolarHBondContact O-CB 3.27Å; L508-L512 VanDerWaalsContact O-CG 3.27Å; L508-L512 WeakPolarHBondContact O-CG 3.28Å; L508-L512 PolarHBondContact O-N 3.37Å; L508-F566 VanDerWaalsContact CA-CE2 3.44Å; L508-F566 HydrophobicContact CB-CD2 3.8Å; L508-F566 HydrophobicContact CB-CE2 3.77Å; L508-F566 HydrophobicContact CD1-CD2 4.06Å; L508-F566 HydrophobicContact CD1-CE2 3.99Å; L508-F566 HydrophobicContact CD1-CG 4.48Å; L508-F566 HydrophobicContact CD1-CZ 4.31Å; L508-F566 HydrophobicContact CG-CD2 4.48Å; L508-F570 HydrophobicContact CD1-CB 3.88Å; L508-F570 HydrophobicContact CD1-CD2 3.91Å; L508-F570 HydrophobicContact CD1-CG 4.41Å
509K84.8Confident81.3Confident132 Ų13253 Ų5357%0.57428%0.279SS*.Hα-helixtrans-61.9-42.3178.4-173.3180174.2-169.70111.7G507 L512 E513G507-K509 VanDerWaalsContact C-N 3.27Å; G507-K509 PolarHBondContact O-N 3.19Å; G507-K509 VanDerWaalsContact O-N 3.14Å; K509-L512 PolarHBondContact O-N 3.34Å; K509-E513 WeakPolarHBondContact CE-OE1 3.49Å; K509-E513 IonicContact NZ-OE1 3.95Å; K509-E513 WeakPolarHBondContact O-CG 3.31Å; K509-E513 PolarHBondContact O-N 3.22Å
510L87.3Confident81Confident33 Ų3358.4 Ų58.417%0.17330%0.304CS..Hα-helixtrans-61-52.1178.1175.569000110.9V452 L502 G507 L508 L512 E513 C514 L525V452-L510 HydrophobicContact CG2-CD1 4.1Å; V452-L510 HydrophobicContact CG2-CD2 3.83Å; L502-L510 HydrophobicContact CB-CD2 3.89Å; G507-L510 WeakPolarHBondContact O-CA 3.2Å; G507-L510 VanDerWaalsContact O-CB 3.29Å; G507-L510 WeakPolarHBondContact O-CB 3.08Å; G507-L510 PolarHBondContact O-N 3.47Å; L508-L510 VanDerWaalsContact C-N 3.33Å; L508-L510 PolarHBondContact O-N 2.94Å; L510-L512 VanDerWaalsContact C-N 3.29Å; L510-L512 PolarHBondContact O-N 2.72Å; L510-E513 WeakPolarHBondContact O-CB 3.47Å; L510-E513 PolarHBondContact O-N 3.25Å; L510-E513 VanDerWaalsContact O-N 3.07Å; L510-C514 PolarHBondContact O-N 2.96Å; L510-C514 PolarHBondContact O-SG 3.06Å; L510-L525 HydrophobicContact CD2-CD1 4.39Å
511F89.7Confident80.9Confident0 Ų062 Ų620%032%0.318CS..Hα-helixtrans-65.3-32.3-178.9-68.2-76.9000112.7I499 L502 G507 L508 C514 L515 L525 L526 M528 L529 F566 F570I499-F511 HydrophobicContact CG2-CE2 3.67Å; I499-F511 HydrophobicContact CG2-CZ 3.98Å; L502-F511 HydrophobicContact CD1-CZ 4.35Å; G507-F511 VanDerWaalsContact O-CD2 3.22Å; G507-F511 WeakPolarHBondContact O-CD2 3.01Å; G507-F511 PolarHBondContact O-N 3.06Å; G507-F511 VanDerWaalsContact O-N 3.08Å; L508-F511 PolarHBondContact O-N 3.27Å; F511-C514 WeakPolarHBondContact O-CB 3.44Å; F511-C514 PolarHBondContact O-N 3.22Å; F511-L515 PolarHBondContact O-N 3.17Å; F511-L525 HydrophobicContact CE1-CB 4.05Å; F511-L525 WeakPolarHBondContact CE1-O 3.36Å; F511-L526 HydrophobicContact CD1-CD2 4.23Å; F511-M528 HydrophobicContact CE1-CE 4.3Å; F511-M528 HydrophobicContact CZ-CE 3.89Å; F511-L529 HydrophobicContact CB-CD2 4.41Å; F511-L529 HydrophobicContact CD1-CB 4.24Å; F511-L529 HydrophobicContact CD1-CD2 4.08Å; F511-L529 HydrophobicContact CE1-CB 4Å; F511-L529 HydrophobicContact CG-CD2 4.17Å; F511-F566 HydrophobicContact CD2-CE2 4.17Å; F511-F566 AromaticContact CD2-CZ 3.86Å; F511-F566 HydrophobicContact CD2-CZ 3.86Å; F511-F566 HydrophobicContact CG-CZ 4.41Å; F511-F570 HydrophobicContact CB-CD2 4.31Å; F511-F570 HydrophobicContact CB-CE2 3.6Å; F511-F570 HydrophobicContact CB-CZ 4.37Å
512L88.2Confident81Confident36 Ų3659.6 Ų59.619%0.18831%0.308CS..Hα-helixtrans-68.6-34.1172.7-71174.5000112.4L508 K509 L510 L515 N516 F570 K573L508-L512 HydrophobicContact CD1-CD1 4.09Å; L508-L512 HydrophobicContact CD1-CG 4.21Å; L508-L512 HydrophobicContact CG-CD1 4.01Å; L508-L512 WeakPolarHBondContact O-CB 3.27Å; L508-L512 VanDerWaalsContact O-CG 3.27Å; L508-L512 WeakPolarHBondContact O-CG 3.28Å; L508-L512 PolarHBondContact O-N 3.37Å; K509-L512 PolarHBondContact O-N 3.34Å; L510-L512 VanDerWaalsContact C-N 3.29Å; L510-L512 PolarHBondContact O-N 2.72Å; L512-L515 HydrophobicContact CD2-CD1 4.03Å; L512-L515 PolarHBondContact O-N 2.68Å; L512-N516 PolarHBondContact O-ND2 3.06Å; L512-F570 HydrophobicContact CD2-CD2 3.66Å; L512-F570 HydrophobicContact CD2-CE2 3.91Å; L512-F570 HydrophobicContact CD2-CG 4.41Å; L512-F570 HydrophobicContact CG-CD2 4.05Å; L512-F570 HydrophobicContact CG-CE2 4.3Å; L512-K573 HydrophobicContact CD1-CB 4.41Å; L512-K573 HydrophobicContact CD1-CG 4.14Å; L512-K573 HydrophobicContact CD2-CB 3.66Å; L512-K573 HydrophobicContact CD2-CG 4.3Å
513E86.4Confident81.3Confident90 Ų9061.9 Ų61.942%0.42132%0.318SS..Hα-helixtrans-67.9-40.4171.8-73.7170.6-176.500111K509 L510 L515 N516 N517K509-E513 WeakPolarHBondContact CE-OE1 3.49Å; K509-E513 IonicContact NZ-OE1 3.95Å; K509-E513 WeakPolarHBondContact O-CG 3.31Å; K509-E513 PolarHBondContact O-N 3.22Å; L510-E513 WeakPolarHBondContact O-CB 3.47Å; L510-E513 PolarHBondContact O-N 3.25Å; L510-E513 VanDerWaalsContact O-N 3.07Å; E513-L515 PolarHBondContact O-N 3.03Å; E513-N516 PolarHBondContact O-N 3.31Å; E513-N517 PolarHBondContact O-N 2.86Å; E513-N517 PolarHBondContact O-ND2 3.46Å
514C88Confident82.1Confident8 Ų863.9 Ų63.95%0.05433%0.325CS..Hα-helixtrans-59-31174.6-66.60000113.2L510 F511 N516 N517 L526L510-C514 PolarHBondContact O-N 2.96Å; L510-C514 PolarHBondContact O-SG 3.06Å; F511-C514 WeakPolarHBondContact O-CB 3.44Å; F511-C514 PolarHBondContact O-N 3.22Å; C514-N516 PolarHBondContact O-N 2.84Å; C514-N517 PolarHBondContact O-N 3.45Å; C514-L526 HydrophobicContact CB-CD1 4.31Å; C514-L526 HydrophobicContact CB-CD2 4.16Å; C514-L526 HydrophobicContact CB-CG 4.1Å
515L84.9Confident83.4Confident29 Ų2960.7 Ų60.715%0.15230%0.304CS..THydrogen-bonded Turntrans-64.8-27175.7-72.2174.9000113.6F511 L512 E513 L526 F570 M574 I579 L590F511-L515 PolarHBondContact O-N 3.17Å; L512-L515 HydrophobicContact CD2-CD1 4.03Å; L512-L515 PolarHBondContact O-N 2.68Å; E513-L515 PolarHBondContact O-N 3.03Å; L515-L526 HydrophobicContact CD2-CD1 4.33Å; L515-L526 HydrophobicContact CD2-CD2 4.31Å; L515-F570 HydrophobicContact CD1-CE1 4.27Å; L515-F570 HydrophobicContact CD1-CE2 3.92Å; L515-F570 HydrophobicContact CD1-CZ 3.66Å; L515-F570 HydrophobicContact CD2-CZ 4.12Å; L515-F570 HydrophobicContact CG-CE2 4.36Å; L515-F570 HydrophobicContact CG-CZ 3.95Å; L515-M574 HydrophobicContact CD1-CG 3.61Å; L515-M574 HydrophobicContact CD1-SD 4.41Å; L515-M574 HydrophobicContact CD2-CE 4.17Å; L515-I579 HydrophobicContact CB-CD1 4.02Å; L515-I579 HydrophobicContact CD1-CD1 3.91Å; L515-L590 HydrophobicContact CD2-CD2 3.5Å
516N81.8Confident84.8Confident123 Ų12354.5 Ų54.566%0.65828%0.276SS*.THydrogen-bonded Turntrans-94.4-10.5-179.2-65.5-59.1000112.7L512 E513 C514L512-N516 PolarHBondContact O-ND2 3.06Å; E513-N516 PolarHBondContact O-N 3.31Å; C514-N516 PolarHBondContact O-N 2.84Å
517N82.6Confident86.1Confident89 Ų8954.7 Ų54.748%0.47628%0.277SS..  trans-113.1115-175.8-66.8-20000110.2E513 C514 T519 S522E513-N517 PolarHBondContact O-N 2.86Å; E513-N517 PolarHBondContact O-ND2 3.46Å; C514-N517 PolarHBondContact O-N 3.45Å; N517-T519 PolarHBondContact O-N 3.21Å; N517-T519 VanDerWaalsContact O-N 3.09Å; N517-S522 WeakPolarHBondContact O-CB 3.29Å; N517-S522 PolarHBondContact O-OG 2.84Å
518D78.6Confident87Confident138 Ų13854.6 Ų54.674%0.73828%0.276SS*.  trans-87.853.1178.1-16824.7000111.9K523D518-K523 WeakPolarHBondContact OD1-CE 3.29Å; D518-K523 IonicContact OD1-NZ 2.92Å; D518-K523 PolarHBondContact OD1-NZ 2.96Å
519T86.3Confident87.5Confident59 Ų5953.2 Ų53.236%0.36227%0.269SS..  trans-98.5153.8174.279.10000111N517 E521 S522 K523N517-T519 PolarHBondContact O-N 3.21Å; N517-T519 VanDerWaalsContact O-N 3.09Å; T519-E521 VanDerWaalsContact C-N 3.26Å; T519-E521 WeakPolarHBondContact CB-OE2 3.41Å; T519-E521 PolarHBondContact O-N 2.96Å; T519-E521 PolarHBondContact OG1-OE2 3.15Å; T519-S522 WeakPolarHBondContact O-CB 3.48Å; T519-S522 PolarHBondContact O-N 2.79Å; T519-S522 PolarHBondContact OG1-N 2.91Å; T519-S522 PolarHBondContact OG1-OG 3.33Å; T519-K523 PolarHBondContact O-N 2.77Å
520E83Confident88Confident113 Ų11347.6 Ų47.653%0.52824%0.244SC..Hα-helixtrans-61.3-35.5178.4-69.1-58.9123.600111.9S522 K523 Q524E520-S522 VanDerWaalsContact C-N 3.3Å; E520-S522 PolarHBondContact O-N 2.93Å; E520-K523 PolarHBondContact O-N 3.19Å; E520-K523 IonicContact OE1-NZ 2.66Å; E520-K523 PolarHBondContact OE1-NZ 3.47Å; E520-Q524 WeakPolarHBondContact O-CB 3.34Å; E520-Q524 VanDerWaalsContact O-CG 3.26Å; E520-Q524 WeakPolarHBondContact O-CG 3.3Å; E520-Q524 PolarHBondContact O-N 3.35Å
521E84.8Confident88.4Confident106 Ų10646.2 Ų46.250%0.49524%0.237SC..Hα-helixtrans-63.9-37.3174.5-54.580.9-175.400111.6T519 Q524 L525T519-E521 VanDerWaalsContact C-N 3.26Å; T519-E521 WeakPolarHBondContact CB-OE2 3.41Å; T519-E521 PolarHBondContact O-N 2.96Å; T519-E521 PolarHBondContact OG1-OE2 3.15Å; E521-Q524 PolarHBondContact O-N 2.82Å; E521-L525 WeakPolarHBondContact O-CG 3.28Å; E521-L525 PolarHBondContact O-N 3.1Å
522S86.4Confident88.7Confident9 Ų946.2 Ų46.26%0.06324%0.237CC..Hα-helixtrans-66.6-42.5177.5-59.10000110.8N517 T519 E520 L525 L526N517-S522 WeakPolarHBondContact O-CB 3.29Å; N517-S522 PolarHBondContact O-OG 2.84Å; T519-S522 WeakPolarHBondContact O-CB 3.48Å; T519-S522 PolarHBondContact O-N 2.79Å; T519-S522 PolarHBondContact OG1-N 2.91Å; T519-S522 PolarHBondContact OG1-OG 3.33Å; E520-S522 VanDerWaalsContact C-N 3.3Å; E520-S522 PolarHBondContact O-N 2.93Å; S522-L525 PolarHBondContact O-N 2.86Å; S522-L526 VanDerWaalsContact O-CG 3.25Å; S522-L526 WeakPolarHBondContact O-CG 3.4Å; S522-L526 PolarHBondContact O-N 3.29Å
523K88Confident89Confident59 Ų5944.5 Ų44.526%0.25723%0.228SC..Hα-helixtrans-62.6-43.1175.1-65.8177-169.6162.90112.2D518 T519 E520 L525 L526 A527D518-K523 WeakPolarHBondContact OD1-CE 3.29Å; D518-K523 IonicContact OD1-NZ 2.92Å; D518-K523 PolarHBondContact OD1-NZ 2.96Å; T519-K523 PolarHBondContact O-N 2.77Å; E520-K523 PolarHBondContact O-N 3.19Å; E520-K523 IonicContact OE1-NZ 2.66Å; E520-K523 PolarHBondContact OE1-NZ 3.47Å; K523-L525 PolarHBondContact O-N 2.96Å; K523-L526 PolarHBondContact O-N 2.87Å; K523-A527 WeakPolarHBondContact O-CB 3.25Å; K523-A527 PolarHBondContact O-N 2.89Å
524Q89.9Confident89.4Confident50 Ų5040.4 Ų40.423%0.23421%0.209CC..Hα-helixtrans-60.1-44.2177.3-77.2177.4-6.400112.5C461 N462 V465 E520 E521 A527 M528C461-Q524 HydrophobicContact CB-CB 3.97Å; N462-Q524 PolarHBondContact OD1-NE2 3.13Å; V465-Q524 HydrophobicContact CG2-CB 4.43Å; V465-Q524 HydrophobicContact CG2-CG 4.07Å; E520-Q524 WeakPolarHBondContact O-CB 3.34Å; E520-Q524 VanDerWaalsContact O-CG 3.26Å; E520-Q524 WeakPolarHBondContact O-CG 3.3Å; E520-Q524 PolarHBondContact O-N 3.35Å; E521-Q524 PolarHBondContact O-N 2.82Å; Q524-A527 PolarHBondContact O-N 3.48Å; Q524-M528 PolarHBondContact O-N 3.05Å
525L90.7Very high89.6Confident6 Ų640.1 Ų40.13%0.03121%0.208CC..Hα-helixtrans-64-45.5174.9-72.8168.7000111.6V452 V457 L502 L510 F511 E521 S522 K523 A527 M528 L529V452-L525 HydrophobicContact CG1-CD1 3.78Å; V452-L525 HydrophobicContact CG1-CD2 4.48Å; V457-L525 HydrophobicContact CG1-CD2 4.42Å; L502-L525 HydrophobicContact CD1-CD2 4.03Å; L510-L525 HydrophobicContact CD2-CD1 4.39Å; F511-L525 HydrophobicContact CE1-CB 4.05Å; F511-L525 WeakPolarHBondContact CE1-O 3.36Å; E521-L525 WeakPolarHBondContact O-CG 3.28Å; E521-L525 PolarHBondContact O-N 3.1Å; S522-L525 PolarHBondContact O-N 2.86Å; K523-L525 PolarHBondContact O-N 2.96Å; L525-A527 VanDerWaalsContact C-N 3.3Å; L525-A527 PolarHBondContact O-N 3.36Å; L525-M528 HydrophobicContact CD2-CE 4.18Å; L525-M528 WeakPolarHBondContact O-CB 3.48Å; L525-M528 PolarHBondContact O-N 3.21Å; L525-L529 PolarHBondContact O-N 3.49Å; L525-L529 VanDerWaalsContact O-N 3.15Å
526L92.9Very high90Very high23 Ų2338.8 Ų38.812%0.1220%0.2CC..Hα-helixtrans-62.6-37.4178.2-67.2173.1000111.7F511 C514 L515 S522 K523 M528 L529 M530 F570 L590F511-L526 HydrophobicContact CD1-CD2 4.23Å; C514-L526 HydrophobicContact CB-CD1 4.31Å; C514-L526 HydrophobicContact CB-CD2 4.16Å; C514-L526 HydrophobicContact CB-CG 4.1Å; L515-L526 HydrophobicContact CD2-CD1 4.33Å; L515-L526 HydrophobicContact CD2-CD2 4.31Å; S522-L526 VanDerWaalsContact O-CG 3.25Å; S522-L526 WeakPolarHBondContact O-CG 3.4Å; S522-L526 PolarHBondContact O-N 3.29Å; K523-L526 PolarHBondContact O-N 2.87Å; L526-M528 VanDerWaalsContact C-N 3.33Å; L526-M528 PolarHBondContact O-N 2.78Å; L526-L529 PolarHBondContact O-N 3.2Å; L526-M530 VanDerWaalsContact O-CG 3.28Å; L526-M530 WeakPolarHBondContact O-CG 3.46Å; L526-M530 PolarHBondContact O-N 2.64Å; L526-F570 HydrophobicContact CD2-CZ 4.39Å; L526-L590 HydrophobicContact CB-CD2 4.41Å; L526-L590 HydrophobicContact CD1-CD2 4.18Å; L526-L590 HydrophobicContact CD2-CD1 4.48Å; L526-L590 HydrophobicContact CD2-CD2 3.78Å; L526-L590 HydrophobicContact CG-CD2 4.34Å
527A93.3Very high90.5Very high14 Ų1435 Ų3512%0.11618%0.177CC..Hα-helixtrans-62.5-37174.600000112.7V465 Q468 K523 Q524 L525 M530 L531V465-A527 HydrophobicContact CG2-CB 3.79Å; Q468-A527 HydrophobicContact CG-CB 4.29Å; Q468-A527 WeakPolarHBondContact CG-O 3.39Å; K523-A527 WeakPolarHBondContact O-CB 3.25Å; K523-A527 PolarHBondContact O-N 2.89Å; Q524-A527 PolarHBondContact O-N 3.48Å; L525-A527 VanDerWaalsContact C-N 3.3Å; L525-A527 PolarHBondContact O-N 3.36Å; A527-M530 PolarHBondContact O-N 3.02Å; A527-L531 WeakPolarHBondContact O-CB 3.34Å; A527-L531 PolarHBondContact O-N 3.41Å
528M94.6Very high90.7Very high0 Ų031.9 Ų31.90%016%0.16CC..Hα-helixtrans-62.4-45.9172.1177.8-175.860.600111.6V460 C464 L495 F498 I499 L502 F511 Q524 L525 L526 M530 L531 F532V460-M528 HydrophobicContact CG1-SD 4Å; C464-M528 HydrophobicContact CB-CB 3.91Å; C464-M528 HydrophobicContact CB-CG 4.37Å; L495-M528 HydrophobicContact CD1-CG 4.19Å; L495-M528 HydrophobicContact CD1-SD 4.26Å; F498-M528 HydrophobicContact CD1-SD 3.96Å; F498-M528 HydrophobicContact CE1-SD 3.98Å; I499-M528 HydrophobicContact CD1-CG 4.45Å; I499-M528 HydrophobicContact CG1-CE 3.8Å; I499-M528 HydrophobicContact CG1-CG 4.39Å; I499-M528 HydrophobicContact CG1-SD 4.09Å; L502-M528 HydrophobicContact CD1-CE 3.6Å; F511-M528 HydrophobicContact CE1-CE 4.3Å; F511-M528 HydrophobicContact CZ-CE 3.89Å; Q524-M528 PolarHBondContact O-N 3.05Å; L525-M528 HydrophobicContact CD2-CE 4.18Å; L525-M528 WeakPolarHBondContact O-CB 3.48Å; L525-M528 PolarHBondContact O-N 3.21Å; L526-M528 VanDerWaalsContact C-N 3.33Å; L526-M528 PolarHBondContact O-N 2.78Å; M528-M530 VanDerWaalsContact C-N 3.34Å; M528-M530 PolarHBondContact O-N 3.39Å; M528-L531 PolarHBondContact O-N 3.22Å; M528-F532 PolarHBondContact O-N 3.39Å
529L95.1Very high91.1Very high0 Ų025.9 Ų25.90%013%0.127CC..Hα-helixtrans-62.5-41.5176.117961.3000111.6F511 L525 L526 F532 C533 F566 F570 L590 V594F511-L529 HydrophobicContact CB-CD2 4.41Å; F511-L529 HydrophobicContact CD1-CB 4.24Å; F511-L529 HydrophobicContact CD1-CD2 4.08Å; F511-L529 HydrophobicContact CE1-CB 4Å; F511-L529 HydrophobicContact CG-CD2 4.17Å; L525-L529 PolarHBondContact O-N 3.49Å; L525-L529 VanDerWaalsContact O-N 3.15Å; L526-L529 PolarHBondContact O-N 3.2Å; L529-F532 PolarHBondContact O-N 2.79Å; L529-C533 PolarHBondContact O-N 3.43Å; L529-C533 PolarHBondContact O-SG 2.9Å; L529-F566 HydrophobicContact CD1-CE1 3.81Å; L529-F566 HydrophobicContact CD1-CZ 4.2Å; L529-F566 HydrophobicContact CD2-CE1 4.07Å; L529-F566 HydrophobicContact CD2-CZ 4.19Å; L529-F570 HydrophobicContact CD2-CE1 4.28Å; L529-F570 HydrophobicContact CD2-CE2 4.38Å; L529-F570 HydrophobicContact CD2-CZ 4.08Å; L529-L590 HydrophobicContact CD2-CD1 4.45Å; L529-V594 HydrophobicContact CD2-CG2 4.3Å; L529-V594 HydrophobicContact CG-CG2 4.34Å
530M95.3Very high91.1Very high14 Ų1423.1 Ų23.17%0.06911%0.11CC..Hα-helixtrans-59.4-46.7175.3-72.4173.562.900111.8Q468 L526 A527 M528 C533 D534 E589 L590Q468-M530 HydrophobicContact CG-CB 4.47Å; L526-M530 VanDerWaalsContact O-CG 3.28Å; L526-M530 WeakPolarHBondContact O-CG 3.46Å; L526-M530 PolarHBondContact O-N 2.64Å; A527-M530 PolarHBondContact O-N 3.02Å; M528-M530 VanDerWaalsContact C-N 3.34Å; M528-M530 PolarHBondContact O-N 3.39Å; M530-C533 PolarHBondContact O-N 2.96Å; M530-D534 PolarHBondContact O-N 3.46Å; M530-E589 HydrophobicContact CE-CB 3.64Å; M530-L590 HydrophobicContact CG-CB 4Å; M530-L590 HydrophobicContact CG-CD1 3.38Å; M530-L590 HydrophobicContact CG-CG 4.29Å; M530-L590 HydrophobicContact SD-CB 3.74Å; M530-L590 HydrophobicContact SD-CD1 4.12Å
531L95.8Very high91Very high4 Ų419.6 Ų19.62%0.02110%0.096CC..Hα-helixtrans-63.8-44.7-178.6-173.866000111.2C464 Y467 Q468 L471 L485 A527 M528 C533 D534 C535C464-L531 HydrophobicContact CB-CD2 3.91Å; Y467-L531 HydrophobicContact CD2-CD2 4.33Å; Y467-L531 HydrophobicContact CG-CD2 4.43Å; Q468-L531 HydrophobicContact CG-CB 4.07Å; Q468-L531 HydrophobicContact CG-CD1 4.47Å; L471-L531 HydrophobicContact CD1-CD1 3.73Å; L485-L531 HydrophobicContact CD1-CD1 4.04Å; A527-L531 WeakPolarHBondContact O-CB 3.34Å; A527-L531 PolarHBondContact O-N 3.41Å; M528-L531 PolarHBondContact O-N 3.22Å; L531-C533 VanDerWaalsContact C-N 3.33Å; L531-C533 PolarHBondContact O-N 3.49Å; L531-D534 PolarHBondContact O-N 3Å; L531-C535 WeakPolarHBondContact O-CB 3.46Å; L531-C535 PolarHBondContact O-N 3.32Å; L531-C535 PolarHBondContact O-SG 3.2Å
532F95.8Very high90.7Very high0 Ų018 Ų180%09%0.091CC..Hα-helixtrans-56.8-47.6174.6172.2-103.4000111.5L492 L495 W496 I499 M528 L529 S536 F555 I563L492-F532 HydrophobicContact CB-CE2 4.47Å; L495-F532 HydrophobicContact CD2-CB 4.08Å; L495-F532 HydrophobicContact CD2-CD2 4.31Å; L495-F532 HydrophobicContact CG-CD2 4.45Å; W496-F532 HydrophobicContact CB-CD2 4.46Å; W496-F532 HydrophobicContact CB-CE2 3.63Å; W496-F532 HydrophobicContact CB-CZ 3.77Å; W496-F532 HydrophobicContact CD2-CE1 4.16Å; W496-F532 AromaticContact CD2-CZ 3.91Å; W496-F532 HydrophobicContact CD2-CZ 3.91Å; W496-F532 HydrophobicContact CE3-CD1 4.02Å; W496-F532 AromaticContact CE3-CE1 3.4Å; W496-F532 HydrophobicContact CE3-CE1 3.4Å; W496-F532 HydrophobicContact CE3-CE2 4.33Å; W496-F532 AromaticContact CE3-CZ 3.59Å; W496-F532 HydrophobicContact CE3-CZ 3.59Å; W496-F532 HydrophobicContact CG-CE2 4.36Å; W496-F532 AromaticContact CG-CZ 3.99Å; W496-F532 HydrophobicContact CG-CZ 3.99Å; W496-F532 HydrophobicContact CZ3-CD1 4.41Å; W496-F532 AromaticContact CZ3-CE1 3.89Å; W496-F532 HydrophobicContact CZ3-CE1 3.89Å; W496-F532 HydrophobicContact CZ3-CZ 4.47Å; I499-F532 HydrophobicContact CD1-CB 3.87Å; I499-F532 HydrophobicContact CD1-CD1 4.24Å; I499-F532 HydrophobicContact CD1-CD2 4.49Å; I499-F532 HydrophobicContact CD1-CG 3.93Å; M528-F532 PolarHBondContact O-N 3.39Å; L529-F532 PolarHBondContact O-N 2.79Å; F532-S536 VanDerWaalsContact CE2-OG 3.26Å; F532-S536 WeakPolarHBondContact CE2-OG 3.32Å; F532-S536 WeakPolarHBondContact O-CB 3.42Å; F532-S536 PolarHBondContact O-N 2.87Å; F532-S536 PolarHBondContact O-OG 3.09Å; F532-F555 HydrophobicContact CE2-CE1 4.19Å; F532-F555 AromaticContact CE2-CZ 3.84Å; F532-F555 HydrophobicContact CE2-CZ 3.84Å; F532-F555 HydrophobicContact CZ-CE1 4.28Å; F532-F555 HydrophobicContact CZ-CZ 4.09Å; F532-I563 HydrophobicContact CE1-CG2 4.4Å; F532-I563 HydrophobicContact CZ-CD1 4.02Å; F532-I563 HydrophobicContact CZ-CG1 4.4Å
533C95.9Very high90.4Very high0 Ų018.3 Ų18.30%09%0.091CC..Hα-helixtrans-65.1-44.5-179.9-660000112.3L529 M530 L531 R537 S593 W597L529-C533 PolarHBondContact O-N 3.43Å; L529-C533 PolarHBondContact O-SG 2.9Å; M530-C533 PolarHBondContact O-N 2.96Å; L531-C533 VanDerWaalsContact C-N 3.33Å; L531-C533 PolarHBondContact O-N 3.49Å; C533-R537 WeakPolarHBondContact O-CB 3.13Å; C533-R537 PolarHBondContact O-N 2.73Å; C533-S593 WeakPolarHBondContact CB-O 3.31Å; C533-W597 HydrophobicContact CB-CB 4.01Å; C533-W597 HydrophobicContact CB-CG 4.44Å
534D93.6Very high89.9Confident4 Ų415.8 Ų15.82%0.0218%0.081CC..Hα-helixtrans-65.7-41.8179.6-88.9-29.2000112.8R478 L482 M530 L531 R537 H538 S593R478-D534 IonicContact CZ-OD2 3.53Å; R478-D534 IonicContact NH2-OD1 3.47Å; R478-D534 PolarHBondContact NH2-OD1 3.44Å; R478-D534 IonicContact NH2-OD2 3.18Å; R478-D534 PolarHBondContact NH2-OD2 3.32Å; L482-D534 HydrophobicContact CD2-CB 4.16Å; M530-D534 PolarHBondContact O-N 3.46Å; L531-D534 PolarHBondContact O-N 3Å; D534-R537 IonicContact OD1-CZ 2.65Å; D534-R537 IonicContact OD1-NE 3.9Å; D534-R537 IonicContact OD1-NH2 3.1Å; D534-R537 PolarHBondContact OD1-NH2 3.42Å; D534-H538 WeakPolarHBondContact O-CB 3.43Å; D534-H538 PolarHBondContact O-N 2.94Å; D534-H538 VanDerWaalsContact O-N 3.09Å; D534-S593 PolarHBondContact OD1-OG 3.11Å; D534-S593 PolarHBondContact OD2-OG 2.88Å
535C93.3Very high89.5Confident3 Ų314.4 Ų14.42%0.028%0.075CC..Hα-helixtrans-70.7-43.9177.7-62.20000111.6T486 L492 L531 R537 H538 L539T486-C535 HydrophobicContact CG2-CB 4.15Å; T486-C535 VanDerWaalsContact CG2-O 3.31Å; T486-C535 WeakPolarHBondContact CG2-O 3.46Å; L492-C535 HydrophobicContact CD1-CB 3.99Å; L492-C535 HydrophobicContact CD2-CB 3.54Å; L492-C535 HydrophobicContact CG-CB 4.4Å; L531-C535 WeakPolarHBondContact O-CB 3.46Å; L531-C535 PolarHBondContact O-N 3.32Å; L531-C535 PolarHBondContact O-SG 3.2Å; C535-R537 VanDerWaalsContact C-N 3.35Å; C535-R537 PolarHBondContact O-N 3.33Å; C535-H538 PolarHBondContact O-N 3.42Å; C535-L539 WeakPolarHBondContact O-CB 3.44Å; C535-L539 PolarHBondContact O-N 3.46Å
536S93.4Very high89Confident0 Ų016.2 Ų16.20%08%0.084CC..Hα-helixtrans-64.8-41179.6-56.50000111.6F532 L539 I540F532-S536 VanDerWaalsContact CE2-OG 3.26Å; F532-S536 WeakPolarHBondContact CE2-OG 3.32Å; F532-S536 WeakPolarHBondContact O-CB 3.42Å; F532-S536 PolarHBondContact O-N 2.87Å; F532-S536 PolarHBondContact O-OG 3.09Å; S536-L539 PolarHBondContact O-N 3.39Å; S536-I540 WeakPolarHBondContact O-CB 3.39Å; S536-I540 WeakPolarHBondContact O-CG1 3.31Å; S536-I540 PolarHBondContact O-N 3.33Å
537R90.4Very high88.7Confident45 Ų4516.4 Ų16.417%0.179%0.085CC..Hα-helixtrans-58.7-49172.9-178.7176.561.694-3.2111.4C533 D534 C535 T541 W597 V600C533-R537 WeakPolarHBondContact O-CB 3.13Å; C533-R537 PolarHBondContact O-N 2.73Å; D534-R537 IonicContact OD1-CZ 2.65Å; D534-R537 IonicContact OD1-NE 3.9Å; D534-R537 IonicContact OD1-NH2 3.1Å; D534-R537 PolarHBondContact OD1-NH2 3.42Å; C535-R537 VanDerWaalsContact C-N 3.35Å; C535-R537 PolarHBondContact O-N 3.33Å; R537-T541 WeakPolarHBondContact O-CG2 3.34Å; R537-T541 PolarHBondContact O-N 2.93Å; R537-T541 VanDerWaalsContact O-N 3.13Å; R537-T541 PolarHBondContact O-OG1 2.9Å; R537-W597 VanDerWaalsContact CA-CE3 3.42Å; R537-W597 HydrophobicContact CB-CB 4.32Å; R537-W597 HydrophobicContact CB-CD2 4.31Å; R537-W597 HydrophobicContact CB-CE3 3.83Å; R537-W597 HydrophobicContact CG-CE3 4.38Å; R537-V600 HydrophobicContact CG-CG2 3.98Å
538H87.7Confident88.4Confident23 Ų2316 Ų1611%0.1068%0.08CC..Hα-helixtrans-61.4-48.4179-176.775.3000112.2L482 T483 D534 C535 I540 T541 I542L482-H538 HydrophobicContact CB-CB 4.08Å; L482-H538 HydrophobicContact CD1-CB 4.18Å; T483-H538 PolarHBondContact N-NE2 3.32Å; T483-H538 PolarHBondContact OG1-NE2 3.01Å; D534-H538 WeakPolarHBondContact O-CB 3.43Å; D534-H538 PolarHBondContact O-N 2.94Å; D534-H538 VanDerWaalsContact O-N 3.09Å; C535-H538 PolarHBondContact O-N 3.42Å; H538-I540 PolarHBondContact O-N 2.91Å; H538-T541 PolarHBondContact O-N 3.44Å; H538-T541 PolarHBondContact O-OG1 2.89Å; H538-I542 WeakPolarHBondContact NE2-CD1 3.21Å; H538-I542 WeakPolarHBondContact O-CG1 3.47Å; H538-I542 PolarHBondContact O-N 2.86Å
539L87.9Confident88Confident11 Ų1116.7 Ų16.76%0.0588%0.083CC..Hα-helixtrans-55.6-54.1177.8174.561.8000111T486 L492 C535 S536 T541 I542 L543 F555T486-L539 HydrophobicContact CG2-CB 3.74Å; L492-L539 HydrophobicContact CD1-CB 4.29Å; L492-L539 HydrophobicContact CD1-CD2 3.85Å; C535-L539 WeakPolarHBondContact O-CB 3.44Å; C535-L539 PolarHBondContact O-N 3.46Å; S536-L539 PolarHBondContact O-N 3.39Å; L539-T541 VanDerWaalsContact C-N 3.25Å; L539-T541 PolarHBondContact O-N 3.03Å; L539-I542 PolarHBondContact O-N 3.41Å; L539-L543 HydrophobicContact CD1-CD1 3.97Å; L539-L543 HydrophobicContact CD1-CD2 4.16Å; L539-L543 HydrophobicContact CD1-CG 3.95Å; L539-L543 HydrophobicContact CD2-CD1 4.48Å; L539-L543 HydrophobicContact CG-CD1 3.92Å; L539-L543 HydrophobicContact CG-CG 4.25Å; L539-L543 WeakPolarHBondContact O-CG 3.36Å; L539-L543 PolarHBondContact O-N 2.77Å; L539-F555 HydrophobicContact CD2-CE2 4.4Å
540I86.3Confident87.6Confident2 Ų222.3 Ų22.31%0.0111%0.109CC..Hα-helixtrans-69.4-26.1-171.9-70.3-89.3000111.8S536 H538 I542 L543 V548 F555 W597 V600 R604S536-I540 WeakPolarHBondContact O-CB 3.39Å; S536-I540 WeakPolarHBondContact O-CG1 3.31Å; S536-I540 PolarHBondContact O-N 3.33Å; H538-I540 PolarHBondContact O-N 2.91Å; I540-I542 VanDerWaalsContact C-N 3.29Å; I540-I542 PolarHBondContact O-N 3.28Å; I540-L543 HydrophobicContact CD1-CD1 4.27Å; I540-V548 HydrophobicContact CD1-CG1 4.43Å; I540-V548 HydrophobicContact CD1-CG2 4.09Å; I540-F555 HydrophobicContact CD1-CD2 4.42Å; I540-W597 HydrophobicContact CB-CH2 3.61Å; I540-W597 HydrophobicContact CB-CZ3 3.66Å; I540-W597 HydrophobicContact CD1-CH2 4.28Å; I540-W597 HydrophobicContact CG1-CH2 3.45Å; I540-W597 VanDerWaalsContact CG1-CH2 3.45Å; I540-W597 HydrophobicContact CG1-CZ2 4.29Å; I540-W597 HydrophobicContact CG1-CZ3 4.05Å; I540-W597 HydrophobicContact CG2-CH2 3.79Å; I540-W597 HydrophobicContact CG2-CZ3 3.76Å; I540-V600 HydrophobicContact CG2-CG1 3.99Å; I540-R604 PolarHBondContact O-NH2 3.16Å
541T80.6Confident87.2Confident38 Ų3826.2 Ų26.223%0.23313%0.127CC..Hα-helixtrans-72.7-18.4171.351.60000114.3R537 H538 L539 V600R537-T541 WeakPolarHBondContact O-CG2 3.34Å; R537-T541 PolarHBondContact O-N 2.93Å; R537-T541 VanDerWaalsContact O-N 3.13Å; R537-T541 PolarHBondContact O-OG1 2.9Å; H538-T541 PolarHBondContact O-N 3.44Å; H538-T541 PolarHBondContact O-OG1 2.89Å; L539-T541 VanDerWaalsContact C-N 3.25Å; L539-T541 PolarHBondContact O-N 3.03Å; T541-V600 HydrophobicContact CG2-CG1 4.21Å; T541-V600 HydrophobicContact CG2-CG2 4.21Å
542I78.1Confident86.9Confident74 Ų7429.4 Ų29.438%0.37914%0.143SC..Hα-helixtrans-93-30.4177.7-65166.2000111.1H538 L539 I540H538-I542 WeakPolarHBondContact NE2-CD1 3.21Å; H538-I542 WeakPolarHBondContact O-CG1 3.47Å; H538-I542 PolarHBondContact O-N 2.86Å; L539-I542 PolarHBondContact O-N 3.41Å; I540-I542 VanDerWaalsContact C-N 3.29Å; I540-I542 PolarHBondContact O-N 3.28Å
543L80.1Confident86.3Confident14 Ų1431.6 Ų31.67%0.07315%0.154CC..SBendtrans-71.6135178.2-63.2179.5000111.4L539 I540 E547 V548 I553 R604L539-L543 HydrophobicContact CD1-CD1 3.97Å; L539-L543 HydrophobicContact CD1-CD2 4.16Å; L539-L543 HydrophobicContact CD1-CG 3.95Å; L539-L543 HydrophobicContact CD2-CD1 4.48Å; L539-L543 HydrophobicContact CG-CD1 3.92Å; L539-L543 HydrophobicContact CG-CG 4.25Å; L539-L543 WeakPolarHBondContact O-CG 3.36Å; L539-L543 PolarHBondContact O-N 2.77Å; I540-L543 HydrophobicContact CD1-CD1 4.27Å; L543-E547 VanDerWaalsContact CA-OE2 3.27Å; L543-E547 WeakPolarHBondContact CA-OE2 3.35Å; L543-E547 HydrophobicContact CB-CB 4.2Å; L543-E547 HydrophobicContact CD2-CB 4.2Å; L543-V548 HydrophobicContact CB-CG2 3.48Å; L543-V548 VanDerWaalsContact CB-CG2 3.48Å; L543-V548 HydrophobicContact CD1-CG2 4.01Å; L543-V548 HydrophobicContact CG-CG2 4.42Å; L543-I553 HydrophobicContact CD1-CB 4.37Å; L543-I553 HydrophobicContact CD1-CG2 4.45Å; L543-I553 HydrophobicContact CD2-CG2 4.39Å; L543-R604 PolarHBondContact O-NH2 3.45Å
544D78Confident85.9Confident6 Ų632.8 Ų32.83%0.03216%0.162CC..  trans-80.2172.5176.268.149.9000112.3I546 E547 V548 K834D544-I546 PolarHBondContact O-N 3.38Å; D544-I546 WeakPolarHBondContact OD1-CA 3.37Å; D544-I546 WeakPolarHBondContact OD1-CB 3.32Å; D544-I546 PolarHBondContact OD1-N 3.13Å; D544-E547 PolarHBondContact N-OE2 2.88Å; D544-E547 PolarHBondContact O-N 2.77Å; D544-E547 WeakPolarHBondContact OD1-CG 3.27Å; D544-E547 PolarHBondContact OD1-N 3.04Å; D544-V548 WeakPolarHBondContact O-CG2 3.33Å; D544-V548 PolarHBondContact O-N 2.83Å; D544-V548 VanDerWaalsContact O-N 3.07Å; D544-K834 IonicContact OD2-NZ 2.74Å; D544-K834 PolarHBondContact OD2-NZ 2.65Å
545D79.9Confident85.7Confident21 Ų2132.7 Ų32.711%0.11216%0.161CC..Hα-helixtrans-66.5-25-175.8-79.5-7000112.7Y549 R604 R607D545-Y549 HydrophobicContact CB-CD2 4.11Å; D545-Y549 HydrophobicContact CB-CE2 4.44Å; D545-Y549 WeakPolarHBondContact O-CB 3.41Å; D545-Y549 VanDerWaalsContact O-CD2 3.26Å; D545-Y549 WeakPolarHBondContact O-CD2 3.23Å; D545-Y549 PolarHBondContact O-N 2.94Å; D545-Y549 VanDerWaalsContact O-N 3.09Å; D545-R604 IonicContact OD1-NH1 2.94Å; D545-R607 IonicContact OD1-CZ 3.52Å; D545-R607 IonicContact OD1-NH1 3.77Å; D545-R607 PolarHBondContact OD1-NH1 3.24Å; D545-R607 IonicContact OD1-NH2 3.61Å; D545-R607 PolarHBondContact OD1-NH2 2.92Å; D545-R607 IonicContact OD2-CZ 2.69Å; D545-R607 IonicContact OD2-NH1 3.73Å; D545-R607 PolarHBondContact OD2-NH1 3.49Å; D545-R607 IonicContact OD2-NH2 3.62Å
546I82.1Confident85.6Confident45 Ų4538.3 Ų38.323%0.23119%0.186CC..Hα-helixtrans-74.1-48.4176.7-60.6171.9000108.6D544 V548 E550 E551D544-I546 PolarHBondContact O-N 3.38Å; D544-I546 WeakPolarHBondContact OD1-CA 3.37Å; D544-I546 WeakPolarHBondContact OD1-CB 3.32Å; D544-I546 PolarHBondContact OD1-N 3.13Å; I546-V548 VanDerWaalsContact C-N 3.29Å; I546-V548 PolarHBondContact O-N 3.47Å; I546-E550 HydrophobicContact CG2-CB 4.2Å; I546-E550 WeakPolarHBondContact O-CA 3.3Å; I546-E550 WeakPolarHBondContact O-CB 3.44Å; I546-E550 PolarHBondContact O-N 3.27Å; I546-E551 HydrophobicContact CG2-CG 4.19Å; I546-E551 WeakPolarHBondContact CG2-OE1 3.38Å; I546-E551 PolarHBondContact O-N 3.09Å
547E85.7Confident85.5Confident27 Ų2740.3 Ų40.313%0.12620%0.196CC..Hα-helixtrans-57.9-40179.3-70.5171.4151.700112.3L543 D544 Q552 I553 K834L543-E547 VanDerWaalsContact CA-OE2 3.27Å; L543-E547 WeakPolarHBondContact CA-OE2 3.35Å; L543-E547 HydrophobicContact CB-CB 4.2Å; L543-E547 HydrophobicContact CD2-CB 4.2Å; D544-E547 PolarHBondContact N-OE2 2.88Å; D544-E547 PolarHBondContact O-N 2.77Å; D544-E547 WeakPolarHBondContact OD1-CG 3.27Å; D544-E547 PolarHBondContact OD1-N 3.04Å; E547-Q552 WeakPolarHBondContact O-CA 3.49Å; E547-Q552 PolarHBondContact O-N 2.94Å; E547-I553 HydrophobicContact CB-CD1 3.84Å; E547-I553 HydrophobicContact CB-CG1 4.23Å; E547-I553 HydrophobicContact CG-CD1 3.69Å; E547-I553 PolarHBondContact O-N 3.48Å; E547-K834 IonicContact OE1-NZ 3.06Å; E547-K834 PolarHBondContact OE1-NZ 2.93Å; E547-K834 VanDerWaalsContact OE1-NZ 3.1Å; E547-K834 IonicContact OE2-NZ 3.73Å; E547-K834 PolarHBondContact OE2-NZ 2.89Å
548V87Confident85.5Confident4 Ų444.5 Ų44.52%0.02422%0.217CC..Hα-helixtrans-82.2-46.7-178.3176.40000113.2I540 L543 D544 I546 Q552 L560 R604I540-V548 HydrophobicContact CD1-CG1 4.43Å; I540-V548 HydrophobicContact CD1-CG2 4.09Å; L543-V548 HydrophobicContact CB-CG2 3.48Å; L543-V548 VanDerWaalsContact CB-CG2 3.48Å; L543-V548 HydrophobicContact CD1-CG2 4.01Å; L543-V548 HydrophobicContact CG-CG2 4.42Å; D544-V548 WeakPolarHBondContact O-CG2 3.33Å; D544-V548 PolarHBondContact O-N 2.83Å; D544-V548 VanDerWaalsContact O-N 3.07Å; I546-V548 VanDerWaalsContact C-N 3.29Å; I546-V548 PolarHBondContact O-N 3.47Å; V548-Q552 WeakPolarHBondContact O-CA 3.43Å; V548-Q552 WeakPolarHBondContact O-CG 3.44Å; V548-L560 HydrophobicContact CG1-CD1 4.26Å; V548-R604 VanDerWaalsContact CG2-NH1 3.35Å
549Y86.6Confident85.6Confident15 Ų1545.4 Ų45.46%0.05922%0.222CC..Hα-helixtrans-94.2-29.9-169.8-67-85.5000113.9D545 L557 R604 R608 F610D545-Y549 HydrophobicContact CB-CD2 4.11Å; D545-Y549 HydrophobicContact CB-CE2 4.44Å; D545-Y549 WeakPolarHBondContact O-CB 3.41Å; D545-Y549 VanDerWaalsContact O-CD2 3.26Å; D545-Y549 WeakPolarHBondContact O-CD2 3.23Å; D545-Y549 PolarHBondContact O-N 2.94Å; D545-Y549 VanDerWaalsContact O-N 3.09Å; Y549-L557 HydrophobicContact CD1-CD2 4Å; Y549-R604 PolarHBondContact OH-O 3.47Å; Y549-R608 VanDerWaalsContact CB-CZ 3.47Å; Y549-R608 HydrophobicContact CD1-CG 4.03Å; Y549-R608 HydrophobicContact CE1-CB 3.96Å; Y549-R608 HydrophobicContact CE1-CG 3.78Å; Y549-R608 WeakPolarHBondContact CE1-O 3.48Å; Y549-R608 HydrophobicContact CE2-CB 4.21Å; Y549-R608 HydrophobicContact CE2-CG 4.44Å; Y549-R608 HydrophobicContact CG-CG 4.45Å; Y549-R608 PolarHBondContact OH-O 3.41Å; Y549-R608 VanDerWaalsContact OH-O 3.11Å; Y549-F610 HydrophobicContact CE1-CB 4.24Å; Y549-F610 AromaticContact CE1-CD1 3.95Å; Y549-F610 HydrophobicContact CE1-CD1 3.95Å; Y549-F610 HydrophobicContact CE1-CG 4.48Å
550E86.6Confident85.9Confident118 Ų11845 Ų4555%0.55122%0.22SC*.THydrogen-bonded Turntrans-102.8-55-174.7-61.6175.4-161.100110.6I546 R608I546-E550 HydrophobicContact CG2-CB 4.2Å; I546-E550 WeakPolarHBondContact O-CA 3.3Å; I546-E550 WeakPolarHBondContact O-CB 3.44Å; I546-E550 PolarHBondContact O-N 3.27Å; E550-R608 IonicContact OE1-NH1 3.36Å; E550-R608 IonicContact OE1-NH2 3.95Å
551E86.8Confident86.3Confident96 Ų9646.3 Ų46.345%0.44923%0.228SC..SBendtrans-79.3-24.8179.8-60.5171.7-167.700112I546 I553 R835I546-E551 HydrophobicContact CG2-CG 4.19Å; I546-E551 WeakPolarHBondContact CG2-OE1 3.38Å; I546-E551 PolarHBondContact O-N 3.09Å; E551-I553 VanDerWaalsContact C-N 3.33Å; E551-I553 HydrophobicContact CB-CG1 4.02Å; E551-I553 PolarHBondContact O-N 2.81Å; E551-R835 IonicContact OE1-CZ 3.84Å; E551-R835 IonicContact OE1-NH1 2.86Å; E551-R835 PolarHBondContact OE1-NH1 3.31Å; E551-R835 IonicContact OE1-NH2 3.87Å; E551-R835 PolarHBondContact OE1-NH2 3.15Å; E551-R835 IonicContact OE2-NH2 3.63Å
552Q88.8Confident86.8Confident72 Ų7247.7 Ų47.734%0.33624%0.236SC..  trans51.947.7-178.4-67.7178.369.900112.8E547 V548 S554 K556 L557E547-Q552 WeakPolarHBondContact O-CA 3.49Å; E547-Q552 PolarHBondContact O-N 2.94Å; V548-Q552 WeakPolarHBondContact O-CA 3.43Å; V548-Q552 WeakPolarHBondContact O-CG 3.44Å; Q552-S554 PolarHBondContact O-N 2.88Å; Q552-K556 VanDerWaalsContact OE1-CA 3.28Å; Q552-L557 HydrophobicContact CG-CG 4.26Å
553I84.4Confident87.6Confident46 Ų4644.2 Ų44.224%0.23622%0.218CC..  trans-60.1133.4177.6-61-172.7000110L543 E547 E551 F555L543-I553 HydrophobicContact CD1-CB 4.37Å; L543-I553 HydrophobicContact CD1-CG2 4.45Å; L543-I553 HydrophobicContact CD2-CG2 4.39Å; E547-I553 HydrophobicContact CB-CD1 3.84Å; E547-I553 HydrophobicContact CB-CG1 4.23Å; E547-I553 HydrophobicContact CG-CD1 3.69Å; E547-I553 PolarHBondContact O-N 3.48Å; E551-I553 VanDerWaalsContact C-N 3.33Å; E551-I553 HydrophobicContact CB-CG1 4.02Å; E551-I553 PolarHBondContact O-N 2.81Å; I553-F555 PolarHBondContact O-N 3.41Å
554S86.4Confident88.3Confident25 Ų2543.5 Ų43.518%0.17522%0.215CC..SBendtrans62.1-60.4-173.9-57.90000114.8D489 P493 Q552D489-S554 PolarHBondContact O-OG 3.35Å; P493-S554 WeakPolarHBondContact CG-O 3.39Å; Q552-S554 PolarHBondContact O-N 2.88Å
555F89.8Confident89.1Confident2 Ų245.8 Ų45.81%0.00923%0.231CC..SBendtrans-113134.9-175.5-64.5-72.8000112.7L492 P493 W496 F532 L539 I540 I553 L560 I563L492-F555 HydrophobicContact CB-CE2 4.19Å; L492-F555 HydrophobicContact CB-CZ 3.68Å; L492-F555 HydrophobicContact CD1-CE2 4.45Å; P493-F555 HydrophobicContact CB-CE1 4.44Å; P493-F555 HydrophobicContact CG-CD1 4.25Å; P493-F555 HydrophobicContact CG-CE1 4.2Å; W496-F555 HydrophobicContact CB-CE1 4.48Å; F532-F555 HydrophobicContact CE2-CE1 4.19Å; F532-F555 AromaticContact CE2-CZ 3.84Å; F532-F555 HydrophobicContact CE2-CZ 3.84Å; F532-F555 HydrophobicContact CZ-CE1 4.28Å; F532-F555 HydrophobicContact CZ-CZ 4.09Å; L539-F555 HydrophobicContact CD2-CE2 4.4Å; I540-F555 HydrophobicContact CD1-CD2 4.42Å; I553-F555 PolarHBondContact O-N 3.41Å; F555-L560 HydrophobicContact CB-CD2 3.6Å; F555-L560 HydrophobicContact CB-CG 4.04Å; F555-L560 HydrophobicContact CD2-CD2 4.2Å; F555-L560 HydrophobicContact CG-CD2 3.94Å; F555-I563 HydrophobicContact CD1-CD1 3.96Å; F555-I563 HydrophobicContact CE1-CD1 3.87Å; F555-I563 HydrophobicContact CZ-CD1 4.5Å
556K91.1Very high89.8Confident121 Ų12145.2 Ų45.253%0.52623%0.227SC..  trans-73.3151.8166.6-63.6-178.4-179.4178.40110.8Q552 E558 E559 L560Q552-K556 VanDerWaalsContact OE1-CA 3.28Å; K556-E558 PolarHBondContact O-N 3.12Å; K556-E559 HydrophobicContact CB-CG 4.17Å; K556-E559 PolarHBondContact N-OE2 3.36Å; K556-E559 WeakPolarHBondContact O-CA 3.38Å; K556-E559 WeakPolarHBondContact O-CB 3.42Å; K556-E559 PolarHBondContact O-N 3.45Å; K556-L560 PolarHBondContact O-N 3.05Å
557L91.5Very high90.5Very high42 Ų4243 Ų4322%0.2222%0.216CC..Hα-helixtrans-57.3-37.1176.5-64.5-179.3000112.1Y549 Q552 E559 L560 V561 F610Y549-L557 HydrophobicContact CD1-CD2 4Å; Q552-L557 HydrophobicContact CG-CG 4.26Å; L557-E559 VanDerWaalsContact C-N 3.32Å; L557-E559 PolarHBondContact O-N 2.75Å; L557-L560 HydrophobicContact CD2-CD1 4.24Å; L557-L560 PolarHBondContact O-N 3.03Å; L557-V561 WeakPolarHBondContact O-CG2 3.37Å; L557-V561 PolarHBondContact O-N 3.49Å; L557-F610 HydrophobicContact CD1-CB 4.34Å; L557-F610 HydrophobicContact CD2-CB 4.09Å; L557-F610 HydrophobicContact CD2-CG 4.38Å
558E89.5Confident90.9Very high132 Ų13241.8 Ų41.862%0.61721%0.211SC*.Hα-helixtrans-62.1-38.4175.1-63.7-174.9175.700112.3K556 V561 T562K556-E558 PolarHBondContact O-N 3.12Å; E558-V561 WeakPolarHBondContact O-CB 3.44Å; E558-V561 PolarHBondContact O-N 2.93Å; E558-T562 WeakPolarHBondContact O-CG2 3.23Å; E558-T562 PolarHBondContact O-N 3.33Å
559E90.8Very high91.3Very high42 Ų4242.2 Ų42.220%0.19621%0.213CC..Hα-helixtrans-67.2-42.9176.4-65.2174.8136.700110.4K556 L557 V561 T562 I563K556-E559 HydrophobicContact CB-CG 4.17Å; K556-E559 PolarHBondContact N-OE2 3.36Å; K556-E559 WeakPolarHBondContact O-CA 3.38Å; K556-E559 WeakPolarHBondContact O-CB 3.42Å; K556-E559 PolarHBondContact O-N 3.45Å; L557-E559 VanDerWaalsContact C-N 3.32Å; L557-E559 PolarHBondContact O-N 2.75Å; E559-V561 PolarHBondContact O-N 3.32Å; E559-T562 PolarHBondContact O-N 2.96Å; E559-T562 PolarHBondContact O-OG1 3.24Å; E559-I563 WeakPolarHBondContact O-CB 3.5Å; E559-I563 VanDerWaalsContact O-CG1 3.29Å; E559-I563 WeakPolarHBondContact O-CG1 3.47Å; E559-I563 PolarHBondContact O-N 3.19Å
560L93.8Very high91.7Very high3 Ų341.5 Ų41.52%0.01621%0.211CC..Hα-helixtrans-59.2-35.5174.1-61-175.7000112.3V548 F555 K556 L557 I563 S564 W597 L601 F610V548-L560 HydrophobicContact CG1-CD1 4.26Å; F555-L560 HydrophobicContact CB-CD2 3.6Å; F555-L560 HydrophobicContact CB-CG 4.04Å; F555-L560 HydrophobicContact CD2-CD2 4.2Å; F555-L560 HydrophobicContact CG-CD2 3.94Å; K556-L560 PolarHBondContact O-N 3.05Å; L557-L560 HydrophobicContact CD2-CD1 4.24Å; L557-L560 PolarHBondContact O-N 3.03Å; L560-I563 HydrophobicContact CD2-CD1 4.43Å; L560-S564 VanDerWaalsContact O-CB 3.3Å; L560-S564 WeakPolarHBondContact O-CB 3.32Å; L560-S564 PolarHBondContact O-N 3.26Å; L560-S564 PolarHBondContact O-OG 3.38Å; L560-W597 HydrophobicContact CD2-CZ2 4.38Å; L560-L601 HydrophobicContact CB-CD2 4.42Å; L560-L601 HydrophobicContact CD1-CD2 4.48Å; L560-L601 HydrophobicContact CD2-CD2 4.06Å; L560-F610 HydrophobicContact CB-CD2 4.35Å; L560-F610 HydrophobicContact CB-CE2 3.73Å; L560-F610 HydrophobicContact CB-CZ 4.3Å
561V94.1Very high92.1Very high30 Ų3035.9 Ų35.918%0.18218%0.184CC..Hα-helixtrans-65.1-44172.4174.30000111L557 E558 E559 S564 S565 F610 A611 H615L557-V561 WeakPolarHBondContact O-CG2 3.37Å; L557-V561 PolarHBondContact O-N 3.49Å; E558-V561 WeakPolarHBondContact O-CB 3.44Å; E558-V561 PolarHBondContact O-N 2.93Å; E559-V561 PolarHBondContact O-N 3.32Å; V561-S564 WeakPolarHBondContact CA-OG 3.42Å; V561-S564 PolarHBondContact O-OG 3.06Å; V561-S565 WeakPolarHBondContact O-CB 3.38Å; V561-S565 PolarHBondContact O-N 2.93Å; V561-F610 HydrophobicContact CG2-CD2 3.81Å; V561-F610 HydrophobicContact CG2-CE2 4.06Å; V561-A611 HydrophobicContact CG2-CB 4.43Å; V561-H615 PolarHBondContact O-CE1 3.34Å
562T92.2Very high92.5Very high67 Ų6731.4 Ų31.441%0.41116%0.164SC..Hα-helixtrans-65.3-42.7177.264.30000112.7E558 E559 S565 F566E558-T562 WeakPolarHBondContact O-CG2 3.23Å; E558-T562 PolarHBondContact O-N 3.33Å; E559-T562 PolarHBondContact O-N 2.96Å; E559-T562 PolarHBondContact O-OG1 3.24Å; T562-S565 PolarHBondContact O-N 3Å; T562-F566 PolarHBondContact O-N 2.91Å
563I94.7Very high92.8Very high0 Ų031.3 Ų31.30%016%0.162CC..Hα-helixtrans-62.1-51.6177.6-68.9162.6000109.6W496 F532 F555 E559 L560 S565 F566 L567 L601W496-I563 HydrophobicContact CD2-CD1 4.24Å; W496-I563 HydrophobicContact CD2-CG1 3.68Å; W496-I563 HydrophobicContact CE3-CG1 4.24Å; W496-I563 HydrophobicContact CG-CD1 4.19Å; W496-I563 HydrophobicContact CG-CG1 4.11Å; W496-I563 HydrophobicContact CH2-CG1 4.14Å; W496-I563 HydrophobicContact CZ2-CB 4.25Å; W496-I563 HydrophobicContact CZ2-CG1 3.56Å; W496-I563 HydrophobicContact CZ3-CG1 4.45Å; F532-I563 HydrophobicContact CE1-CG2 4.4Å; F532-I563 HydrophobicContact CZ-CD1 4.02Å; F532-I563 HydrophobicContact CZ-CG1 4.4Å; F555-I563 HydrophobicContact CD1-CD1 3.96Å; F555-I563 HydrophobicContact CE1-CD1 3.87Å; F555-I563 HydrophobicContact CZ-CD1 4.5Å; E559-I563 WeakPolarHBondContact O-CB 3.5Å; E559-I563 VanDerWaalsContact O-CG1 3.29Å; E559-I563 WeakPolarHBondContact O-CG1 3.47Å; E559-I563 PolarHBondContact O-N 3.19Å; L560-I563 HydrophobicContact CD2-CD1 4.43Å; I563-S565 VanDerWaalsContact C-N 3.3Å; I563-S565 PolarHBondContact O-N 2.98Å; I563-F566 WeakPolarHBondContact O-CB 3.38Å; I563-F566 PolarHBondContact O-N 3.06Å; I563-F566 VanDerWaalsContact O-N 3.09Å; I563-L567 HydrophobicContact CG2-CD1 3.61Å; I563-L567 HydrophobicContact CG2-CG 4.12Å; I563-L567 VanDerWaalsContact O-CG 3.28Å; I563-L567 WeakPolarHBondContact O-CG 3.32Å; I563-L567 PolarHBondContact O-N 3.48Å; I563-L601 HydrophobicContact CG2-CD1 3.95Å
564S95.5Very high93.2Very high0 Ų029.1 Ų29.10%015%0.151CC..Hα-helixtrans-60.5-37.917951.80000112.4L560 V561 L567 N568 H615L560-S564 VanDerWaalsContact O-CB 3.3Å; L560-S564 WeakPolarHBondContact O-CB 3.32Å; L560-S564 PolarHBondContact O-N 3.26Å; L560-S564 PolarHBondContact O-OG 3.38Å; V561-S564 WeakPolarHBondContact CA-OG 3.42Å; V561-S564 PolarHBondContact O-OG 3.06Å; S564-L567 PolarHBondContact O-N 2.95Å; S564-N568 WeakPolarHBondContact O-CB 3.38Å; S564-N568 PolarHBondContact O-N 3.29Å; S564-H615 PolarHBondContact OG-NE2 3.35Å
565S93.7Very high93.6Very high53 Ų5328 Ų2837%0.37114%0.143SC..Hα-helixtrans-61.8-43.4173.2176.40000112.4V561 T562 I563 S569V561-S565 WeakPolarHBondContact O-CB 3.38Å; V561-S565 PolarHBondContact O-N 2.93Å; T562-S565 PolarHBondContact O-N 3Å; I563-S565 VanDerWaalsContact C-N 3.3Å; I563-S565 PolarHBondContact O-N 2.98Å; S565-S569 WeakPolarHBondContact O-CB 3.48Å; S565-S569 PolarHBondContact O-N 2.85Å; S565-S569 VanDerWaalsContact O-N 3.14Å; S565-S569 PolarHBondContact O-OG 3.36Å
566F94.4Very high93.8Very high9 Ų929.9 Ų29.94%0.03915%0.15CC..Hα-helixtrans-60.7-54.1175.8174-81.2000110.7W496 G506 L508 F511 L529 T562 I563 N568 S569 F570W496-F566 HydrophobicContact CH2-CB 3.84Å; W496-F566 HydrophobicContact CH2-CD1 4.1Å; W496-F566 HydrophobicContact CH2-CD2 4.09Å; W496-F566 AromaticContact CH2-CG 3.77Å; W496-F566 HydrophobicContact CH2-CG 3.77Å; W496-F566 HydrophobicContact CZ2-CB 4.45Å; W496-F566 HydrophobicContact CZ3-CD1 4.45Å; G506-F566 WeakPolarHBondContact O-CE2 3.38Å; L508-F566 VanDerWaalsContact CA-CE2 3.44Å; L508-F566 HydrophobicContact CB-CD2 3.8Å; L508-F566 HydrophobicContact CB-CE2 3.77Å; L508-F566 HydrophobicContact CD1-CD2 4.06Å; L508-F566 HydrophobicContact CD1-CE2 3.99Å; L508-F566 HydrophobicContact CD1-CG 4.48Å; L508-F566 HydrophobicContact CD1-CZ 4.31Å; L508-F566 HydrophobicContact CG-CD2 4.48Å; F511-F566 HydrophobicContact CD2-CE2 4.17Å; F511-F566 AromaticContact CD2-CZ 3.86Å; F511-F566 HydrophobicContact CD2-CZ 3.86Å; F511-F566 HydrophobicContact CG-CZ 4.41Å; L529-F566 HydrophobicContact CD1-CE1 3.81Å; L529-F566 HydrophobicContact CD1-CZ 4.2Å; L529-F566 HydrophobicContact CD2-CE1 4.07Å; L529-F566 HydrophobicContact CD2-CZ 4.19Å; T562-F566 PolarHBondContact O-N 2.91Å; I563-F566 WeakPolarHBondContact O-CB 3.38Å; I563-F566 PolarHBondContact O-N 3.06Å; I563-F566 VanDerWaalsContact O-N 3.09Å; F566-N568 PolarHBondContact O-N 3.45Å; F566-S569 WeakPolarHBondContact O-CB 3.29Å; F566-S569 PolarHBondContact O-N 3.38Å; F566-F570 HydrophobicContact CE1-CB 4.44Å; F566-F570 WeakPolarHBondContact O-CB 3.39Å; F566-F570 PolarHBondContact O-N 3.3Å
567L96.3Very high93.8Very high0 Ų028.5 Ų28.50%015%0.148CC..Hα-helixtrans-63-43.8-176.6-61.5170.4000111.3I563 S564 S569 F570 V571 V594 W597 L598 L601I563-L567 HydrophobicContact CG2-CD1 3.61Å; I563-L567 HydrophobicContact CG2-CG 4.12Å; I563-L567 VanDerWaalsContact O-CG 3.28Å; I563-L567 WeakPolarHBondContact O-CG 3.32Å; I563-L567 PolarHBondContact O-N 3.48Å; S564-L567 PolarHBondContact O-N 2.95Å; L567-S569 VanDerWaalsContact C-N 3.27Å; L567-S569 PolarHBondContact O-N 3.04Å; L567-F570 PolarHBondContact O-N 2.86Å; L567-V571 WeakPolarHBondContact O-CB 3.31Å; L567-V571 VanDerWaalsContact O-CG2 3.31Å; L567-V571 WeakPolarHBondContact O-CG2 3.34Å; L567-V571 PolarHBondContact O-N 3.46Å; L567-V594 HydrophobicContact CB-CG1 4.39Å; L567-V594 HydrophobicContact CD2-CB 4.48Å; L567-V594 HydrophobicContact CD2-CG1 3.48Å; L567-V594 VanDerWaalsContact CD2-CG1 3.48Å; L567-W597 HydrophobicContact CD1-CB 4.17Å; L567-W597 HydrophobicContact CD1-CG 3.82Å; L567-L598 HydrophobicContact CB-CB 4.07Å; L567-L598 HydrophobicContact CB-CD1 3.97Å; L567-L601 HydrophobicContact CD1-CD1 4.07Å
568N95.6Very high93.7Very high1 Ų127.5 Ų27.51%0.00515%0.148CC..Hα-helixtrans-62.4-37.5179.8-164.630.5000111.2S564 F566 F572 L598 W616 H646 V647S564-N568 WeakPolarHBondContact O-CB 3.38Å; S564-N568 PolarHBondContact O-N 3.29Å; F566-N568 PolarHBondContact O-N 3.45Å; N568-F572 WeakPolarHBondContact O-CB 3.21Å; N568-F572 PolarHBondContact O-N 3.34Å; N568-L598 HydrophobicContact CB-CD1 3.77Å; N568-W616 PolarHBondContact ND2-O 2.96Å; N568-H646 PolarHBondContact OD1-NE2 2.98Å; N568-H646 VanDerWaalsContact OD1-NE2 3.1Å; N568-V647 WeakPolarHBondContact OD1-CG1 3.31Å
569S94.6Very high93.7Very high12 Ų1222.9 Ų22.98%0.08413%0.127CC..Hα-helixtrans-69-45174-54.40000112.2S565 F566 L567 K573 R618S565-S569 WeakPolarHBondContact O-CB 3.48Å; S565-S569 PolarHBondContact O-N 2.85Å; S565-S569 VanDerWaalsContact O-N 3.14Å; S565-S569 PolarHBondContact O-OG 3.36Å; F566-S569 WeakPolarHBondContact O-CB 3.29Å; F566-S569 PolarHBondContact O-N 3.38Å; L567-S569 VanDerWaalsContact C-N 3.27Å; L567-S569 PolarHBondContact O-N 3.04Å; S569-K573 WeakPolarHBondContact O-CB 2.9Å; S569-K573 WeakPolarHBondContact O-CG 3.39Å; S569-K573 PolarHBondContact O-N 3.05Å; S569-R618 PolarHBondContact OG-NH1 3.31Å
570F94.8Very high93.7Very high0 Ų021.7 Ų21.70%012%0.123CC..Hα-helixtrans-65.5-50.9-176.6-169.6-93.8000111.7L508 F511 L512 L515 L526 L529 F566 L567 F572 K573 M574 L590 V594L508-F570 HydrophobicContact CD1-CB 3.88Å; L508-F570 HydrophobicContact CD1-CD2 3.91Å; L508-F570 HydrophobicContact CD1-CG 4.41Å; F511-F570 HydrophobicContact CB-CD2 4.31Å; F511-F570 HydrophobicContact CB-CE2 3.6Å; F511-F570 HydrophobicContact CB-CZ 4.37Å; L512-F570 HydrophobicContact CD2-CD2 3.66Å; L512-F570 HydrophobicContact CD2-CE2 3.91Å; L512-F570 HydrophobicContact CD2-CG 4.41Å; L512-F570 HydrophobicContact CG-CD2 4.05Å; L512-F570 HydrophobicContact CG-CE2 4.3Å; L515-F570 HydrophobicContact CD1-CE1 4.27Å; L515-F570 HydrophobicContact CD1-CE2 3.92Å; L515-F570 HydrophobicContact CD1-CZ 3.66Å; L515-F570 HydrophobicContact CD2-CZ 4.12Å; L515-F570 HydrophobicContact CG-CE2 4.36Å; L515-F570 HydrophobicContact CG-CZ 3.95Å; L526-F570 HydrophobicContact CD2-CZ 4.39Å; L529-F570 HydrophobicContact CD2-CE1 4.28Å; L529-F570 HydrophobicContact CD2-CE2 4.38Å; L529-F570 HydrophobicContact CD2-CZ 4.08Å; F566-F570 HydrophobicContact CE1-CB 4.44Å; F566-F570 WeakPolarHBondContact O-CB 3.39Å; F566-F570 PolarHBondContact O-N 3.3Å; L567-F570 PolarHBondContact O-N 2.86Å; F570-F572 PolarHBondContact O-N 2.92Å; F570-K573 PolarHBondContact O-N 3.29Å; F570-M574 HydrophobicContact CD1-CG 4.12Å; F570-M574 HydrophobicContact CD1-SD 3.67Å; F570-M574 HydrophobicContact CE1-CG 4.02Å; F570-M574 HydrophobicContact CE1-SD 3.34Å; F570-M574 WeakPolarHBondContact CE1-SD 3.18Å; F570-M574 HydrophobicContact CZ-SD 4.28Å; F570-M574 WeakPolarHBondContact O-CG 3.47Å; F570-M574 PolarHBondContact O-N 2.63Å; F570-L590 HydrophobicContact CE1-CD2 4.33Å; F570-L590 HydrophobicContact CE1-CG 4.49Å; F570-L590 HydrophobicContact CZ-CD2 4.33Å; F570-V594 HydrophobicContact CD1-CG1 3.84Å; F570-V594 HydrophobicContact CD1-CG2 4.4Å; F570-V594 HydrophobicContact CE1-CG1 4.5Å; F570-V594 HydrophobicContact CE1-CG2 4.27Å
571V96Very high93.4Very high0 Ų024.8 Ų24.80%014%0.137CC..Hα-helixtrans-62.7-42.7178.71770000111L567 K573 M574 I575 F591 V594 L598 I644L567-V571 WeakPolarHBondContact O-CB 3.31Å; L567-V571 VanDerWaalsContact O-CG2 3.31Å; L567-V571 WeakPolarHBondContact O-CG2 3.34Å; L567-V571 PolarHBondContact O-N 3.46Å; V571-K573 VanDerWaalsContact C-N 3.32Å; V571-K573 PolarHBondContact O-N 3.42Å; V571-M574 PolarHBondContact O-N 2.85Å; V571-I575 HydrophobicContact CG1-CD1 4.08Å; V571-I575 WeakPolarHBondContact O-CG1 3.4Å; V571-I575 PolarHBondContact O-N 2.94Å; V571-I575 VanDerWaalsContact O-N 3.1Å; V571-F591 HydrophobicContact CG1-CE2 3.84Å; V571-V594 HydrophobicContact CG2-CB 4.26Å; V571-V594 HydrophobicContact CG2-CG1 3.54Å; V571-L598 HydrophobicContact CB-CD2 3.96Å; V571-L598 HydrophobicContact CG1-CD2 4.22Å; V571-L598 HydrophobicContact CG2-CD2 3.95Å; V571-I644 HydrophobicContact CG1-CD1 4.4Å; V571-I644 HydrophobicContact CG1-CG2 3.65Å
572F95.5Very high92.9Very high3 Ų329.6 Ų29.61%0.01316%0.162CC..Hα-helixtrans-57.6-45.6174.9171.8-102.3000111.5N568 F570 I575 W576 R618 L621 I640 I644N568-F572 WeakPolarHBondContact O-CB 3.21Å; N568-F572 PolarHBondContact O-N 3.34Å; F570-F572 PolarHBondContact O-N 2.92Å; F572-I575 PolarHBondContact O-N 3.02Å; F572-W576 HydrophobicContact CE1-CB 4.24Å; F572-W576 HydrophobicContact CE1-CG 4.32Å; F572-W576 HydrophobicContact CE2-CB 4.24Å; F572-W576 HydrophobicContact CE2-CD2 4.34Å; F572-W576 HydrophobicContact CE2-CE3 4.26Å; F572-W576 HydrophobicContact CE2-CG 4.38Å; F572-W576 HydrophobicContact CZ-CB 4.03Å; F572-W576 HydrophobicContact CZ-CD2 4.02Å; F572-W576 HydrophobicContact CZ-CE3 4.36Å; F572-W576 AromaticContact CZ-CG 3.89Å; F572-W576 HydrophobicContact CZ-CG 3.89Å; F572-W576 WeakPolarHBondContact O-CB 3.45Å; F572-W576 PolarHBondContact O-N 3.43Å; F572-R618 HydrophobicContact CB-CG 4.33Å; F572-R618 HydrophobicContact CD1-CG 4.39Å; F572-R618 HydrophobicContact CD2-CG 4.08Å; F572-R618 HydrophobicContact CG-CG 3.99Å; F572-L621 HydrophobicContact CE2-CB 4.12Å; F572-L621 HydrophobicContact CE2-CD1 4.37Å; F572-L621 HydrophobicContact CE2-CD2 4.13Å; F572-L621 HydrophobicContact CE2-CG 4.44Å; F572-L621 HydrophobicContact CZ-CB 4.07Å; F572-L621 HydrophobicContact CZ-CD1 4.48Å; F572-I640 HydrophobicContact CD2-CD1 4.1Å; F572-I640 HydrophobicContact CE2-CD1 3.75Å; F572-I644 HydrophobicContact CB-CD1 3.97Å; F572-I644 HydrophobicContact CD2-CD1 4.19Å
573K93.7Very high92.5Very high70 Ų7027.3 Ų27.330%0.30415%0.149SC..Hα-helixtrans-64.8-44178.4-80.6-73.5-177.6178.50112.8L512 S569 F570 V571 I575 W576 D577L512-K573 HydrophobicContact CD1-CB 4.41Å; L512-K573 HydrophobicContact CD1-CG 4.14Å; L512-K573 HydrophobicContact CD2-CB 3.66Å; L512-K573 HydrophobicContact CD2-CG 4.3Å; S569-K573 WeakPolarHBondContact O-CB 2.9Å; S569-K573 WeakPolarHBondContact O-CG 3.39Å; S569-K573 PolarHBondContact O-N 3.05Å; F570-K573 PolarHBondContact O-N 3.29Å; V571-K573 VanDerWaalsContact C-N 3.32Å; V571-K573 PolarHBondContact O-N 3.42Å; K573-I575 VanDerWaalsContact C-N 3.25Å; K573-I575 PolarHBondContact O-N 2.97Å; K573-W576 PolarHBondContact O-N 3.47Å; K573-D577 WeakPolarHBondContact CD-OD2 3.1Å; K573-D577 IonicContact NZ-OD1 2.78Å; K573-D577 IonicContact NZ-OD2 2.73Å; K573-D577 VanDerWaalsContact O-CB 3.28Å; K573-D577 WeakPolarHBondContact O-CB 3.35Å; K573-D577 PolarHBondContact O-N 3.46Å
574M94.1Very high92Very high0 Ų035.6 Ų35.60%019%0.185CC..Hα-helixtrans-55-41.5174.6-71-175.379.700112.4L515 F570 V571 I579 V580 T587 L590 F591L515-M574 HydrophobicContact CD1-CG 3.61Å; L515-M574 HydrophobicContact CD1-SD 4.41Å; L515-M574 HydrophobicContact CD2-CE 4.17Å; F570-M574 HydrophobicContact CD1-CG 4.12Å; F570-M574 HydrophobicContact CD1-SD 3.67Å; F570-M574 HydrophobicContact CE1-CG 4.02Å; F570-M574 HydrophobicContact CE1-SD 3.34Å; F570-M574 WeakPolarHBondContact CE1-SD 3.18Å; F570-M574 HydrophobicContact CZ-SD 4.28Å; F570-M574 WeakPolarHBondContact O-CG 3.47Å; F570-M574 PolarHBondContact O-N 2.63Å; V571-M574 PolarHBondContact O-N 2.85Å; M574-I579 WeakPolarHBondContact O-CB 3.44Å; M574-I579 PolarHBondContact O-N 3.4Å; M574-V580 HydrophobicContact CB-CG2 3.84Å; M574-V580 PolarHBondContact O-N 3.18Å; M574-T587 HydrophobicContact CE-CG2 4.4Å; M574-L590 HydrophobicContact CE-CD2 4.22Å; M574-L590 HydrophobicContact CE-CG 4.45Å; M574-F591 HydrophobicContact CE-CB 3.91Å; M574-F591 HydrophobicContact CE-CD2 4.29Å; M574-F591 HydrophobicContact SD-CD2 4.21Å
575I94.6Very high91.5Very high0 Ų037.9 Ų37.90%021%0.209CC..Hα-helixtrans-76.3-49.1179.2-63.5170000111.2V571 F572 K573 D577 G578 V580 F591 R636 L639 I640 I644V571-I575 HydrophobicContact CG1-CD1 4.08Å; V571-I575 WeakPolarHBondContact O-CG1 3.4Å; V571-I575 PolarHBondContact O-N 2.94Å; V571-I575 VanDerWaalsContact O-N 3.1Å; F572-I575 PolarHBondContact O-N 3.02Å; K573-I575 VanDerWaalsContact C-N 3.25Å; K573-I575 PolarHBondContact O-N 2.97Å; I575-D577 PolarHBondContact O-N 3.34Å; I575-G578 PolarHBondContact O-N 2.87Å; I575-G578 VanDerWaalsContact O-N 3.14Å; I575-V580 HydrophobicContact CG1-CB 4.36Å; I575-V580 HydrophobicContact CG1-CG2 3.84Å; I575-F591 HydrophobicContact CD1-CE2 3.97Å; I575-F591 HydrophobicContact CD1-CZ 4.15Å; I575-F591 HydrophobicContact CG1-CE2 3.89Å; I575-F591 HydrophobicContact CG1-CZ 4.36Å; I575-R636 WeakPolarHBondContact CG2-O 3.48Å; I575-R636 WeakPolarHBondContact O-CB 3.42Å; I575-L639 HydrophobicContact CG2-CB 3.56Å; I575-L639 HydrophobicContact CG2-CD1 4.46Å; I575-I640 HydrophobicContact CB-CG1 4.5Å; I575-I640 HydrophobicContact CG2-CG1 3.75Å; I575-I644 HydrophobicContact CD1-CD1 3.87Å; I575-I644 HydrophobicContact CD1-CG1 3.87Å
576W93Very high91.1Very high43 Ų4341 Ų4116%0.16322%0.218CC..Hα-helixtrans-67.5-35.8-172.2-170.2-101.7000113.4F572 K573 G578 L621 V625 R636 I640F572-W576 HydrophobicContact CE1-CB 4.24Å; F572-W576 HydrophobicContact CE1-CG 4.32Å; F572-W576 HydrophobicContact CE2-CB 4.24Å; F572-W576 HydrophobicContact CE2-CD2 4.34Å; F572-W576 HydrophobicContact CE2-CE3 4.26Å; F572-W576 HydrophobicContact CE2-CG 4.38Å; F572-W576 HydrophobicContact CZ-CB 4.03Å; F572-W576 HydrophobicContact CZ-CD2 4.02Å; F572-W576 HydrophobicContact CZ-CE3 4.36Å; F572-W576 AromaticContact CZ-CG 3.89Å; F572-W576 HydrophobicContact CZ-CG 3.89Å; F572-W576 WeakPolarHBondContact O-CB 3.45Å; F572-W576 PolarHBondContact O-N 3.43Å; K573-W576 PolarHBondContact O-N 3.47Å; W576-G578 PolarHBondContact O-N 3.32Å; W576-L621 HydrophobicContact CE3-CD1 4.17Å; W576-L621 HydrophobicContact CH2-CD1 3.49Å; W576-L621 VanDerWaalsContact CH2-CD1 3.49Å; W576-L621 HydrophobicContact CZ2-CD1 4.16Å; W576-L621 HydrophobicContact CZ3-CD1 3.5Å; W576-V625 HydrophobicContact CH2-CG1 4.15Å; W576-V625 HydrophobicContact CZ2-CG1 4.26Å; W576-R636 WeakPolarHBondContact O-CD 3.38Å; W576-I640 HydrophobicContact CE3-CD1 3.47Å; W576-I640 VanDerWaalsContact CE3-CD1 3.47Å; W576-I640 HydrophobicContact CZ3-CD1 3.86Å
577D91.8Very high90.8Very high91 Ų9143.1 Ų43.149%0.48723%0.232SC..THydrogen-bonded Turntrans-84.32.7178.2-59.3-15.6000111.8K573 I575K573-D577 WeakPolarHBondContact CD-OD2 3.1Å; K573-D577 IonicContact NZ-OD1 2.78Å; K573-D577 IonicContact NZ-OD2 2.73Å; K573-D577 VanDerWaalsContact O-CB 3.28Å; K573-D577 WeakPolarHBondContact O-CB 3.35Å; K573-D577 PolarHBondContact O-N 3.46Å; I575-D577 PolarHBondContact O-N 3.34Å
578G89.4Confident90.5Very high21 Ų2146.2 Ų46.222%0.21625%0.248CC..THydrogen-bonded Turntrans82.99.5170.500000115.9I575 W576 E581I575-G578 PolarHBondContact O-N 2.87Å; I575-G578 VanDerWaalsContact O-N 3.14Å; W576-G578 PolarHBondContact O-N 3.32Å; G578-E581 PolarHBondContact O-N 3.28Å
579I89.4Confident90.3Very high35 Ų3549.9 Ų49.918%0.17927%0.265CS..THydrogen-bonded Turntrans-65.9-40.9-177.7-59.3172.9000110.7L515 M574 E581 A583 T587L515-I579 HydrophobicContact CB-CD1 4.02Å; L515-I579 HydrophobicContact CD1-CD1 3.91Å; M574-I579 WeakPolarHBondContact O-CB 3.44Å; M574-I579 PolarHBondContact O-N 3.4Å; I579-E581 VanDerWaalsContact C-N 3.31Å; I579-E581 PolarHBondContact O-N 2.95Å; I579-A583 PolarHBondContact O-N 3Å; I579-T587 HydrophobicContact CG2-CG2 3.81Å
580V91.1Very high90.3Very high17 Ų1749.4 Ų49.410%0.10326%0.262CS..G310 helixtrans-68-29.5-178.3-179.80000112.5M574 I575 N582 A583 F591 L639M574-V580 HydrophobicContact CB-CG2 3.84Å; M574-V580 PolarHBondContact O-N 3.18Å; I575-V580 HydrophobicContact CG1-CB 4.36Å; I575-V580 HydrophobicContact CG1-CG2 3.84Å; V580-N582 PolarHBondContact O-N 3.23Å; V580-N582 VanDerWaalsContact O-N 3.15Å; V580-A583 PolarHBondContact O-N 3.49Å; V580-F591 HydrophobicContact CG1-CD1 4.43Å; V580-F591 HydrophobicContact CG1-CD2 4.43Å; V580-F591 HydrophobicContact CG1-CE1 4.31Å; V580-F591 HydrophobicContact CG1-CE2 4.29Å; V580-F591 HydrophobicContact CG1-CG 4.49Å; V580-F591 HydrophobicContact CG1-CZ 4.23Å; V580-F591 HydrophobicContact CG2-CD2 3.47Å; V580-F591 VanDerWaalsContact CG2-CD2 3.47Å; V580-F591 HydrophobicContact CG2-CE2 3.62Å; V580-F591 HydrophobicContact CG2-CG 4.1Å; V580-F591 HydrophobicContact CG2-CZ 4.36Å; V580-L639 HydrophobicContact CB-CD1 4.27Å; V580-L639 HydrophobicContact CG1-CD1 4.1Å
581E87.6Confident90.4Very high69 Ų6949.6 Ų49.632%0.32226%0.263SS..G310 helixtrans-60.3-29.9-176.4-63.5-171.6-170.600113G578 I579 K635 R636 L639G578-E581 PolarHBondContact O-N 3.28Å; I579-E581 VanDerWaalsContact C-N 3.31Å; I579-E581 PolarHBondContact O-N 2.95Å; E581-K635 VanDerWaalsContact CD-CB 3.44Å; E581-K635 HydrophobicContact CG-CB 4.04Å; E581-K635 VanDerWaalsContact OE1-CB 3.32Å; E581-K635 WeakPolarHBondContact OE1-CB 3.29Å; E581-R636 WeakPolarHBondContact OE1-CA 3.33Å; E581-R636 WeakPolarHBondContact OE1-CB 3.45Å; E581-R636 PolarHBondContact OE1-N 3.3Å; E581-L639 HydrophobicContact CG-CD1 3.81Å
582N82.3Confident90.2Very high131 Ų13155 Ų5570%0.70129%0.288SS*.G310 helixtrans-117.910.1-178.3-61.9-50.3000113V580 K584V580-N582 PolarHBondContact O-N 3.23Å; V580-N582 VanDerWaalsContact O-N 3.15Å; N582-K584 PolarHBondContact O-N 2.9Å
583A84.9Confident90.2Very high18 Ų1855.2 Ų55.215%0.14929%0.29CS..  trans-63.3130.8-174.400000111.9I579 V580 T587 L588I579-A583 PolarHBondContact O-N 3Å; V580-A583 PolarHBondContact O-N 3.49Å; A583-T587 HydrophobicContact CB-CG2 4.08Å; A583-L588 HydrophobicContact CB-CB 4.24Å; A583-L588 HydrophobicContact CB-CD1 4.5Å
584K83.9Confident90.3Very high174 Ų17451.9 Ų51.976%0.75728%0.275SS*.  trans-140.9155.9175.3-65-179-176.1176.70109.2N582 E586 T587N582-K584 PolarHBondContact O-N 2.9Å; K584-E586 PolarHBondContact O-N 3.25Å; K584-T587 PolarHBondContact O-N 3.27Å
585G85.5Confident90.4Very high49 Ų4953 Ų5351%0.50528%0.28SS..THydrogen-bonded Turntrans56-131.9178.400000112.1T587 L588 E589G585-T587 VanDerWaalsContact C-N 3.31Å; G585-T587 PolarHBondContact O-N 2.99Å; G585-L588 WeakPolarHBondContact O-CB 3.23Å; G585-L588 PolarHBondContact O-N 3.5Å; G585-E589 PolarHBondContact O-N 3.48Å; G585-E589 VanDerWaalsContact O-N 3.14Å
586E84.6Confident90.3Very high117 Ų11753 Ų5355%0.54728%0.281SS..Hα-helixtrans-55.8-37.7-174.8-64.4174.4-173.400113.7K584 L588 E589 L590K584-E586 PolarHBondContact O-N 3.25Å; E586-L588 VanDerWaalsContact C-N 3.29Å; E586-L588 PolarHBondContact O-N 3.07Å; E586-E589 PolarHBondContact O-N 2.97Å; E586-L590 WeakPolarHBondContact O-CB 3.44Å; E586-L590 PolarHBondContact O-N 3.16Å
587T88.8Confident90.4Very high54 Ų5451 Ų5133%0.33127%0.273SS..Hα-helixtrans-65.3-35178.8-46.50000112.2M574 I579 A583 K584 G585 F591M574-T587 HydrophobicContact CE-CG2 4.4Å; I579-T587 HydrophobicContact CG2-CG2 3.81Å; A583-T587 HydrophobicContact CB-CG2 4.08Å; K584-T587 PolarHBondContact O-N 3.27Å; G585-T587 VanDerWaalsContact C-N 3.31Å; G585-T587 PolarHBondContact O-N 2.99Å; T587-F591 PolarHBondContact O-N 3.45Å; T587-F591 VanDerWaalsContact O-N 3.09Å
588L90.6Very high90.6Very high65 Ų6546.6 Ų46.634%0.3425%0.25SC..Hα-helixtrans-72.9-40.9176.5-179.664.6000110.8A583 G585 E586 L590 F591 Q592A583-L588 HydrophobicContact CB-CB 4.24Å; A583-L588 HydrophobicContact CB-CD1 4.5Å; G585-L588 WeakPolarHBondContact O-CB 3.23Å; G585-L588 PolarHBondContact O-N 3.5Å; E586-L588 VanDerWaalsContact C-N 3.29Å; E586-L588 PolarHBondContact O-N 3.07Å; L588-L590 VanDerWaalsContact C-N 3.35Å; L588-F591 PolarHBondContact O-N 3Å; L588-Q592 WeakPolarHBondContact O-CG 3.11Å; L588-Q592 PolarHBondContact O-N 3.44Å
589E91.3Very high90.7Very high78 Ų7846.6 Ų46.636%0.36424%0.244SC..Hα-helixtrans-61.6-43.9175.2-66.2179.8176.300111M530 G585 E586 F591 Q592 S593M530-E589 HydrophobicContact CE-CB 3.64Å; G585-E589 PolarHBondContact O-N 3.48Å; G585-E589 VanDerWaalsContact O-N 3.14Å; E586-E589 PolarHBondContact O-N 2.97Å; E589-F591 PolarHBondContact O-N 3.27Å; E589-Q592 PolarHBondContact O-N 3.19Å; E589-S593 PolarHBondContact O-N 3.37Å; E589-S593 PolarHBondContact O-OG 3.4Å
590L94.4Very high90.8Very high3 Ų345.1 Ų45.12%0.01624%0.237CC..Hα-helixtrans-56.3-49.7172.7172.868.3000111.8L515 L526 L529 M530 F570 M574 E586 L588 Q592 S593 V594L515-L590 HydrophobicContact CD2-CD2 3.5Å; L526-L590 HydrophobicContact CB-CD2 4.41Å; L526-L590 HydrophobicContact CD1-CD2 4.18Å; L526-L590 HydrophobicContact CD2-CD1 4.48Å; L526-L590 HydrophobicContact CD2-CD2 3.78Å; L526-L590 HydrophobicContact CG-CD2 4.34Å; L529-L590 HydrophobicContact CD2-CD1 4.45Å; M530-L590 HydrophobicContact CG-CB 4Å; M530-L590 HydrophobicContact CG-CD1 3.38Å; M530-L590 HydrophobicContact CG-CG 4.29Å; M530-L590 HydrophobicContact SD-CB 3.74Å; M530-L590 HydrophobicContact SD-CD1 4.12Å; F570-L590 HydrophobicContact CE1-CD2 4.33Å; F570-L590 HydrophobicContact CE1-CG 4.49Å; F570-L590 HydrophobicContact CZ-CD2 4.33Å; M574-L590 HydrophobicContact CE-CD2 4.22Å; M574-L590 HydrophobicContact CE-CG 4.45Å; E586-L590 WeakPolarHBondContact O-CB 3.44Å; E586-L590 PolarHBondContact O-N 3.16Å; L588-L590 VanDerWaalsContact C-N 3.35Å; L590-Q592 VanDerWaalsContact C-N 3.29Å; L590-Q592 PolarHBondContact O-N 2.99Å; L590-S593 PolarHBondContact O-N 3.04Å; L590-V594 HydrophobicContact CD1-CG2 3.78Å; L590-V594 HydrophobicContact CG-CG2 4.41Å; L590-V594 VanDerWaalsContact O-CG2 3.32Å; L590-V594 WeakPolarHBondContact O-CG2 3.03Å; L590-V594 PolarHBondContact O-N 2.91Å
591F95.1Very high90.9Very high4 Ų444.4 Ų44.42%0.01823%0.232CC..Hα-helixtrans-57.7-45.4177.8177.1-100.5000110.9V571 M574 I575 V580 T587 L588 E589 H595 Y643V571-F591 HydrophobicContact CG1-CE2 3.84Å; M574-F591 HydrophobicContact CE-CB 3.91Å; M574-F591 HydrophobicContact CE-CD2 4.29Å; M574-F591 HydrophobicContact SD-CD2 4.21Å; I575-F591 HydrophobicContact CD1-CE2 3.97Å; I575-F591 HydrophobicContact CD1-CZ 4.15Å; I575-F591 HydrophobicContact CG1-CE2 3.89Å; I575-F591 HydrophobicContact CG1-CZ 4.36Å; V580-F591 HydrophobicContact CG1-CD1 4.43Å; V580-F591 HydrophobicContact CG1-CD2 4.43Å; V580-F591 HydrophobicContact CG1-CE1 4.31Å; V580-F591 HydrophobicContact CG1-CE2 4.29Å; V580-F591 HydrophobicContact CG1-CG 4.49Å; V580-F591 HydrophobicContact CG1-CZ 4.23Å; V580-F591 HydrophobicContact CG2-CD2 3.47Å; V580-F591 VanDerWaalsContact CG2-CD2 3.47Å; V580-F591 HydrophobicContact CG2-CE2 3.62Å; V580-F591 HydrophobicContact CG2-CG 4.1Å; V580-F591 HydrophobicContact CG2-CZ 4.36Å; T587-F591 PolarHBondContact O-N 3.45Å; T587-F591 VanDerWaalsContact O-N 3.09Å; L588-F591 PolarHBondContact O-N 3Å; E589-F591 PolarHBondContact O-N 3.27Å; F591-H595 HydrophobicContact CE1-CB 4.26Å; F591-H595 HydrophobicContact CE2-CB 4.4Å; F591-H595 HydrophobicContact CZ-CB 4.19Å; F591-H595 WeakPolarHBondContact O-CA 3.38Å; F591-H595 WeakPolarHBondContact O-CB 3.49Å; F591-H595 PolarHBondContact O-N 3.04Å; F591-Y643 HydrophobicContact CE1-CD1 4.07Å; F591-Y643 HydrophobicContact CE1-CD2 4.19Å; F591-Y643 HydrophobicContact CE1-CE1 4.05Å; F591-Y643 HydrophobicContact CE1-CE2 4.14Å; F591-Y643 HydrophobicContact CE1-CG 4.15Å; F591-Y643 HydrophobicContact CZ-CD1 4.13Å; F591-Y643 AromaticContact CZ-CD2 3.86Å; F591-Y643 HydrophobicContact CZ-CD2 3.86Å; F591-Y643 HydrophobicContact CZ-CE2 4.24Å; F591-Y643 AromaticContact CZ-CG 3.8Å; F591-Y643 HydrophobicContact CZ-CG 3.8Å
592Q93.4Very high91.1Very high114 Ų11442.1 Ų42.153%0.53322%0.221SC..Hα-helixtrans-62.2-43.3178.8-71.9174.3-0.500112.8L588 E589 L590 G596L588-Q592 WeakPolarHBondContact O-CG 3.11Å; L588-Q592 PolarHBondContact O-N 3.44Å; E589-Q592 PolarHBondContact O-N 3.19Å; L590-Q592 VanDerWaalsContact C-N 3.29Å; L590-Q592 PolarHBondContact O-N 2.99Å; Q592-G596 WeakPolarHBondContact O-CA 3.4Å; Q592-G596 PolarHBondContact O-N 3.41Å
593S94.4Very high91.3Very high7 Ų737.9 Ų37.95%0.04920%0.197CC..Hα-helixtrans-65.3-47.8178.5-59.50000111.7C533 D534 E589 L590 W597C533-S593 WeakPolarHBondContact CB-O 3.31Å; D534-S593 PolarHBondContact OD1-OG 3.11Å; D534-S593 PolarHBondContact OD2-OG 2.88Å; E589-S593 PolarHBondContact O-N 3.37Å; E589-S593 PolarHBondContact O-OG 3.4Å; L590-S593 PolarHBondContact O-N 3.04Å; S593-W597 PolarHBondContact O-N 2.8Å; S593-W597 VanDerWaalsContact O-N 3.08Å
594V96.3Very high91.4Very high0 Ų037.4 Ų37.40%019%0.191CC..Hα-helixtrans-72.1-45.1-177.3-178.20000111.5L529 L567 F570 V571 L590 G596 W597 L598L529-V594 HydrophobicContact CD2-CG2 4.3Å; L529-V594 HydrophobicContact CG-CG2 4.34Å; L567-V594 HydrophobicContact CB-CG1 4.39Å; L567-V594 HydrophobicContact CD2-CB 4.48Å; L567-V594 HydrophobicContact CD2-CG1 3.48Å; L567-V594 VanDerWaalsContact CD2-CG1 3.48Å; F570-V594 HydrophobicContact CD1-CG1 3.84Å; F570-V594 HydrophobicContact CD1-CG2 4.4Å; F570-V594 HydrophobicContact CE1-CG1 4.5Å; F570-V594 HydrophobicContact CE1-CG2 4.27Å; V571-V594 HydrophobicContact CG2-CB 4.26Å; V571-V594 HydrophobicContact CG2-CG1 3.54Å; L590-V594 HydrophobicContact CD1-CG2 3.78Å; L590-V594 HydrophobicContact CG-CG2 4.41Å; L590-V594 VanDerWaalsContact O-CG2 3.32Å; L590-V594 WeakPolarHBondContact O-CG2 3.03Å; L590-V594 PolarHBondContact O-N 2.91Å; V594-G596 VanDerWaalsContact C-N 3.34Å; V594-W597 PolarHBondContact O-N 2.95Å; V594-L598 WeakPolarHBondContact O-CB 3.26Å; V594-L598 PolarHBondContact O-N 3.17Å
595H95.5Very high91.8Very high22 Ų2229.9 Ų29.910%0.10216%0.159CC..Hα-helixtrans-61.6-44.1175.1174-105.3000110.9F591 W597 L598 M599 Y643F591-H595 HydrophobicContact CE1-CB 4.26Å; F591-H595 HydrophobicContact CE2-CB 4.4Å; F591-H595 HydrophobicContact CZ-CB 4.19Å; F591-H595 WeakPolarHBondContact O-CA 3.38Å; F591-H595 WeakPolarHBondContact O-CB 3.49Å; F591-H595 PolarHBondContact O-N 3.04Å; H595-W597 VanDerWaalsContact C-N 3.31Å; H595-W597 PolarHBondContact O-N 3.11Å; H595-L598 WeakPolarHBondContact O-CB 3.44Å; H595-L598 PolarHBondContact O-N 3.16Å; H595-M599 VanDerWaalsContact CE1-CG 3.49Å; H595-M599 WeakPolarHBondContact CE1-CG 3.48Å; H595-M599 VanDerWaalsContact NE2-CG 3.26Å; H595-M599 WeakPolarHBondContact NE2-CG 3.42Å; H595-M599 WeakPolarHBondContact O-CG 3.43Å; H595-M599 PolarHBondContact O-N 3.14Å; H595-Y643 AromaticContact CE1-CD1 3.76Å; H595-Y643 AromaticContact NE2-CD1 3.95Å; H595-Y643 PolarHBondContact NE2-O 2.99Å
596G93.4Very high91.8Very high1 Ų129.2 Ų29.21%0.0115%0.147CC..Hα-helixtrans-62-40.6179.300000112.6Q592 V594 M599 V600 F812Q592-G596 WeakPolarHBondContact O-CA 3.4Å; Q592-G596 PolarHBondContact O-N 3.41Å; V594-G596 VanDerWaalsContact C-N 3.34Å; G596-M599 PolarHBondContact O-N 3.37Å; G596-V600 WeakPolarHBondContact O-CG2 3.22Å; G596-V600 PolarHBondContact O-N 3.2Å; G596-F812 VanDerWaalsContact CA-CZ 3.43Å
597W94.8Very high91.7Very high0 Ų026.9 Ų26.90%013%0.133CC..Hα-helixtrans-68.7-40.6176.3-173.5-149.8000112.4C533 R537 I540 L560 L567 S593 V594 H595 M599 V600 L601C533-W597 HydrophobicContact CB-CB 4.01Å; C533-W597 HydrophobicContact CB-CG 4.44Å; R537-W597 VanDerWaalsContact CA-CE3 3.42Å; R537-W597 HydrophobicContact CB-CB 4.32Å; R537-W597 HydrophobicContact CB-CD2 4.31Å; R537-W597 HydrophobicContact CB-CE3 3.83Å; R537-W597 HydrophobicContact CG-CE3 4.38Å; I540-W597 HydrophobicContact CB-CH2 3.61Å; I540-W597 HydrophobicContact CB-CZ3 3.66Å; I540-W597 HydrophobicContact CD1-CH2 4.28Å; I540-W597 HydrophobicContact CG1-CH2 3.45Å; I540-W597 VanDerWaalsContact CG1-CH2 3.45Å; I540-W597 HydrophobicContact CG1-CZ2 4.29Å; I540-W597 HydrophobicContact CG1-CZ3 4.05Å; I540-W597 HydrophobicContact CG2-CH2 3.79Å; I540-W597 HydrophobicContact CG2-CZ3 3.76Å; L560-W597 HydrophobicContact CD2-CZ2 4.38Å; L567-W597 HydrophobicContact CD1-CB 4.17Å; L567-W597 HydrophobicContact CD1-CG 3.82Å; S593-W597 PolarHBondContact O-N 2.8Å; S593-W597 VanDerWaalsContact O-N 3.08Å; V594-W597 PolarHBondContact O-N 2.95Å; H595-W597 VanDerWaalsContact C-N 3.31Å; H595-W597 PolarHBondContact O-N 3.11Å; W597-M599 VanDerWaalsContact C-N 3.34Å; W597-M599 PolarHBondContact O-N 3.12Å; W597-V600 HydrophobicContact CE3-CB 3.99Å; W597-V600 HydrophobicContact CE3-CG1 4.17Å; W597-V600 HydrophobicContact CZ3-CB 4.03Å; W597-V600 HydrophobicContact CZ3-CG1 3.71Å; W597-V600 PolarHBondContact O-N 3.1Å; W597-L601 HydrophobicContact CD2-CD1 4.33Å; W597-L601 HydrophobicContact CD2-CG 4.27Å; W597-L601 HydrophobicContact CE3-CG 4.19Å; W597-L601 HydrophobicContact CH2-CD1 4.23Å; W597-L601 HydrophobicContact CH2-CD2 3.31Å; W597-L601 HydrophobicContact CH2-CG 3.68Å; W597-L601 HydrophobicContact CZ2-CD1 3.86Å; W597-L601 HydrophobicContact CZ2-CD2 3.69Å; W597-L601 HydrophobicContact CZ2-CG 3.85Å; W597-L601 HydrophobicContact CZ3-CD2 3.9Å; W597-L601 HydrophobicContact CZ3-CG 3.91Å; W597-L601 PolarHBondContact O-N 3.03Å
598L96.3Very high91.6Very high0 Ų029.1 Ų29.10%014%0.135CC..Hα-helixtrans-56.1-46.8174.1176.363.5000112.2L567 N568 V571 V594 H595 L601 Y602 W616 I644L567-L598 HydrophobicContact CB-CB 4.07Å; L567-L598 HydrophobicContact CB-CD1 3.97Å; N568-L598 HydrophobicContact CB-CD1 3.77Å; V571-L598 HydrophobicContact CB-CD2 3.96Å; V571-L598 HydrophobicContact CG1-CD2 4.22Å; V571-L598 HydrophobicContact CG2-CD2 3.95Å; V594-L598 WeakPolarHBondContact O-CB 3.26Å; V594-L598 PolarHBondContact O-N 3.17Å; H595-L598 WeakPolarHBondContact O-CB 3.44Å; H595-L598 PolarHBondContact O-N 3.16Å; L598-L601 PolarHBondContact O-N 3.05Å; L598-Y602 PolarHBondContact O-N 3.37Å; L598-W616 HydrophobicContact CD1-CE3 4.46Å; L598-W616 HydrophobicContact CD1-CZ3 3.68Å; L598-I644 HydrophobicContact CD2-CG2 3.9Å
599M92.2Very high91.5Very high21 Ų2132.7 Ų32.710%0.10314%0.144CC..Hα-helixtrans-69.8-37.1-176.2-66.9-48.6-60.500112.6H595 G596 W597 L601 Y602 E603 F812H595-M599 VanDerWaalsContact CE1-CG 3.49Å; H595-M599 WeakPolarHBondContact CE1-CG 3.48Å; H595-M599 VanDerWaalsContact NE2-CG 3.26Å; H595-M599 WeakPolarHBondContact NE2-CG 3.42Å; H595-M599 WeakPolarHBondContact O-CG 3.43Å; H595-M599 PolarHBondContact O-N 3.14Å; G596-M599 PolarHBondContact O-N 3.37Å; W597-M599 VanDerWaalsContact C-N 3.34Å; W597-M599 PolarHBondContact O-N 3.12Å; M599-L601 VanDerWaalsContact C-N 3.31Å; M599-L601 PolarHBondContact O-N 3.07Å; M599-Y602 HydrophobicContact CE-CD1 3.76Å; M599-Y602 HydrophobicContact CE-CE1 4.44Å; M599-Y602 PolarHBondContact O-N 2.79Å; M599-E603 WeakPolarHBondContact O-CB 2.92Å; M599-E603 WeakPolarHBondContact O-CG 3.36Å; M599-E603 PolarHBondContact O-N 3.34Å; M599-F812 HydrophobicContact CB-CD2 3.8Å; M599-F812 HydrophobicContact CB-CE2 3.92Å; M599-F812 HydrophobicContact CB-CG 4.25Å; M599-F812 HydrophobicContact CB-CZ 4.45Å; M599-F812 HydrophobicContact CG-CE2 4.27Å
600V90.8Very high91.6Very high4 Ų430.5 Ų30.52%0.02413%0.133CC..Hα-helixtrans-60.5-42.8173.9171.30000111.1R537 I540 T541 G596 W597 R604 F812R537-V600 HydrophobicContact CG-CG2 3.98Å; I540-V600 HydrophobicContact CG2-CG1 3.99Å; T541-V600 HydrophobicContact CG2-CG1 4.21Å; T541-V600 HydrophobicContact CG2-CG2 4.21Å; G596-V600 WeakPolarHBondContact O-CG2 3.22Å; G596-V600 PolarHBondContact O-N 3.2Å; W597-V600 HydrophobicContact CE3-CB 3.99Å; W597-V600 HydrophobicContact CE3-CG1 4.17Å; W597-V600 HydrophobicContact CZ3-CB 4.03Å; W597-V600 HydrophobicContact CZ3-CG1 3.71Å; W597-V600 PolarHBondContact O-N 3.1Å; V600-R604 WeakPolarHBondContact O-CB 3.5Å; V600-R604 WeakPolarHBondContact O-CG 3.32Å; V600-R604 PolarHBondContact O-N 2.86Å; V600-R604 VanDerWaalsContact O-N 3.07Å; V600-F812 HydrophobicContact CG2-CB 4.01Å; V600-F812 HydrophobicContact CG2-CD1 3.61Å; V600-F812 HydrophobicContact CG2-CG 4.12Å
601L92.9Very high91.6Very high1 Ų130.5 Ų30.51%0.00513%0.134CC..Hα-helixtrans-65.1-42175.9-69.2177.3000112.3L560 I563 L567 W597 L598 M599 R604 D605 F610 W616L560-L601 HydrophobicContact CB-CD2 4.42Å; L560-L601 HydrophobicContact CD1-CD2 4.48Å; L560-L601 HydrophobicContact CD2-CD2 4.06Å; I563-L601 HydrophobicContact CG2-CD1 3.95Å; L567-L601 HydrophobicContact CD1-CD1 4.07Å; W597-L601 HydrophobicContact CD2-CD1 4.33Å; W597-L601 HydrophobicContact CD2-CG 4.27Å; W597-L601 HydrophobicContact CE3-CG 4.19Å; W597-L601 HydrophobicContact CH2-CD1 4.23Å; W597-L601 HydrophobicContact CH2-CD2 3.31Å; W597-L601 HydrophobicContact CH2-CG 3.68Å; W597-L601 HydrophobicContact CZ2-CD1 3.86Å; W597-L601 HydrophobicContact CZ2-CD2 3.69Å; W597-L601 HydrophobicContact CZ2-CG 3.85Å; W597-L601 HydrophobicContact CZ3-CD2 3.9Å; W597-L601 HydrophobicContact CZ3-CG 3.91Å; W597-L601 PolarHBondContact O-N 3.03Å; L598-L601 PolarHBondContact O-N 3.05Å; M599-L601 VanDerWaalsContact C-N 3.31Å; M599-L601 PolarHBondContact O-N 3.07Å; L601-R604 PolarHBondContact O-N 3.42Å; L601-D605 WeakPolarHBondContact O-CB 3.21Å; L601-D605 PolarHBondContact O-N 3.47Å; L601-F610 HydrophobicContact CD2-CZ 4.44Å; L601-W616 HydrophobicContact CB-CH2 4.07Å
602Y92.3Very high91.5Very high21 Ų2133.9 Ų33.98%0.08216%0.156CC..Hα-helixtrans-65.5-45.2178.5174.2-109.8000112.5L598 M599 R604 D605 C606 W616 H646L598-Y602 PolarHBondContact O-N 3.37Å; M599-Y602 HydrophobicContact CE-CD1 3.76Å; M599-Y602 HydrophobicContact CE-CE1 4.44Å; M599-Y602 PolarHBondContact O-N 2.79Å; Y602-R604 VanDerWaalsContact C-N 3.32Å; Y602-R604 PolarHBondContact O-N 3.2Å; Y602-D605 PolarHBondContact O-N 3.38Å; Y602-C606 VanDerWaalsContact CE2-SG 3.52Å; Y602-C606 PolarHBondContact O-N 3.14Å; Y602-C606 PolarHBondContact O-SG 3.07Å; Y602-W616 AromaticContact CD2-CD2 3.71Å; Y602-W616 HydrophobicContact CD2-CD2 3.71Å; Y602-W616 AromaticContact CD2-CE2 3.84Å; Y602-W616 HydrophobicContact CD2-CE3 4.04Å; Y602-W616 HydrophobicContact CD2-CG 4.01Å; Y602-W616 HydrophobicContact CD2-CZ2 4.28Å; Y602-W616 HydrophobicContact CD2-CZ3 4.44Å; Y602-W616 HydrophobicContact CE2-CD2 4.44Å; Y602-W616 HydrophobicContact CE2-CG 4.27Å; Y602-H646 HydrophobicContact CD1-CB 4.44Å; Y602-H646 HydrophobicContact CD2-CB 3.99Å; Y602-H646 HydrophobicContact CE1-CB 3.9Å; Y602-H646 HydrophobicContact CE2-CB 3.4Å; Y602-H646 VanDerWaalsContact CE2-CB 3.4Å; Y602-H646 AromaticContact CE2-CG 3.95Å; Y602-H646 HydrophobicContact CG-CB 4.47Å
603E86.6Confident91.3Very high42 Ų4235.2 Ų35.220%0.19616%0.162CC..Hα-helixtrans-62.9-40.9177.9-74-179.1-176.300110.9M599 C606 R607 F812M599-E603 WeakPolarHBondContact O-CB 2.92Å; M599-E603 WeakPolarHBondContact O-CG 3.36Å; M599-E603 PolarHBondContact O-N 3.34Å; E603-C606 WeakPolarHBondContact O-CB 3.38Å; E603-C606 PolarHBondContact O-N 2.99Å; E603-R607 PolarHBondContact O-N 3.3Å; E603-R607 VanDerWaalsContact O-N 3.16Å; E603-F812 VanDerWaalsContact OE2-CB 3.26Å; E603-F812 WeakPolarHBondContact OE2-CB 3.43Å
604R87.3Confident91.1Very high8 Ų840.5 Ų40.53%0.0319%0.19CC..Hα-helixtrans-62.6-45.1173.4-79-170165-119.7-0.9112.8I540 L543 D545 V548 Y549 V600 L601 Y602 C606 R607 R608 D817I540-R604 PolarHBondContact O-NH2 3.16Å; L543-R604 PolarHBondContact O-NH2 3.45Å; D545-R604 IonicContact OD1-NH1 2.94Å; V548-R604 VanDerWaalsContact CG2-NH1 3.35Å; Y549-R604 PolarHBondContact OH-O 3.47Å; V600-R604 WeakPolarHBondContact O-CB 3.5Å; V600-R604 WeakPolarHBondContact O-CG 3.32Å; V600-R604 PolarHBondContact O-N 2.86Å; V600-R604 VanDerWaalsContact O-N 3.07Å; L601-R604 PolarHBondContact O-N 3.42Å; Y602-R604 VanDerWaalsContact C-N 3.32Å; Y602-R604 PolarHBondContact O-N 3.2Å; R604-C606 VanDerWaalsContact C-N 3.27Å; R604-C606 PolarHBondContact O-N 3.14Å; R604-R607 PolarHBondContact O-N 3.43Å; R604-R607 VanDerWaalsContact O-N 3.14Å; R604-R608 PolarHBondContact O-N 3.41Å; R604-D817 IonicContact CZ-OD2 2.82Å; R604-D817 IonicContact NE-OD2 2.72Å; R604-D817 PolarHBondContact NE-OD2 3.46Å; R604-D817 IonicContact NH2-OD1 3.78Å; R604-D817 IonicContact NH2-OD2 3.71Å; R604-D817 PolarHBondContact NH2-OD2 3.11Å
605D90.8Very high91Very high16 Ų1642 Ų429%0.08620%0.197CC..Hα-helixtrans-62.8-34.8176.4-169.363.9000112.3L601 Y602 R607 R608 R609 F610 A611 W616L601-D605 WeakPolarHBondContact O-CB 3.21Å; L601-D605 PolarHBondContact O-N 3.47Å; Y602-D605 PolarHBondContact O-N 3.38Å; D605-R607 VanDerWaalsContact C-N 3.33Å; D605-R607 PolarHBondContact O-N 3.36Å; D605-R608 CarbonylContact O-C 3.19Å; D605-R609 VanDerWaalsContact O-CA 3.31Å; D605-R609 WeakPolarHBondContact O-CA 3.26Å; D605-R609 PolarHBondContact O-N 3.18Å; D605-R609 WeakPolarHBondContact OD1-CA 3.4Å; D605-F610 HydrophobicContact CB-CD1 3.99Å; D605-F610 HydrophobicContact CB-CE1 3.57Å; D605-F610 HydrophobicContact CB-CZ 4.19Å; D605-F610 WeakPolarHBondContact OD1-CD1 3.45Å; D605-F610 PolarHBondContact OD1-N 3.24Å; D605-A611 WeakPolarHBondContact OD1-CB 3.45Å; D605-A611 PolarHBondContact OD1-N 2.69Å; D605-W616 HydrophobicContact CB-CZ2 3.8Å; D605-W616 PolarHBondContact OD2-NE1 3.5Å
606C86.3Confident91Very high36 Ų3642 Ų4224%0.24320%0.197CC..Hα-helixtrans-65-33.8174.5-71.60000113.1Y602 E603 R604Y602-C606 VanDerWaalsContact CE2-SG 3.52Å; Y602-C606 PolarHBondContact O-N 3.14Å; Y602-C606 PolarHBondContact O-SG 3.07Å; E603-C606 WeakPolarHBondContact O-CB 3.38Å; E603-C606 PolarHBondContact O-N 2.99Å; R604-C606 VanDerWaalsContact C-N 3.27Å; R604-C606 PolarHBondContact O-N 3.14Å
607R82.9Confident91Very high67 Ų6744.3 Ų44.325%0.25321%0.208SC..Hα-helixtrans-76.7-53.5175.5-65.3-170-54.8106.60.9111.2D545 E603 R604 D605 D817 E818D545-R607 IonicContact OD1-CZ 3.52Å; D545-R607 IonicContact OD1-NH1 3.77Å; D545-R607 PolarHBondContact OD1-NH1 3.24Å; D545-R607 IonicContact OD1-NH2 3.61Å; D545-R607 PolarHBondContact OD1-NH2 2.92Å; D545-R607 IonicContact OD2-CZ 2.69Å; D545-R607 IonicContact OD2-NH1 3.73Å; D545-R607 PolarHBondContact OD2-NH1 3.49Å; D545-R607 IonicContact OD2-NH2 3.62Å; E603-R607 PolarHBondContact O-N 3.3Å; E603-R607 VanDerWaalsContact O-N 3.16Å; R604-R607 PolarHBondContact O-N 3.43Å; R604-R607 VanDerWaalsContact O-N 3.14Å; D605-R607 VanDerWaalsContact C-N 3.33Å; D605-R607 PolarHBondContact O-N 3.36Å; R607-D817 PolarHBondContact NH1-O 2.98Å; R607-D817 IonicContact NH2-OD2 3.44Å; R607-D817 PolarHBondContact NH2-OD2 3.46Å; R607-E818 WeakPolarHBondContact CD-OE1 3.49Å
608R86.3Confident90.9Very high101 Ų10146.4 Ų46.438%0.38122%0.216SC..SBendtrans-136.3104.9-179.2-178175.9-178.91793.1109Y549 E550 R604 D605 F610Y549-R608 VanDerWaalsContact CB-CZ 3.47Å; Y549-R608 HydrophobicContact CD1-CG 4.03Å; Y549-R608 HydrophobicContact CE1-CB 3.96Å; Y549-R608 HydrophobicContact CE1-CG 3.78Å; Y549-R608 WeakPolarHBondContact CE1-O 3.48Å; Y549-R608 HydrophobicContact CE2-CB 4.21Å; Y549-R608 HydrophobicContact CE2-CG 4.44Å; Y549-R608 HydrophobicContact CG-CG 4.45Å; Y549-R608 PolarHBondContact OH-O 3.41Å; Y549-R608 VanDerWaalsContact OH-O 3.11Å; E550-R608 IonicContact OE1-NH1 3.36Å; E550-R608 IonicContact OE1-NH2 3.95Å; R604-R608 PolarHBondContact O-N 3.41Å; D605-R608 CarbonylContact O-C 3.19Å; R608-F610 PolarHBondContact O-N 2.89Å
609R89.3Confident90.4Very high141 Ų14155.8 Ų55.853%0.53226%0.257SS..  trans-62.1125.1-175.3-167.3-179.8-177179.24.7111.5D605 A611 E613D605-R609 VanDerWaalsContact O-CA 3.31Å; D605-R609 WeakPolarHBondContact O-CA 3.26Å; D605-R609 PolarHBondContact O-N 3.18Å; D605-R609 WeakPolarHBondContact OD1-CA 3.4Å; R609-A611 PolarHBondContact NE-O 3.23Å; R609-E613 IonicContact CZ-OE1 3.61Å; R609-E613 IonicContact NH1-OE1 2.71Å; R609-E613 PolarHBondContact NH1-OE1 2.88Å; R609-E613 VanDerWaalsContact NH2-N 3.19Å; R609-E613 IonicContact NH2-OE1 2.77Å; R609-E613 PolarHBondContact NH2-OE1 3.38Å
610F92.9Very high89.9Confident31 Ų3160 Ų6014%0.13628%0.28CS..  trans-125.9-19.417067.1-90.6000112Y549 L557 L560 V561 L601 D605 R608Y549-F610 HydrophobicContact CE1-CB 4.24Å; Y549-F610 AromaticContact CE1-CD1 3.95Å; Y549-F610 HydrophobicContact CE1-CD1 3.95Å; Y549-F610 HydrophobicContact CE1-CG 4.48Å; L557-F610 HydrophobicContact CD1-CB 4.34Å; L557-F610 HydrophobicContact CD2-CB 4.09Å; L557-F610 HydrophobicContact CD2-CG 4.38Å; L560-F610 HydrophobicContact CB-CD2 4.35Å; L560-F610 HydrophobicContact CB-CE2 3.73Å; L560-F610 HydrophobicContact CB-CZ 4.3Å; V561-F610 HydrophobicContact CG2-CD2 3.81Å; V561-F610 HydrophobicContact CG2-CE2 4.06Å; L601-F610 HydrophobicContact CD2-CZ 4.44Å; D605-F610 HydrophobicContact CB-CD1 3.99Å; D605-F610 HydrophobicContact CB-CE1 3.57Å; D605-F610 HydrophobicContact CB-CZ 4.19Å; D605-F610 WeakPolarHBondContact OD1-CD1 3.45Å; D605-F610 PolarHBondContact OD1-N 3.24Å; R608-F610 PolarHBondContact O-N 2.89Å
611A93.7Very high89.8Confident4 Ų460.4 Ų60.43%0.03328%0.282CS..SBendtrans-85.7149177.400000112.6V561 D605 R609 H615V561-A611 HydrophobicContact CG2-CB 4.43Å; D605-A611 WeakPolarHBondContact OD1-CB 3.45Å; D605-A611 PolarHBondContact OD1-N 2.69Å; R609-A611 PolarHBondContact NE-O 3.23Å; A611-H615 HydrophobicContact CB-CB 3.99Å
612P93.4Very high89.6Confident74 Ų7467.1 Ų67.148%0.48131%0.311SS..PPolyproline II helixtrans-67.3167.8176.927.3-32.3000112.5H615P612-H615 HydrophobicContact CG-CB 4.1Å; P612-H615 VanDerWaalsContact O-CB 3.26Å; P612-H615 WeakPolarHBondContact O-CB 3.41Å; P612-H615 PolarHBondContact O-N 3.38Å
613E88.6Confident89.4Confident142 Ų14267.9 Ų67.966%0.66432%0.318SS*.THydrogen-bonded Turntrans-54.2141.9173-44.6-118.6108.800111.3R609 H615R609-E613 IonicContact CZ-OE1 3.61Å; R609-E613 IonicContact NH1-OE1 2.71Å; R609-E613 PolarHBondContact NH1-OE1 2.88Å; R609-E613 VanDerWaalsContact NH2-N 3.19Å; R609-E613 IonicContact NH2-OE1 2.77Å; R609-E613 PolarHBondContact NH2-OE1 3.38Å; E613-H615 PolarHBondContact O-N 3.11Å
614D90.4Very high89.5Confident118 Ų11869.8 Ų69.863%0.63134%0.336SS*.THydrogen-bonded Turntrans59.67.1178.9-57.2-31.9000116.6W616 L617D614-W616 PolarHBondContact O-N 3.01Å; D614-L617 HydrophobicContact CB-CD1 3.92Å; D614-L617 HydrophobicContact CB-CG 4.36Å; D614-L617 WeakPolarHBondContact O-CB 3.1Å; D614-L617 PolarHBondContact O-N 2.71Å; D614-L617 VanDerWaalsContact OD1-CD1 3.31Å; D614-L617 WeakPolarHBondContact OD1-CD1 3.46Å
615H94.3Very high89.6Confident33 Ų3371.9 Ų71.915%0.15335%0.35CS..THydrogen-bonded Turntrans-52.4-42.2-179.3178.771.1000113.6V561 S564 A611 P612 E613 L617V561-H615 PolarHBondContact O-CE1 3.34Å; S564-H615 PolarHBondContact OG-NE2 3.35Å; A611-H615 HydrophobicContact CB-CB 3.99Å; P612-H615 HydrophobicContact CG-CB 4.1Å; P612-H615 VanDerWaalsContact O-CB 3.26Å; P612-H615 WeakPolarHBondContact O-CB 3.41Å; P612-H615 PolarHBondContact O-N 3.38Å; E613-H615 PolarHBondContact O-N 3.11Å; H615-L617 VanDerWaalsContact C-N 3.31Å; H615-L617 PolarHBondContact O-N 3Å
616W94.9Very high89.5Confident22 Ų2271.1 Ų71.18%0.08335%0.346CS..THydrogen-bonded Turntrans-77.8-15.8-176.7-63.2109.7000113.5N568 L598 L601 Y602 D605 D614 H646 V647N568-W616 PolarHBondContact ND2-O 2.96Å; L598-W616 HydrophobicContact CD1-CE3 4.46Å; L598-W616 HydrophobicContact CD1-CZ3 3.68Å; L601-W616 HydrophobicContact CB-CH2 4.07Å; Y602-W616 AromaticContact CD2-CD2 3.71Å; Y602-W616 HydrophobicContact CD2-CD2 3.71Å; Y602-W616 AromaticContact CD2-CE2 3.84Å; Y602-W616 HydrophobicContact CD2-CE3 4.04Å; Y602-W616 HydrophobicContact CD2-CG 4.01Å; Y602-W616 HydrophobicContact CD2-CZ2 4.28Å; Y602-W616 HydrophobicContact CD2-CZ3 4.44Å; Y602-W616 HydrophobicContact CE2-CD2 4.44Å; Y602-W616 HydrophobicContact CE2-CG 4.27Å; D605-W616 HydrophobicContact CB-CZ2 3.8Å; D605-W616 PolarHBondContact OD2-NE1 3.5Å; D614-W616 PolarHBondContact O-N 3.01Å; W616-H646 AromaticContact CE3-CD2 3.93Å; W616-V647 WeakPolarHBondContact O-CA 3.47Å
617L94.2Very high89.6Confident49 Ų4971.6 Ų71.626%0.25734%0.344SS..  trans-79.8142.2-175.5-57.5-177.1000111.9D614 H615 P649D614-L617 HydrophobicContact CB-CD1 3.92Å; D614-L617 HydrophobicContact CB-CG 4.36Å; D614-L617 WeakPolarHBondContact O-CB 3.1Å; D614-L617 PolarHBondContact O-N 2.71Å; D614-L617 VanDerWaalsContact OD1-CD1 3.31Å; D614-L617 WeakPolarHBondContact OD1-CD1 3.46Å; H615-L617 VanDerWaalsContact C-N 3.31Å; H615-L617 PolarHBondContact O-N 3Å; L617-P649 HydrophobicContact CD1-CG 4.33Å; L617-P649 HydrophobicContact CD2-CG 4.3Å
618R92.4Very high90Very high44 Ų4472.8 Ų72.817%0.16635%0.352CS..  trans-96.8108.4175.9-67-54.9-49.3177-1.1111.2S569 F572 D620 L621 V647S569-R618 PolarHBondContact OG-NH1 3.31Å; F572-R618 HydrophobicContact CB-CG 4.33Å; F572-R618 HydrophobicContact CD1-CG 4.39Å; F572-R618 HydrophobicContact CD2-CG 4.08Å; F572-R618 HydrophobicContact CG-CG 3.99Å; R618-D620 IonicContact CZ-OD2 3.68Å; R618-D620 IonicContact NH2-OD2 2.99Å; R618-D620 PolarHBondContact NH2-OD2 2.92Å; R618-D620 PolarHBondContact O-N 3.02Å; R618-L621 HydrophobicContact CB-CB 4.13Å; R618-L621 PolarHBondContact O-N 3.46Å; R618-L621 VanDerWaalsContact O-N 3.09Å; R618-V647 HydrophobicContact CB-CB 4.23Å; R618-V647 HydrophobicContact CG-CB 3.64Å; R618-V647 HydrophobicContact CG-CG1 3.69Å; R618-V647 PolarHBondContact N-O 3.46Å
619K85.2Confident90.2Very high197 Ų19768.7 Ų68.786%0.85734%0.337SS*.THydrogen-bonded Turntrans-60-28.7177.1-61.8-176.2-177.8179.70113.2L621K619-L621 VanDerWaalsContact C-N 3.28Å; K619-L621 PolarHBondContact O-N 3.47Å
620D83.1Confident90.2Very high108 Ų10863.3 Ų63.358%0.57832%0.319SS*.THydrogen-bonded Turntrans-75-18.1-179.7-47-43.3000112.6R618R618-D620 IonicContact CZ-OD2 3.68Å; R618-D620 IonicContact NH2-OD2 2.99Å; R618-D620 PolarHBondContact NH2-OD2 2.92Å; R618-D620 PolarHBondContact O-N 3.02Å
621L88.1Confident89.9Confident13 Ų1366.7 Ų66.77%0.06834%0.339CS..  trans-98.899.1-178.2-176.566.2000110.7F572 W576 R618 K619 L626 I640 V647 I648F572-L621 HydrophobicContact CE2-CB 4.12Å; F572-L621 HydrophobicContact CE2-CD1 4.37Å; F572-L621 HydrophobicContact CE2-CD2 4.13Å; F572-L621 HydrophobicContact CE2-CG 4.44Å; F572-L621 HydrophobicContact CZ-CB 4.07Å; F572-L621 HydrophobicContact CZ-CD1 4.48Å; W576-L621 HydrophobicContact CE3-CD1 4.17Å; W576-L621 HydrophobicContact CH2-CD1 3.49Å; W576-L621 VanDerWaalsContact CH2-CD1 3.49Å; W576-L621 HydrophobicContact CZ2-CD1 4.16Å; W576-L621 HydrophobicContact CZ3-CD1 3.5Å; R618-L621 HydrophobicContact CB-CB 4.13Å; R618-L621 PolarHBondContact O-N 3.46Å; R618-L621 VanDerWaalsContact O-N 3.09Å; K619-L621 VanDerWaalsContact C-N 3.28Å; K619-L621 PolarHBondContact O-N 3.47Å; L621-L626 HydrophobicContact CD1-CB 4.22Å; L621-L626 HydrophobicContact CD2-CD2 4.46Å; L621-I640 HydrophobicContact CD2-CD1 4.36Å; L621-V647 HydrophobicContact CD2-CG2 4.14Å; L621-I648 HydrophobicContact CD2-CG1 4.12Å
622K89.3Confident89.8Confident143 Ų14373.5 Ų73.562%0.62236%0.363SS*.  trans-72.7128.3170.1-68-175.6-178.7179.80109.9S624 V625 L626K622-S624 PolarHBondContact O-N 3.44Å; K622-S624 VanDerWaalsContact O-N 3.17Å; K622-V625 HydrophobicContact CB-CG2 4.03Å; K622-V625 PolarHBondContact O-N 3.4Å; K622-L626 PolarHBondContact O-N 2.83Å
623P87.4Confident89.5Confident37 Ų3775.8 Ų75.824%0.2437%0.372CS..Hα-helixtrans-58-32.9-179.3-27.434.6000114.5V625 L626 F627 N652P623-V625 VanDerWaalsContact C-N 3.33Å; P623-V625 PolarHBondContact O-N 3.18Å; P623-L626 PolarHBondContact O-N 3.2Å; P623-F627 HydrophobicContact CB-CE1 4.49Å; P623-F627 WeakPolarHBondContact O-CD1 3.2Å; P623-F627 VanDerWaalsContact O-CG 3.31Å; P623-F627 WeakPolarHBondContact O-CG 3.34Å; P623-F627 PolarHBondContact O-N 3.04Å; P623-N652 HydrophobicContact CB-CB 4.37Å; P623-N652 WeakPolarHBondContact CB-ND2 3.07Å; P623-N652 WeakPolarHBondContact CG-ND2 3.33Å
624S88Confident89.7Confident81 Ų8175.6 Ų75.657%0.56637%0.365SS*.Hα-helixtrans-62.1-38.7176.351.90000113K622 F627 Q628K622-S624 PolarHBondContact O-N 3.44Å; K622-S624 VanDerWaalsContact O-N 3.17Å; S624-F627 PolarHBondContact O-N 3.19Å; S624-Q628 PolarHBondContact O-N 2.89Å; S624-Q628 VanDerWaalsContact O-N 3.08Å
625V90.4Very high89.7Confident52 Ų5275.8 Ų75.832%0.31536%0.36SS..Hα-helixtrans-68.2-43.7177.11790000109.8W576 K622 P623 F627 Q628 E629W576-V625 HydrophobicContact CH2-CG1 4.15Å; W576-V625 HydrophobicContact CZ2-CG1 4.26Å; K622-V625 HydrophobicContact CB-CG2 4.03Å; K622-V625 PolarHBondContact O-N 3.4Å; P623-V625 VanDerWaalsContact C-N 3.33Å; P623-V625 PolarHBondContact O-N 3.18Å; V625-F627 VanDerWaalsContact C-N 3.31Å; V625-F627 PolarHBondContact O-N 3.14Å; V625-Q628 PolarHBondContact O-N 3.34Å; V625-E629 HydrophobicContact CG1-CG 4.42Å; V625-E629 VanDerWaalsContact O-CG 3.24Å; V625-E629 WeakPolarHBondContact O-CG 3.44Å; V625-E629 PolarHBondContact O-N 2.92Å
626L89.1Confident89.5Confident0 Ų077.6 Ų77.60%037%0.366CS..Hα-helixtrans-58.1-45.2175.9-178.271.4000111.6L621 K622 P623 Q628 E629 L630 A637 I648 L656L621-L626 HydrophobicContact CD1-CB 4.22Å; L621-L626 HydrophobicContact CD2-CD2 4.46Å; K622-L626 PolarHBondContact O-N 2.83Å; P623-L626 PolarHBondContact O-N 3.2Å; L626-Q628 PolarHBondContact O-N 3.31Å; L626-E629 PolarHBondContact O-N 2.77Å; L626-L630 HydrophobicContact CG-CD1 4.1Å; L626-L630 WeakPolarHBondContact O-CG 3.47Å; L626-L630 PolarHBondContact O-N 3.28Å; L626-A637 HydrophobicContact CD1-CB 3.86Å; L626-I648 HydrophobicContact CD2-CD1 3.29Å; L626-I648 HydrophobicContact CD2-CG1 3.73Å; L626-I648 HydrophobicContact CD2-CG2 4.45Å; L626-L656 HydrophobicContact CD2-CD1 4.47Å
627F88.5Confident89.4Confident46 Ų4676.6 Ų76.620%0.20236%0.362CS..Hα-helixtrans-65.2-41.9-178.2-6911000111P623 S624 V625 E629 L630 D631 N652 L655 L656P623-F627 HydrophobicContact CB-CE1 4.49Å; P623-F627 WeakPolarHBondContact O-CD1 3.2Å; P623-F627 VanDerWaalsContact O-CG 3.31Å; P623-F627 WeakPolarHBondContact O-CG 3.34Å; P623-F627 PolarHBondContact O-N 3.04Å; S624-F627 PolarHBondContact O-N 3.19Å; V625-F627 VanDerWaalsContact C-N 3.31Å; V625-F627 PolarHBondContact O-N 3.14Å; F627-E629 VanDerWaalsContact C-N 3.31Å; F627-E629 PolarHBondContact O-N 3.25Å; F627-L630 PolarHBondContact O-N 2.7Å; F627-D631 PolarHBondContact O-N 2.94Å; F627-N652 HydrophobicContact CZ-CB 4.19Å; F627-L655 HydrophobicContact CE2-CD2 3.96Å; F627-L655 HydrophobicContact CE2-CG 4.44Å; F627-L655 HydrophobicContact CZ-CD2 4.48Å; F627-L656 HydrophobicContact CD1-CD1 4.03Å; F627-L656 HydrophobicContact CD1-CD2 3.56Å; F627-L656 HydrophobicContact CD1-CG 3.89Å; F627-L656 HydrophobicContact CE1-CD1 3.42Å; F627-L656 VanDerWaalsContact CE1-CD1 3.42Å; F627-L656 HydrophobicContact CE1-CD2 3.5Å; F627-L656 HydrophobicContact CE1-CG 3.27Å; F627-L656 HydrophobicContact CE2-CD2 4.45Å; F627-L656 HydrophobicContact CE2-CG 4.46Å; F627-L656 HydrophobicContact CG-CD2 4.12Å; F627-L656 HydrophobicContact CZ-CD1 4.17Å; F627-L656 HydrophobicContact CZ-CD2 3.96Å; F627-L656 HydrophobicContact CZ-CG 3.6Å
628Q89.9Confident89.3Confident93 Ų9378.3 Ų78.344%0.43537%0.369SS..Hα-helixtrans-61.3-38.8174.7-174.7179.826.800112.6S624 V625 L626 R632S624-Q628 PolarHBondContact O-N 2.89Å; S624-Q628 VanDerWaalsContact O-N 3.08Å; V625-Q628 PolarHBondContact O-N 3.34Å; L626-Q628 PolarHBondContact O-N 3.31Å; Q628-R632 VanDerWaalsContact O-CG 3.28Å; Q628-R632 WeakPolarHBondContact O-CG 3.26Å; Q628-R632 PolarHBondContact O-N 3.21Å
629E90.9Very high89.3Confident15 Ų1577.5 Ų77.57%0.0737%0.367CS..Hα-helixtrans-69.6-37177-69.2-76.8136.500112.1V625 L626 F627 R632 D633 R634 R636 A637V625-E629 HydrophobicContact CG1-CG 4.42Å; V625-E629 VanDerWaalsContact O-CG 3.24Å; V625-E629 WeakPolarHBondContact O-CG 3.44Å; V625-E629 PolarHBondContact O-N 2.92Å; L626-E629 PolarHBondContact O-N 2.77Å; F627-E629 VanDerWaalsContact C-N 3.31Å; F627-E629 PolarHBondContact O-N 3.25Å; E629-R632 CarbonylContact O-C 3.45Å; E629-R632 PolarHBondContact O-N 3.3Å; E629-D633 PolarHBondContact O-N 3.2Å; E629-R634 HydrophobicContact CB-CB 4.29Å; E629-R634 WeakPolarHBondContact O-CB 3.46Å; E629-R634 PolarHBondContact O-N 3.38Å; E629-R634 WeakPolarHBondContact OE2-CB 3.38Å; E629-R634 VanDerWaalsContact OE2-CG 3.27Å; E629-R634 WeakPolarHBondContact OE2-CG 3.45Å; E629-R636 IonicContact OE1-NH2 2.86Å; E629-R636 PolarHBondContact OE1-NH2 2.95Å; E629-R636 IonicContact OE2-CZ 3.04Å; E629-R636 VanDerWaalsContact OE2-CZ 3.23Å; E629-R636 IonicContact OE2-NE 3.07Å; E629-R636 PolarHBondContact OE2-NE 3.44Å; E629-R636 IonicContact OE2-NH2 3Å; E629-R636 PolarHBondContact OE2-NH2 3.02Å; E629-A637 HydrophobicContact CB-CB 3.84Å
630L88.5Confident89.7Confident27 Ų2768.1 Ų68.114%0.14133%0.326CS..Hα-helixtrans-66.2-42.9173.8-72.5168000111.9L626 F627 R632 D633 A637 Q638 L641 L656L626-L630 HydrophobicContact CG-CD1 4.1Å; L626-L630 WeakPolarHBondContact O-CG 3.47Å; L626-L630 PolarHBondContact O-N 3.28Å; F627-L630 PolarHBondContact O-N 2.7Å; L630-R632 PolarHBondContact O-N 2.97Å; L630-D633 PolarHBondContact O-N 3.44Å; L630-A637 HydrophobicContact CD2-CB 3.76Å; L630-A637 HydrophobicContact CG-CB 3.92Å; L630-Q638 HydrophobicContact CD2-CG 4.4Å; L630-L641 HydrophobicContact CD1-CD1 3.83Å; L630-L641 HydrophobicContact CD2-CD1 3.67Å; L630-L641 HydrophobicContact CD2-CG 4.42Å; L630-L641 HydrophobicContact CG-CD1 4.43Å; L630-L656 HydrophobicContact CD1-CD1 4.17Å; L630-L656 HydrophobicContact CD1-CD2 3.77Å
631D87.9Confident90.1Very high103 Ų10363.9 Ų63.955%0.55130%0.304SS*.Hα-helixtrans-65.5-20.1175.7-73.4-33.5000112.6F627 K663F627-D631 PolarHBondContact O-N 2.94Å; D631-K663 IonicContact OD1-NZ 3.99Å; D631-K663 PolarHBondContact OD1-NZ 3.24Å
632R90.8Very high90.2Very high146 Ų14668.4 Ų68.455%0.55133%0.325SS*.THydrogen-bonded Turntrans-94.29173.3-69.9174.3174.2-174.8-2.8113.5Q628 E629 L630 R634Q628-R632 VanDerWaalsContact O-CG 3.28Å; Q628-R632 WeakPolarHBondContact O-CG 3.26Å; Q628-R632 PolarHBondContact O-N 3.21Å; E629-R632 CarbonylContact O-C 3.45Å; E629-R632 PolarHBondContact O-N 3.3Å; L630-R632 PolarHBondContact O-N 2.97Å; R632-R634 HydrophobicContact CB-CG 4.05Å; R632-R634 PolarHBondContact O-N 2.92Å
633D87.6Confident90.3Very high123 Ų12365 Ų6566%0.65831%0.308SS*.THydrogen-bonded Turntrans5236.6-178.9-69.7-45.7000114.3E629 L630 K635E629-D633 PolarHBondContact O-N 3.2Å; L630-D633 PolarHBondContact O-N 3.44Å; D633-K635 PolarHBondContact O-N 3.32Å
634R91.9Very high90.6Very high137 Ų13763.2 Ų63.252%0.51730%0.297SS..  trans-75.3126.6179-66.7-74-168.2-177.4-0.1110.8E629 R632 R636 A637 Q638E629-R634 HydrophobicContact CB-CB 4.29Å; E629-R634 WeakPolarHBondContact O-CB 3.46Å; E629-R634 PolarHBondContact O-N 3.38Å; E629-R634 WeakPolarHBondContact OE2-CB 3.38Å; E629-R634 VanDerWaalsContact OE2-CG 3.27Å; E629-R634 WeakPolarHBondContact OE2-CG 3.45Å; R632-R634 HydrophobicContact CB-CG 4.05Å; R632-R634 PolarHBondContact O-N 2.92Å; R634-R636 HydrophobicContact CB-CG 4.45Å; R634-R636 PolarHBondContact O-N 3.46Å; R634-A637 PolarHBondContact O-N 3.46Å; R634-A637 VanDerWaalsContact O-N 3.14Å; R634-Q638 PolarHBondContact O-N 3.02Å
635K90.8Very high90.9Very high123 Ų12360 Ų6054%0.53527%0.274SS..Hα-helixtrans-55-49.1-177-76.2-175.9179.7-178.60113.2E581 D633 A637 Q638 L639E581-K635 VanDerWaalsContact CD-CB 3.44Å; E581-K635 HydrophobicContact CG-CB 4.04Å; E581-K635 VanDerWaalsContact OE1-CB 3.32Å; E581-K635 WeakPolarHBondContact OE1-CB 3.29Å; D633-K635 PolarHBondContact O-N 3.32Å; K635-A637 PolarHBondContact O-N 3.13Å; K635-A637 VanDerWaalsContact O-N 3.1Å; K635-Q638 WeakPolarHBondContact O-CA 3.47Å; K635-Q638 WeakPolarHBondContact O-CB 3.49Å; K635-Q638 PolarHBondContact O-N 3.22Å; K635-L639 WeakPolarHBondContact O-CG 3.4Å; K635-L639 PolarHBondContact O-N 3.1Å
636R91.4Very high91Very high71 Ų7157.7 Ų57.727%0.26826%0.26SS..Hα-helixtrans-48.3-38.9176.164.1179.7179.3178.7-2.2114.7I575 W576 E581 E629 R634 L639 I640I575-R636 WeakPolarHBondContact CG2-O 3.48Å; I575-R636 WeakPolarHBondContact O-CB 3.42Å; W576-R636 WeakPolarHBondContact O-CD 3.38Å; E581-R636 WeakPolarHBondContact OE1-CA 3.33Å; E581-R636 WeakPolarHBondContact OE1-CB 3.45Å; E581-R636 PolarHBondContact OE1-N 3.3Å; E629-R636 IonicContact OE1-NH2 2.86Å; E629-R636 PolarHBondContact OE1-NH2 2.95Å; E629-R636 IonicContact OE2-CZ 3.04Å; E629-R636 VanDerWaalsContact OE2-CZ 3.23Å; E629-R636 IonicContact OE2-NE 3.07Å; E629-R636 PolarHBondContact OE2-NE 3.44Å; E629-R636 IonicContact OE2-NH2 3Å; E629-R636 PolarHBondContact OE2-NH2 3.02Å; R634-R636 HydrophobicContact CB-CG 4.45Å; R634-R636 PolarHBondContact O-N 3.46Å; R636-L639 PolarHBondContact O-N 2.72Å; R636-I640 WeakPolarHBondContact O-CG1 3.39Å; R636-I640 PolarHBondContact O-N 2.8Å; R636-I640 VanDerWaalsContact O-N 3.08Å
637A91.8Very high91.3Very high0 Ų057.8 Ų57.80%026%0.26CS..Hα-helixtrans-74-38.3-179.700000111.5L626 E629 L630 R634 K635 I640 L641L626-A637 HydrophobicContact CD1-CB 3.86Å; E629-A637 HydrophobicContact CB-CB 3.84Å; L630-A637 HydrophobicContact CD2-CB 3.76Å; L630-A637 HydrophobicContact CG-CB 3.92Å; R634-A637 PolarHBondContact O-N 3.46Å; R634-A637 VanDerWaalsContact O-N 3.14Å; K635-A637 PolarHBondContact O-N 3.13Å; K635-A637 VanDerWaalsContact O-N 3.1Å; A637-I640 PolarHBondContact O-N 3.09Å; A637-L641 PolarHBondContact O-N 3.25Å
638Q91.7Very high91.5Very high86 Ų8655.8 Ų55.840%0.40225%0.251SS..Hα-helixtrans-63.8-41.5172.6-62174.5-5.800111.2L630 R634 K635 I640 L641 Q642L630-Q638 HydrophobicContact CD2-CG 4.4Å; R634-Q638 PolarHBondContact O-N 3.02Å; K635-Q638 WeakPolarHBondContact O-CA 3.47Å; K635-Q638 WeakPolarHBondContact O-CB 3.49Å; K635-Q638 PolarHBondContact O-N 3.22Å; Q638-I640 PolarHBondContact O-N 2.69Å; Q638-L641 PolarHBondContact O-N 3.44Å; Q638-Q642 WeakPolarHBondContact O-CB 3.17Å; Q638-Q642 PolarHBondContact O-N 2.91Å
639L93.3Very high91.6Very high26 Ų2653.3 Ų53.314%0.13624%0.244CC..Hα-helixtrans-64.6-35.9177.3-67.9-176.3000112.6I575 V580 E581 K635 R636 Q642 Y643I575-L639 HydrophobicContact CG2-CB 3.56Å; I575-L639 HydrophobicContact CG2-CD1 4.46Å; V580-L639 HydrophobicContact CB-CD1 4.27Å; V580-L639 HydrophobicContact CG1-CD1 4.1Å; E581-L639 HydrophobicContact CG-CD1 3.81Å; K635-L639 WeakPolarHBondContact O-CG 3.4Å; K635-L639 PolarHBondContact O-N 3.1Å; R636-L639 PolarHBondContact O-N 2.72Å; L639-Q642 PolarHBondContact O-N 2.85Å; L639-Y643 HydrophobicContact CB-CD2 4.42Å; L639-Y643 HydrophobicContact CD2-CD2 4.23Å; L639-Y643 HydrophobicContact CD2-CE2 3.87Å; L639-Y643 WeakPolarHBondContact O-CB 3Å; L639-Y643 PolarHBondContact O-N 3.14Å
640I93.9Very high91.6Very high0 Ų054 Ų540%025%0.247CC..Hα-helixtrans-60.5-48.6172-75.7177.3000110.6F572 I575 W576 L621 R636 A637 Q638 Q642 I644 V647 I648F572-I640 HydrophobicContact CD2-CD1 4.1Å; F572-I640 HydrophobicContact CE2-CD1 3.75Å; I575-I640 HydrophobicContact CB-CG1 4.5Å; I575-I640 HydrophobicContact CG2-CG1 3.75Å; W576-I640 HydrophobicContact CE3-CD1 3.47Å; W576-I640 VanDerWaalsContact CE3-CD1 3.47Å; W576-I640 HydrophobicContact CZ3-CD1 3.86Å; L621-I640 HydrophobicContact CD2-CD1 4.36Å; R636-I640 WeakPolarHBondContact O-CG1 3.39Å; R636-I640 PolarHBondContact O-N 2.8Å; R636-I640 VanDerWaalsContact O-N 3.08Å; A637-I640 PolarHBondContact O-N 3.09Å; Q638-I640 PolarHBondContact O-N 2.69Å; I640-Q642 PolarHBondContact O-N 3.47Å; I640-I644 HydrophobicContact CB-CG1 4.49Å; I640-I644 HydrophobicContact CG1-CD1 4.39Å; I640-I644 HydrophobicContact CG1-CG1 4.4Å; I640-I644 HydrophobicContact CG2-CG1 4.34Å; I640-I644 CarbonylContact O-C 3.51Å; I640-I644 PolarHBondContact O-N 3.41Å; I640-V647 HydrophobicContact CG2-CG2 3.8Å; I640-I648 HydrophobicContact CG2-CD1 3.95Å; I640-I648 HydrophobicContact CG2-CG1 4.42Å
641L91.2Very high91.6Very high20 Ų2059.1 Ų59.111%0.10527%0.268CS..Hα-helixtrans-63.6-32.1178.8-65.5-176.4000112.4L630 A637 Q638 I648 L656 M660 M914L630-L641 HydrophobicContact CD1-CD1 3.83Å; L630-L641 HydrophobicContact CD2-CD1 3.67Å; L630-L641 HydrophobicContact CD2-CG 4.42Å; L630-L641 HydrophobicContact CG-CD1 4.43Å; A637-L641 PolarHBondContact O-N 3.25Å; Q638-L641 PolarHBondContact O-N 3.44Å; L641-I648 HydrophobicContact CD2-CD1 3.5Å; L641-I648 VanDerWaalsContact CD2-CD1 3.5Å; L641-L656 HydrophobicContact CD2-CD1 4.21Å; L641-M660 HydrophobicContact CD1-CE 4.03Å; L641-M914 HydrophobicContact CD1-SD 4.21Å; L641-M914 HydrophobicContact CD2-CG 4.39Å; L641-M914 HydrophobicContact CD2-SD 3.81Å; L641-M914 HydrophobicContact CG-SD 4.46Å
642Q89.4Confident91.8Very high108 Ų10856.1 Ų56.151%0.50525%0.252SS..Hα-helixtrans-76-44.9-179.8-178.6178.2-1.700112.9Q638 L639 I640Q638-Q642 WeakPolarHBondContact O-CB 3.17Å; Q638-Q642 PolarHBondContact O-N 2.91Å; L639-Q642 PolarHBondContact O-N 2.85Å; I640-Q642 PolarHBondContact O-N 3.47Å
643Y91.8Very high91.9Very high71 Ų7149.3 Ų49.328%0.27823%0.226SC..Hα-helixtrans-105.1-36.3-168.5-71.5-64.6000114.1F591 H595 L639F591-Y643 HydrophobicContact CE1-CD1 4.07Å; F591-Y643 HydrophobicContact CE1-CD2 4.19Å; F591-Y643 HydrophobicContact CE1-CE1 4.05Å; F591-Y643 HydrophobicContact CE1-CE2 4.14Å; F591-Y643 HydrophobicContact CE1-CG 4.15Å; F591-Y643 HydrophobicContact CZ-CD1 4.13Å; F591-Y643 AromaticContact CZ-CD2 3.86Å; F591-Y643 HydrophobicContact CZ-CD2 3.86Å; F591-Y643 HydrophobicContact CZ-CE2 4.24Å; F591-Y643 AromaticContact CZ-CG 3.8Å; F591-Y643 HydrophobicContact CZ-CG 3.8Å; H595-Y643 AromaticContact CE1-CD1 3.76Å; H595-Y643 AromaticContact NE2-CD1 3.95Å; H595-Y643 PolarHBondContact NE2-O 2.99Å; L639-Y643 HydrophobicContact CB-CD2 4.42Å; L639-Y643 HydrophobicContact CD2-CD2 4.23Å; L639-Y643 HydrophobicContact CD2-CE2 3.87Å; L639-Y643 WeakPolarHBondContact O-CB 3Å; L639-Y643 PolarHBondContact O-N 3.14Å
644I94.4Very high92.1Very high0 Ų043.6 Ų43.60%020%0.196CC..  trans-138.251.1-173.156.3167.1000112.8V571 F572 I575 L598 I640 H646 V647V571-I644 HydrophobicContact CG1-CD1 4.4Å; V571-I644 HydrophobicContact CG1-CG2 3.65Å; F572-I644 HydrophobicContact CB-CD1 3.97Å; F572-I644 HydrophobicContact CD2-CD1 4.19Å; I575-I644 HydrophobicContact CD1-CD1 3.87Å; I575-I644 HydrophobicContact CD1-CG1 3.87Å; L598-I644 HydrophobicContact CD2-CG2 3.9Å; I640-I644 HydrophobicContact CB-CG1 4.49Å; I640-I644 HydrophobicContact CG1-CD1 4.39Å; I640-I644 HydrophobicContact CG1-CG1 4.4Å; I640-I644 HydrophobicContact CG2-CG1 4.34Å; I640-I644 CarbonylContact O-C 3.51Å; I640-I644 PolarHBondContact O-N 3.41Å; I644-H646 PolarHBondContact O-N 3.47Å; I644-H646 VanDerWaalsContact O-N 3.12Å; I644-V647 HydrophobicContact CB-CG1 4.19Å; I644-V647 HydrophobicContact CD1-CG1 4.03Å; I644-V647 HydrophobicContact CD1-CG2 4.4Å; I644-V647 HydrophobicContact CG1-CG1 4.38Å; I644-V647 HydrophobicContact CG1-CG2 4.44Å; I644-V647 WeakPolarHBondContact O-CG2 3.38Å; I644-V647 PolarHBondContact O-N 3.35Å
645P93.4Very high92Very high13 Ų1339.7 Ų39.78%0.08419%0.185CC..G310 helixtrans-62.5-24-175.627.1-35.6000113.2V647 I648 R653 M914P645-V647 PolarHBondContact O-N 2.86Å; P645-V647 VanDerWaalsContact O-N 3.09Å; P645-I648 WeakPolarHBondContact O-CB 3.3Å; P645-I648 PolarHBondContact O-N 3.24Å; P645-R653 VanDerWaalsContact O-CD 3.23Å; P645-R653 WeakPolarHBondContact O-CD 3.29Å; P645-R653 PolarHBondContact O-NE 2.88Å; P645-M914 HydrophobicContact CB-CB 4.23Å; P645-M914 WeakPolarHBondContact CB-O 3.33Å
646H93.5Very high92.1Very high4 Ų434.4 Ų34.42%0.01916%0.162CC..G310 helixtrans-60.2-18.3178.560.2-87000114.4N568 Y602 W616 I644 I648N568-H646 PolarHBondContact OD1-NE2 2.98Å; N568-H646 VanDerWaalsContact OD1-NE2 3.1Å; Y602-H646 HydrophobicContact CD1-CB 4.44Å; Y602-H646 HydrophobicContact CD2-CB 3.99Å; Y602-H646 HydrophobicContact CE1-CB 3.9Å; Y602-H646 HydrophobicContact CE2-CB 3.4Å; Y602-H646 VanDerWaalsContact CE2-CB 3.4Å; Y602-H646 AromaticContact CE2-CG 3.95Å; Y602-H646 HydrophobicContact CG-CB 4.47Å; W616-H646 AromaticContact CE3-CD2 3.93Å; I644-H646 PolarHBondContact O-N 3.47Å; I644-H646 VanDerWaalsContact O-N 3.12Å; H646-I648 PolarHBondContact O-N 2.83Å
647V94.9Very high92.1Very high2 Ų231 Ų311%0.01215%0.149CC..G310 helixtrans-68-14.4174.6-590000113.8N568 W616 R618 L621 I640 I644 P645N568-V647 WeakPolarHBondContact OD1-CG1 3.31Å; W616-V647 WeakPolarHBondContact O-CA 3.47Å; R618-V647 HydrophobicContact CB-CB 4.23Å; R618-V647 HydrophobicContact CG-CB 3.64Å; R618-V647 HydrophobicContact CG-CG1 3.69Å; R618-V647 PolarHBondContact N-O 3.46Å; L621-V647 HydrophobicContact CD2-CG2 4.14Å; I640-V647 HydrophobicContact CG2-CG2 3.8Å; I644-V647 HydrophobicContact CB-CG1 4.19Å; I644-V647 HydrophobicContact CD1-CG1 4.03Å; I644-V647 HydrophobicContact CD1-CG2 4.4Å; I644-V647 HydrophobicContact CG1-CG1 4.38Å; I644-V647 HydrophobicContact CG1-CG2 4.44Å; I644-V647 WeakPolarHBondContact O-CG2 3.38Å; I644-V647 PolarHBondContact O-N 3.35Å; P645-V647 PolarHBondContact O-N 2.86Å; P645-V647 VanDerWaalsContact O-N 3.09Å
648I93.3Very high92.1Very high3 Ų333.4 Ų33.42%0.01516%0.158CC..SBendtrans-101.7133.3-179.5-54.4158.1000108.5L621 L626 I640 L641 P645 H646 H650 N652 R653L621-I648 HydrophobicContact CD2-CG1 4.12Å; L626-I648 HydrophobicContact CD2-CD1 3.29Å; L626-I648 HydrophobicContact CD2-CG1 3.73Å; L626-I648 HydrophobicContact CD2-CG2 4.45Å; I640-I648 HydrophobicContact CG2-CD1 3.95Å; I640-I648 HydrophobicContact CG2-CG1 4.42Å; L641-I648 HydrophobicContact CD2-CD1 3.5Å; L641-I648 VanDerWaalsContact CD2-CD1 3.5Å; P645-I648 WeakPolarHBondContact O-CB 3.3Å; P645-I648 PolarHBondContact O-N 3.24Å; H646-I648 PolarHBondContact O-N 2.83Å; I648-H650 PolarHBondContact O-N 3.47Å; I648-N652 HydrophobicContact CG2-CB 3.86Å; I648-R653 HydrophobicContact CB-CG 3.84Å; I648-R653 HydrophobicContact CD1-CG 4.43Å; I648-R653 HydrophobicContact CG2-CG 3.77Å; I648-R653 PolarHBondContact O-NE 3.46Å
649P92.1Very high92.1Very high42 Ų4232 Ų3227%0.27316%0.156SC..  trans-51.9138175.4-26.133.2000112.2L617 K651 N652 R653L617-P649 HydrophobicContact CD1-CG 4.33Å; L617-P649 HydrophobicContact CD2-CG 4.3Å; P649-K651 VanDerWaalsContact C-N 3.29Å; P649-K651 PolarHBondContact O-N 3.04Å; P649-N652 WeakPolarHBondContact O-CB 3.47Å; P649-N652 PolarHBondContact O-N 3.24Å; P649-R653 PolarHBondContact O-N 3.31Å
650H90.2Very high92Very high29 Ų2933 Ų3313%0.13416%0.16CC..Hα-helixtrans-50.8-47.3-177.5178-114.2000112.4I648 N652 R653 V654 E919I648-H650 PolarHBondContact O-N 3.47Å; H650-N652 VanDerWaalsContact C-N 3.27Å; H650-N652 PolarHBondContact O-N 3.47Å; H650-R653 PolarHBondContact O-N 2.91Å; H650-R653 VanDerWaalsContact O-N 3.08Å; H650-V654 WeakPolarHBondContact O-CG2 3.46Å; H650-V654 PolarHBondContact O-N 3.27Å; H650-E919 IonicContact CD2-OE1 3.85Å
651K88.9Confident91.9Very high135 Ų13533.2 Ų33.259%0.58716%0.162SC*.Hα-helixtrans-54-41.1177.6-172.2175.5-176.5169.50112.9P649 V654 L655 L985P649-K651 VanDerWaalsContact C-N 3.29Å; P649-K651 PolarHBondContact O-N 3.04Å; K651-V654 PolarHBondContact O-N 3.45Å; K651-L655 PolarHBondContact O-N 3.13Å; K651-L985 HydrophobicContact CG-CD2 3.84Å
652N91.2Very high91.8Very high39 Ų3935.4 Ų35.421%0.20918%0.176CC..Hα-helixtrans-72.9-34.3-179.5-69.770000112.1P623 F627 I648 P649 H650 L655 L656P623-N652 HydrophobicContact CB-CB 4.37Å; P623-N652 WeakPolarHBondContact CB-ND2 3.07Å; P623-N652 WeakPolarHBondContact CG-ND2 3.33Å; F627-N652 HydrophobicContact CZ-CB 4.19Å; I648-N652 HydrophobicContact CG2-CB 3.86Å; P649-N652 WeakPolarHBondContact O-CB 3.47Å; P649-N652 PolarHBondContact O-N 3.24Å; H650-N652 VanDerWaalsContact C-N 3.27Å; H650-N652 PolarHBondContact O-N 3.47Å; N652-L655 PolarHBondContact O-N 2.93Å; N652-L656 WeakPolarHBondContact O-CG 3.31Å; N652-L656 PolarHBondContact O-N 3.34Å
653R93Very high91.8Very high4 Ų435 Ų352%0.01517%0.173CC..Hα-helixtrans-67.4-38.6172.4-71-172.1-81.8119-1.8112.3P645 I648 P649 H650 L655 L656 F657 M914 F915 E919P645-R653 VanDerWaalsContact O-CD 3.23Å; P645-R653 WeakPolarHBondContact O-CD 3.29Å; P645-R653 PolarHBondContact O-NE 2.88Å; I648-R653 HydrophobicContact CB-CG 3.84Å; I648-R653 HydrophobicContact CD1-CG 4.43Å; I648-R653 HydrophobicContact CG2-CG 3.77Å; I648-R653 PolarHBondContact O-NE 3.46Å; P649-R653 PolarHBondContact O-N 3.31Å; H650-R653 PolarHBondContact O-N 2.91Å; H650-R653 VanDerWaalsContact O-N 3.08Å; R653-L655 VanDerWaalsContact C-N 3.34Å; R653-L656 WeakPolarHBondContact O-CB 3.43Å; R653-L656 PolarHBondContact O-N 3.48Å; R653-F657 WeakPolarHBondContact O-CB 3.3Å; R653-F657 PolarHBondContact O-N 2.88Å; R653-M914 WeakPolarHBondContact CD-O 3.34Å; R653-M914 PolarHBondContact NH1-O 3.45Å; R653-F915 HydrophobicContact CB-CE1 3.86Å; R653-F915 HydrophobicContact CB-CZ 4.28Å; R653-E919 IonicContact CZ-OE1 3.39Å; R653-E919 IonicContact CZ-OE2 3.47Å; R653-E919 IonicContact NH1-OE1 3.72Å; R653-E919 IonicContact NH1-OE2 2.83Å; R653-E919 PolarHBondContact NH1-OE2 3.4Å; R653-E919 VanDerWaalsContact NH2-CD 3.26Å; R653-E919 IonicContact NH2-OE1 3.59Å; R653-E919 PolarHBondContact NH2-OE1 2.99Å; R653-E919 IonicContact NH2-OE2 3.39Å; R653-E919 PolarHBondContact NH2-OE2 3.1Å; R653-E919 VanDerWaalsContact NH2-OE2 3.15Å
654V91.7Very high91.8Very high2 Ų232.6 Ų32.61%0.01216%0.164CC..Hα-helixtrans-62.6-42.6172.5179.40000110.8H650 K651 F657 R658 F915 L923 L984 L985H650-V654 WeakPolarHBondContact O-CG2 3.46Å; H650-V654 PolarHBondContact O-N 3.27Å; K651-V654 PolarHBondContact O-N 3.45Å; V654-F657 WeakPolarHBondContact O-CB 3.35Å; V654-F657 PolarHBondContact O-N 2.88Å; V654-R658 WeakPolarHBondContact O-CG 3.38Å; V654-R658 PolarHBondContact O-N 3.27Å; V654-F915 HydrophobicContact CG2-CE1 3.83Å; V654-F915 HydrophobicContact CG2-CZ 4.32Å; V654-L923 HydrophobicContact CG1-CD1 4.33Å; V654-L984 HydrophobicContact CG1-CB 4.33Å; V654-L984 HydrophobicContact CG1-CD1 4.29Å; V654-L984 HydrophobicContact CG2-CD1 3.94Å; V654-L985 HydrophobicContact CB-CD2 4.13Å; V654-L985 HydrophobicContact CG1-CD1 4.04Å; V654-L985 HydrophobicContact CG1-CD2 3.96Å; V654-L985 HydrophobicContact CG1-CG 3.82Å
655L90.7Very high91.5Very high55 Ų5534.4 Ų34.429%0.28817%0.172SC..Hα-helixtrans-62.2-44.7175.3-177.661.3000111.8F627 K651 N652 R653 F657 R658 T659 L985F627-L655 HydrophobicContact CE2-CD2 3.96Å; F627-L655 HydrophobicContact CE2-CG 4.44Å; F627-L655 HydrophobicContact CZ-CD2 4.48Å; K651-L655 PolarHBondContact O-N 3.13Å; N652-L655 PolarHBondContact O-N 2.93Å; R653-L655 VanDerWaalsContact C-N 3.34Å; L655-F657 VanDerWaalsContact C-N 3.35Å; L655-F657 PolarHBondContact O-N 3.42Å; L655-R658 PolarHBondContact O-N 3.15Å; L655-T659 PolarHBondContact O-N 3.42Å; L655-T659 PolarHBondContact O-OG1 3.28Å; L655-T659 VanDerWaalsContact O-OG1 3.09Å; L655-L985 HydrophobicContact CD1-CD1 4.49Å
656L91.6Very high91.3Very high12 Ų1239.2 Ų39.26%0.06319%0.193CC..Hα-helixtrans-57.2-47.6173.8-81.9170.4000111.9L626 F627 L630 L641 N652 R653 R658 T659 M660L626-L656 HydrophobicContact CD2-CD1 4.47Å; F627-L656 HydrophobicContact CD1-CD1 4.03Å; F627-L656 HydrophobicContact CD1-CD2 3.56Å; F627-L656 HydrophobicContact CD1-CG 3.89Å; F627-L656 HydrophobicContact CE1-CD1 3.42Å; F627-L656 VanDerWaalsContact CE1-CD1 3.42Å; F627-L656 HydrophobicContact CE1-CD2 3.5Å; F627-L656 HydrophobicContact CE1-CG 3.27Å; F627-L656 HydrophobicContact CE2-CD2 4.45Å; F627-L656 HydrophobicContact CE2-CG 4.46Å; F627-L656 HydrophobicContact CG-CD2 4.12Å; F627-L656 HydrophobicContact CZ-CD1 4.17Å; F627-L656 HydrophobicContact CZ-CD2 3.96Å; F627-L656 HydrophobicContact CZ-CG 3.6Å; L630-L656 HydrophobicContact CD1-CD1 4.17Å; L630-L656 HydrophobicContact CD1-CD2 3.77Å; L641-L656 HydrophobicContact CD2-CD1 4.21Å; N652-L656 WeakPolarHBondContact O-CG 3.31Å; N652-L656 PolarHBondContact O-N 3.34Å; R653-L656 WeakPolarHBondContact O-CB 3.43Å; R653-L656 PolarHBondContact O-N 3.48Å; L656-R658 VanDerWaalsContact C-N 3.32Å; L656-R658 PolarHBondContact O-N 2.95Å; L656-T659 PolarHBondContact O-N 3.38Å; L656-M660 HydrophobicContact CB-CE 4.45Å; L656-M660 VanDerWaalsContact O-CG 3.32Å; L656-M660 WeakPolarHBondContact O-CG 3.31Å; L656-M660 PolarHBondContact O-N 2.85Å
657F93.3Very high91Very high0 Ų048 Ų480%023%0.231CC..Hα-helixtrans-54.4-48.3175.8172.5-94.9000111.4R653 V654 L655 T659 M660 V661 V786 I907 W911 M914 F915 L923R653-F657 WeakPolarHBondContact O-CB 3.3Å; R653-F657 PolarHBondContact O-N 2.88Å; V654-F657 WeakPolarHBondContact O-CB 3.35Å; V654-F657 PolarHBondContact O-N 2.88Å; L655-F657 VanDerWaalsContact C-N 3.35Å; L655-F657 PolarHBondContact O-N 3.42Å; F657-T659 PolarHBondContact O-N 3.4Å; F657-M660 PolarHBondContact O-N 3.14Å; F657-V661 HydrophobicContact CD1-CG2 4.47Å; F657-V661 HydrophobicContact CE1-CG2 3.97Å; F657-V661 HydrophobicContact CE2-CG2 4.26Å; F657-V661 HydrophobicContact CZ-CG2 3.83Å; F657-V661 WeakPolarHBondContact O-CG2 3.27Å; F657-V661 PolarHBondContact O-N 3.41Å; F657-V786 HydrophobicContact CE1-CG1 4.14Å; F657-V786 HydrophobicContact CZ-CG1 3.75Å; F657-I907 HydrophobicContact CE2-CG2 4.35Å; F657-I907 HydrophobicContact CZ-CD1 4.23Å; F657-W911 HydrophobicContact CD2-CB 3.85Å; F657-W911 HydrophobicContact CE2-CB 3.93Å; F657-W911 HydrophobicContact CE2-CE3 4.15Å; F657-M914 HydrophobicContact CB-CE 4.15Å; F657-F915 HydrophobicContact CB-CE2 4.17Å; F657-F915 HydrophobicContact CB-CZ 3.96Å; F657-F915 HydrophobicContact CD2-CE2 4.21Å; F657-F915 HydrophobicContact CG-CE2 4.31Å; F657-F915 HydrophobicContact CG-CZ 4.44Å; F657-L923 HydrophobicContact CD1-CD1 4.32Å; F657-L923 HydrophobicContact CE1-CD1 4.48Å; F657-L923 HydrophobicContact CE1-CD2 4.41Å; F657-L923 HydrophobicContact CZ-CD2 4.48Å
658R91.5Very high90.6Very high50 Ų5050.6 Ų50.619%0.18925%0.245CC..Hα-helixtrans-62.5-42.4177.6-66.1-64.2175-156.5-8112.2V654 L655 L656 M660 V661 T662 V786 G789 L985V654-R658 WeakPolarHBondContact O-CG 3.38Å; V654-R658 PolarHBondContact O-N 3.27Å; L655-R658 PolarHBondContact O-N 3.15Å; L656-R658 VanDerWaalsContact C-N 3.32Å; L656-R658 PolarHBondContact O-N 2.95Å; R658-M660 VanDerWaalsContact C-N 3.35Å; R658-M660 PolarHBondContact O-N 3.42Å; R658-V661 PolarHBondContact O-N 3.09Å; R658-T662 PolarHBondContact O-N 2.99Å; R658-T662 PolarHBondContact O-OG1 2.94Å; R658-T662 VanDerWaalsContact O-OG1 3.05Å; R658-V786 PolarHBondContact NH1-O 2.83Å; R658-G789 VanDerWaalsContact CZ-CA 3.43Å; R658-G789 VanDerWaalsContact NH2-CA 3.34Å; R658-L985 HydrophobicContact CG-CD1 4.15Å
659T90.3Very high90Very high58 Ų5852.8 Ų52.836%0.35627%0.268SS..Hα-helixtrans-61.3-41.5175.3-58.80000112L655 L656 F657 T662 K663L655-T659 PolarHBondContact O-N 3.42Å; L655-T659 PolarHBondContact O-OG1 3.28Å; L655-T659 VanDerWaalsContact O-OG1 3.09Å; L656-T659 PolarHBondContact O-N 3.38Å; F657-T659 PolarHBondContact O-N 3.4Å; T659-T662 PolarHBondContact O-N 2.95Å; T659-K663 HydrophobicContact CG2-CD 4.43Å; T659-K663 WeakPolarHBondContact O-CG 3.38Å; T659-K663 PolarHBondContact O-N 2.99Å
660M91.6Very high89.5Confident46 Ų4651.6 Ų51.623%0.22726%0.259CS..Hα-helixtrans-64.2-41.3177.1-68.8176.1-169.200112.1L641 L656 F657 R658 E664 W911 M914L641-M660 HydrophobicContact CD1-CE 4.03Å; L656-M660 HydrophobicContact CB-CE 4.45Å; L656-M660 VanDerWaalsContact O-CG 3.32Å; L656-M660 WeakPolarHBondContact O-CG 3.31Å; L656-M660 PolarHBondContact O-N 2.85Å; F657-M660 PolarHBondContact O-N 3.14Å; R658-M660 VanDerWaalsContact C-N 3.35Å; R658-M660 PolarHBondContact O-N 3.42Å; M660-E664 PolarHBondContact O-N 2.86Å; M660-W911 HydrophobicContact CB-CD2 4.4Å; M660-W911 HydrophobicContact CB-CZ2 4.12Å; M660-W911 HydrophobicContact SD-CG 4.19Å; M660-M914 HydrophobicContact CE-CE 4.31Å; M660-M914 HydrophobicContact CE-SD 4.35Å; M660-M914 HydrophobicContact SD-CE 4.24Å
661V91.7Very high88.7Confident5 Ų552.9 Ų52.93%0.0327%0.269CS..Hα-helixtrans-62.2-46.5174.11690000110.9F657 R658 E664 K665 Y787 W911F657-V661 HydrophobicContact CD1-CG2 4.47Å; F657-V661 HydrophobicContact CE1-CG2 3.97Å; F657-V661 HydrophobicContact CE2-CG2 4.26Å; F657-V661 HydrophobicContact CZ-CG2 3.83Å; F657-V661 WeakPolarHBondContact O-CG2 3.27Å; F657-V661 PolarHBondContact O-N 3.41Å; R658-V661 PolarHBondContact O-N 3.09Å; V661-E664 WeakPolarHBondContact O-CB 3.32Å; V661-E664 PolarHBondContact O-N 3.49Å; V661-E664 VanDerWaalsContact O-N 3.17Å; V661-K665 HydrophobicContact CG1-CD 4.37Å; V661-K665 PolarHBondContact O-N 2.95Å; V661-Y787 HydrophobicContact CB-CE2 4.47Å; V661-Y787 HydrophobicContact CG1-CD2 3.82Å; V661-Y787 HydrophobicContact CG1-CE2 3.7Å; V661-Y787 HydrophobicContact CG1-CG 4.28Å; V661-Y787 WeakPolarHBondContact CG1-O 3.44Å; V661-Y787 HydrophobicContact CG2-CD2 4.18Å; V661-Y787 HydrophobicContact CG2-CE2 4.36Å; V661-W911 HydrophobicContact CG2-CE3 4.07Å; V661-W911 HydrophobicContact CG2-CH2 4.37Å; V661-W911 HydrophobicContact CG2-CZ3 3.71Å
662T89.8Confident87.6Confident65 Ų6554.1 Ų54.140%0.39928%0.277SS..Hα-helixtrans-60.5-48.1177.9-58.10000111.8R658 T659 E664 K665 E666R658-T662 PolarHBondContact O-N 2.99Å; R658-T662 PolarHBondContact O-OG1 2.94Å; R658-T662 VanDerWaalsContact O-OG1 3.05Å; T659-T662 PolarHBondContact O-N 2.95Å; T662-E664 PolarHBondContact O-N 3.05Å; T662-K665 WeakPolarHBondContact O-CB 3.45Å; T662-K665 PolarHBondContact O-N 3.19Å; T662-K665 VanDerWaalsContact O-N 3.07Å; T662-E666 WeakPolarHBondContact O-CG 3.43Å; T662-E666 PolarHBondContact O-N 2.84Å
663K89.6Confident86.1Confident101 Ų10156.3 Ų56.344%0.43929%0.292SS..Hα-helixtrans-58-35.6175.4-73.9-177.7180-177.90112D631 T659 K667D631-K663 IonicContact OD1-NZ 3.99Å; D631-K663 PolarHBondContact OD1-NZ 3.24Å; T659-K663 HydrophobicContact CG2-CD 4.43Å; T659-K663 WeakPolarHBondContact O-CG 3.38Å; T659-K663 PolarHBondContact O-N 2.99Å; K663-K667 WeakPolarHBondContact O-CB 3.17Å; K663-K667 PolarHBondContact O-N 3.45Å
664E91.1Very high84.4Confident19 Ų1962.7 Ų62.79%0.08934%0.337CS..Hα-helixtrans-69-44.9173.8-175177.2-109.800112.2M660 V661 T662 E666 K667 L668 K707 Y787 K908 W911M660-E664 PolarHBondContact O-N 2.86Å; V661-E664 WeakPolarHBondContact O-CB 3.32Å; V661-E664 PolarHBondContact O-N 3.49Å; V661-E664 VanDerWaalsContact O-N 3.17Å; T662-E664 PolarHBondContact O-N 3.05Å; E664-E666 VanDerWaalsContact C-N 3.28Å; E664-E666 PolarHBondContact O-N 3.31Å; E664-K667 PolarHBondContact O-N 3.32Å; E664-L668 HydrophobicContact CG-CD1 3.89Å; E664-L668 HydrophobicContact CG-CG 4.23Å; E664-L668 WeakPolarHBondContact O-CG 3.32Å; E664-L668 PolarHBondContact O-N 3.22Å; E664-K707 VanDerWaalsContact CD-NZ 3.31Å; E664-K707 IonicContact OE1-NZ 3.9Å; E664-K707 PolarHBondContact OE1-NZ 3.09Å; E664-K707 IonicContact OE2-NZ 2.76Å; E664-K707 PolarHBondContact OE2-NZ 3.32Å; E664-Y787 VanDerWaalsContact OE2-CE2 3.27Å; E664-Y787 WeakPolarHBondContact OE2-CE2 3.48Å; E664-Y787 PolarHBondContact OE2-OH 3.4Å; E664-K908 WeakPolarHBondContact OE1-CE 3.36Å; E664-K908 IonicContact OE1-NZ 2.64Å; E664-K908 PolarHBondContact OE1-NZ 2.89Å; E664-W911 HydrophobicContact CB-CH2 3.87Å; E664-W911 HydrophobicContact CB-CZ2 4.35Å; E664-W911 HydrophobicContact CG-CH2 4.32Å; E664-W911 WeakPolarHBondContact OE2-CH2 3.44Å
665K89.3Confident82.5Confident39 Ų3968.1 Ų68.117%0.1738%0.375CS..Hα-helixtrans-57.9-42.2176.4-72.8-177.4169-172.20111.5V661 T662 L668 G669 L670 V671 Y787 E788V661-K665 HydrophobicContact CG1-CD 4.37Å; V661-K665 PolarHBondContact O-N 2.95Å; T662-K665 WeakPolarHBondContact O-CB 3.45Å; T662-K665 PolarHBondContact O-N 3.19Å; T662-K665 VanDerWaalsContact O-N 3.07Å; K665-L668 PolarHBondContact O-N 2.93Å; K665-G669 PolarHBondContact O-N 3.14Å; K665-L670 HydrophobicContact CB-CB 4.34Å; K665-L670 PolarHBondContact O-N 2.84Å; K665-V671 HydrophobicContact CB-CG2 3.79Å; K665-Y787 HydrophobicContact CD-CE1 4.18Å; K665-Y787 HydrophobicContact CG-CE1 3.9Å; K665-Y787 VanDerWaalsContact CG-OH 3.28Å; K665-Y787 WeakPolarHBondContact CG-OH 3.35Å; K665-E788 IonicContact NZ-OE1 2.69Å; K665-E788 IonicContact NZ-OE2 2.84Å; K665-E788 PolarHBondContact NZ-OE2 3.47Å
666E87.4Confident80.8Confident114 Ų11468.4 Ų68.453%0.53339%0.385SS..Hα-helixtrans-60.9-49174.5-70.3169.1177.600111.4T662 E664 L668 G669 V671T662-E666 WeakPolarHBondContact O-CG 3.43Å; T662-E666 PolarHBondContact O-N 2.84Å; E664-E666 VanDerWaalsContact C-N 3.28Å; E664-E666 PolarHBondContact O-N 3.31Å; E666-L668 PolarHBondContact O-N 3.28Å; E666-G669 PolarHBondContact O-N 3.23Å; E666-V671 HydrophobicContact CG-CG2 3.94Å
667K88.1Confident79.3Confident189 Ų18973.1 Ų73.182%0.82242%0.419SS*.Hα-helixtrans-60.5-33178.1-174.9177.7179.7178.60113K663 E664 G669K663-K667 WeakPolarHBondContact O-CB 3.17Å; K663-K667 PolarHBondContact O-N 3.45Å; E664-K667 PolarHBondContact O-N 3.32Å; K667-G669 VanDerWaalsContact C-N 3.32Å
668L86Confident78Confident56 Ų5674 Ų7429%0.29343%0.425SS..THydrogen-bonded Turntrans-85.1-1.9178.5-65178.1000113.4E664 K665 E666 L670 H704 K707E664-L668 HydrophobicContact CG-CD1 3.89Å; E664-L668 HydrophobicContact CG-CG 4.23Å; E664-L668 WeakPolarHBondContact O-CG 3.32Å; E664-L668 PolarHBondContact O-N 3.22Å; K665-L668 PolarHBondContact O-N 2.93Å; E666-L668 PolarHBondContact O-N 3.28Å; L668-L670 VanDerWaalsContact C-N 3.3Å; L668-L670 HydrophobicContact CB-CD1 3.81Å; L668-L670 HydrophobicContact CB-CG 3.74Å; L668-L670 HydrophobicContact CD1-CD1 3.97Å; L668-L670 PolarHBondContact O-N 3.28Å; L668-H704 PolarHBondContact O-NE2 2.72Å; L668-K707 HydrophobicContact CD1-CB 4.49Å; L668-K707 HydrophobicContact CD1-CD 3.86Å
669G81.4Confident77Confident49 Ų4978 Ų7851%0.50545%0.445SS..THydrogen-bonded Turntrans68.727.2-177.900000113.6K665 E666 K667K665-G669 PolarHBondContact O-N 3.14Å; E666-G669 PolarHBondContact O-N 3.23Å; K667-G669 VanDerWaalsContact C-N 3.32Å
670L80.6Confident76.5Confident16 Ų1676.9 Ų76.98%0.08444%0.439CS..  trans-93.6-1.3-176.6-58.7177.5000113.2K665 L668 K707K665-L670 HydrophobicContact CB-CB 4.34Å; K665-L670 PolarHBondContact O-N 2.84Å; L668-L670 VanDerWaalsContact C-N 3.3Å; L668-L670 HydrophobicContact CB-CD1 3.81Å; L668-L670 HydrophobicContact CB-CG 3.74Å; L668-L670 HydrophobicContact CD1-CD1 3.97Å; L668-L670 PolarHBondContact O-N 3.28Å; L670-K707 HydrophobicContact CD1-CB 3.86Å
671V73.3Confident76.2Confident56 Ų5675.5 Ų75.534%0.33943%0.433SS..SBendtrans-101.1140.2176.1-174.60000108.3K665 E666 T673K665-V671 HydrophobicContact CB-CG2 3.79Å; E666-V671 HydrophobicContact CG-CG2 3.94Å; V671-T673 PolarHBondContact O-N 2.93Å; V671-T673 VanDerWaalsContact O-N 3.1Å
672E65.9Low75.9Confident161 Ų16181.3 Ų81.375%0.75246%0.46SS*.  trans-58.4115.4171.3-77.1-177.4160.700109.9P678E672-P678 HydrophobicContact CG-CG 3.89Å
673T61.4Low75.8Confident86 Ų8678.4 Ų78.453%0.52844%0.441SS..BIsolated β-bridgetrans-110.8156169.259.60000108.2V671 S675 A676V671-T673 PolarHBondContact O-N 2.93Å; V671-T673 VanDerWaalsContact O-N 3.1Å; T673-S675 PolarHBondContact O-N 3.42Å; T673-A676 PolarHBondContact O-N 3.21Å
674S55.3Low75.7Confident137 Ų13776.6 Ų76.696%0.95844%0.439SS*.THydrogen-bonded Turntrans-57.5-7.8179.7-44.10000114.6
675S52.4Low75.5Confident117 Ų11775.7 Ų75.782%0.81844%0.435SS*.THydrogen-bonded Turntrans-118.7-13.4-171.3-44.90000114.6T673T673-S675 PolarHBondContact O-N 3.42Å
676A56.3Low75.3Confident60 Ų6077.8 Ų77.850%0.49644%0.442SS..BIsolated β-bridgetrans-156.9133.2179.800000112.1T673T673-A676 PolarHBondContact O-N 3.21Å
677S59.6Low75Confident111 Ų11177 Ų7778%0.77643%0.434SS*.PPolyproline II helixtrans-76.9138.2170.7-53.20000110.3
678P65.3Low74.7Confident20 Ų2071.2 Ų71.213%0.1342%0.417CS..PPolyproline II helixtrans-63143.9179.924.3-31.9000110.9E672 V680E672-P678 HydrophobicContact CG-CG 3.89Å; P678-V680 PolarHBondContact O-N 3.25Å
679H69.6Low74.7Confident132 Ų13274.3 Ų74.361%0.61143%0.425SS*.PPolyproline II helixtrans-66.7122.4174.4-168.759.4000109.7
680V80.1Confident74.9Confident36 Ų3672.6 Ų72.622%0.21840%0.404CS..EExtended strand (participates in β ladder)trans-105.1124.3-178-178.70000109.4P678 V709 R711P678-V680 PolarHBondContact O-N 3.25Å; V680-V709 HydrophobicContact CG1-CG1 4.48Å; V680-V709 HydrophobicContact CG2-CB 4.49Å; V680-R711 HydrophobicContact CG1-CB 4.05Å; V680-R711 HydrophobicContact CG1-CG 3.49Å; V680-R711 VanDerWaalsContact CG1-CG 3.49Å
681T85.1Confident75.2Confident16 Ų1673 Ų7310%0.09841%0.406CS..EExtended strand (participates in β ladder)trans-89.8124.7174.6-55.20000109.2I683 L701 V709 I710 R711T681-I683 HydrophobicContact CG2-CG2 4.42Å; T681-L701 HydrophobicContact CG2-CD1 3.87Å; T681-L701 HydrophobicContact CG2-CD2 3.82Å; T681-V709 PolarHBondContact N-O 3.41Å; T681-I710 CarbonylContact O-C 3.56Å; T681-I710 WeakPolarHBondContact O-CA 3.1Å; T681-R711 PolarHBondContact O-N 3.5Å
682H85.4Confident75.9Confident128 Ų12874.6 Ų74.659%0.59341%0.409SS*.EExtended strand (participates in β ladder)trans-100.6130.5175.9-71.6-91.1000110.6R711H682-R711 WeakPolarHBondContact CA-O 3.44Å
683I87.8Confident77Confident3 Ų367.3 Ų67.32%0.01538%0.376CS..EExtended strand (participates in β ladder)trans-123.4146.4173.368175.4000110.5T681 I685 Q697 L698 I710 R711 V712 K713 F734T681-I683 HydrophobicContact CG2-CG2 4.42Å; I683-I685 HydrophobicContact CD1-CD1 4.05Å; I683-I685 HydrophobicContact CD1-CG1 4.07Å; I683-I685 HydrophobicContact CG1-CD1 4.37Å; I683-I685 HydrophobicContact CG1-CG1 4.14Å; I683-Q697 HydrophobicContact CG2-CB 4.3Å; I683-L698 HydrophobicContact CD1-CD1 4.17Å; I683-L698 HydrophobicContact CD1-CD2 3.97Å; I683-L698 HydrophobicContact CD1-CG 4.18Å; I683-L698 HydrophobicContact CG2-CD2 3.9Å; I683-I710 HydrophobicContact CD1-CG2 3.96Å; I683-I710 HydrophobicContact CG1-CG2 4.13Å; I683-I710 HydrophobicContact CG2-CG2 4.31Å; I683-R711 PolarHBondContact N-O 2.93Å; I683-V712 HydrophobicContact CD1-CG2 3.75Å; I683-V712 HydrophobicContact CG1-CB 4.22Å; I683-V712 HydrophobicContact CG1-CG1 4.24Å; I683-V712 HydrophobicContact CG1-CG2 3.78Å; I683-K713 PolarHBondContact O-N 2.98Å; I683-F734 HydrophobicContact CD1-CD1 4.36Å; I683-F734 HydrophobicContact CD1-CE1 3.87Å; I683-F734 HydrophobicContact CD1-CZ 3.92Å
684T87.6Confident78.3Confident63 Ų6363.2 Ų63.239%0.38735%0.351SS..EExtended strand (participates in β ladder)trans-115.1121.9-179.9-56.40000109.7Q697 K713 V715T684-Q697 PolarHBondContact O-NE2 3.23Å; T684-K713 CarbonylContact C-O 3.54Å; T684-K713 WeakPolarHBondContact CA-O 3.31Å; T684-V715 HydrophobicContact CG2-CB 4.3Å; T684-V715 HydrophobicContact CG2-CG1 3.63Å; T684-V715 HydrophobicContact CG2-CG2 3.62Å
685I87.9Confident79.9Confident0 Ų058.3 Ų58.30%031%0.311CS..EExtended strand (participates in β ladder)trans-126.5131.7-168.7-58.1-62.7000110.5I683 M690 D693 V712 K713 F714 V715 F734I683-I685 HydrophobicContact CD1-CD1 4.05Å; I683-I685 HydrophobicContact CD1-CG1 4.07Å; I683-I685 HydrophobicContact CG1-CD1 4.37Å; I683-I685 HydrophobicContact CG1-CG1 4.14Å; I685-M690 HydrophobicContact CG2-CB 4.23Å; I685-M690 HydrophobicContact CG2-CG 3.86Å; I685-D693 HydrophobicContact CD1-CB 3.89Å; I685-V712 HydrophobicContact CB-CG1 4.2Å; I685-V712 HydrophobicContact CG1-CG1 3.76Å; I685-K713 PolarHBondContact N-O 2.98Å; I685-F714 HydrophobicContact CB-CD1 4.02Å; I685-F714 HydrophobicContact CB-CE1 4.04Å; I685-F714 HydrophobicContact CG2-CD1 4.08Å; I685-F714 HydrophobicContact CG2-CE1 3.79Å; I685-F714 VanDerWaalsContact O-CA 3.32Å; I685-F714 WeakPolarHBondContact O-CA 3.46Å; I685-V715 PolarHBondContact O-N 3.39Å; I685-F734 HydrophobicContact CB-CD2 4.41Å; I685-F734 HydrophobicContact CB-CE2 4.32Å; I685-F734 HydrophobicContact CD1-CD2 4.41Å; I685-F734 HydrophobicContact CD1-CE2 3.57Å; I685-F734 HydrophobicContact CD1-CZ 3.98Å; I685-F734 HydrophobicContact CG1-CD2 3.91Å; I685-F734 HydrophobicContact CG1-CE2 3.57Å; I685-F734 HydrophobicContact CG1-CZ 4.26Å; I685-F734 HydrophobicContact CG2-CD2 3.97Å; I685-F734 HydrophobicContact CG2-CE2 3.86Å
686R85.6Confident81.7Confident84 Ų8458.6 Ų58.632%0.31730%0.3SS..EExtended strand (participates in β ladder)trans-89.4130.6167-67.9167-70.3-164.8-1.8110.4S688 R689 M690 D693 V715R686-S688 PolarHBondContact O-N 2.82Å; R686-R689 HydrophobicContact CB-CB 4.48Å; R686-R689 CarbonylContact O-C 3.14Å; R686-R689 VanDerWaalsContact O-C 3.31Å; R686-R689 PolarHBondContact O-N 3.01Å; R686-M690 WeakPolarHBondContact O-CA 3.48Å; R686-M690 PolarHBondContact O-N 3.2Å; R686-M690 VanDerWaalsContact O-N 3.08Å; R686-D693 WeakPolarHBondContact CB-OD2 3.35Å; R686-D693 IonicContact CZ-OD1 3.73Å; R686-D693 IonicContact CZ-OD2 2.89Å; R686-D693 PolarHBondContact N-OD2 3.28Å; R686-D693 IonicContact NE-OD1 2.99Å; R686-D693 IonicContact NE-OD2 2.63Å; R686-D693 PolarHBondContact NE-OD2 3.39Å; R686-D693 IonicContact NH2-OD1 3.25Å; R686-D693 PolarHBondContact NH2-OD1 3.08Å; R686-D693 IonicContact NH2-OD2 2.8Å; R686-V715 WeakPolarHBondContact CA-O 3.28Å; R686-V715 HydrophobicContact CG-CG2 3.65Å
687R80.1Confident83.3Confident97 Ų9758.6 Ų58.637%0.36629%0.29SS..G310 helixtrans-56.1-37.4178-69.7-173.3179.7-128.2-13.1112.4R689 F714 E722 E733R687-R689 VanDerWaalsContact C-N 3.31Å; R687-R689 PolarHBondContact O-N 3.31Å; R687-F714 HydrophobicContact CG-CD1 4.12Å; R687-E722 IonicContact CZ-OE2 3.3Å; R687-E722 IonicContact NE-OE1 3.98Å; R687-E722 PolarHBondContact NE-OE1 2.71Å; R687-E722 IonicContact NE-OE2 3.92Å; R687-E722 PolarHBondContact NE-OE2 2.85Å; R687-E722 IonicContact NH2-OE2 2.69Å; R687-E722 PolarHBondContact NH2-OE2 3.46Å; R687-E733 IonicContact NH2-OE1 3.53Å
688S82.8Confident84.7Confident67 Ų6753.4 Ų53.447%0.46925%0.253SS..G310 helixtrans-68-24.8178.460.30000114.3R686 D717R686-S688 PolarHBondContact O-N 2.82Å; S688-D717 WeakPolarHBondContact CB-OD1 3.43Å; S688-D717 PolarHBondContact OG-OD1 3.46Å
689R85.4Confident85.6Confident121 Ų12157.5 Ų57.546%0.45727%0.266SS..G310 helixtrans-131.839.9-174.3-60.9-170.569.7-179.1-1.3112.2R686 R687 L691 E692 D693R686-R689 HydrophobicContact CB-CB 4.48Å; R686-R689 CarbonylContact O-C 3.14Å; R686-R689 VanDerWaalsContact O-C 3.31Å; R686-R689 PolarHBondContact O-N 3.01Å; R687-R689 VanDerWaalsContact C-N 3.31Å; R687-R689 PolarHBondContact O-N 3.31Å; R689-L691 PolarHBondContact O-N 2.74Å; R689-E692 VanDerWaalsContact C-OE2 3.26Å; R689-E692 VanDerWaalsContact CA-OE2 3.31Å; R689-E692 WeakPolarHBondContact CA-OE2 3.49Å; R689-E692 PolarHBondContact O-N 3.16Å; R689-D693 WeakPolarHBondContact O-CB 3.44Å; R689-D693 PolarHBondContact O-N 2.87Å
690M85Confident86.3Confident14 Ų1458.7 Ų58.77%0.06927%0.272CS..Hα-helixtrans-62.3-41.1-170.9-174.9174.5-59.900113.1I685 R686 G694 F714 F734 E737 I738I685-M690 HydrophobicContact CG2-CB 4.23Å; I685-M690 HydrophobicContact CG2-CG 3.86Å; R686-M690 WeakPolarHBondContact O-CA 3.48Å; R686-M690 PolarHBondContact O-N 3.2Å; R686-M690 VanDerWaalsContact O-N 3.08Å; M690-G694 PolarHBondContact O-N 3.02Å; M690-F714 HydrophobicContact CE-CE1 3.7Å; M690-F714 HydrophobicContact CE-CZ 4.15Å; M690-F734 HydrophobicContact CG-CD2 3.84Å; M690-F734 HydrophobicContact CG-CE2 3.84Å; M690-F734 HydrophobicContact SD-CD2 4.03Å; M690-E737 HydrophobicContact CE-CB 4.32Å; M690-E737 WeakPolarHBondContact CE-OE2 3.45Å; M690-E737 HydrophobicContact SD-CB 3.58Å; M690-E737 VanDerWaalsContact SD-CB 3.58Å; M690-I738 HydrophobicContact CG-CD1 4.18Å; M690-I738 HydrophobicContact CG-CG1 3.72Å; M690-I738 HydrophobicContact SD-CG1 3.99Å
691L87Confident86.6Confident24 Ų2459.2 Ų59.213%0.12627%0.273CS..Hα-helixtrans-68.4-44.6-179.4178.858.7000110.8R689 Y695 V742 L747 F777R689-L691 PolarHBondContact O-N 2.74Å; L691-Y695 WeakPolarHBondContact O-CB 3.24Å; L691-Y695 PolarHBondContact O-N 3.15Å; L691-V742 HydrophobicContact CD1-CG1 3.43Å; L691-V742 VanDerWaalsContact CD1-CG1 3.43Å; L691-V742 HydrophobicContact CD2-CG1 4.31Å; L691-L747 HydrophobicContact CD2-CD1 4.36Å; L691-F777 HydrophobicContact CD1-CE1 4.11Å
692E88.4Confident86.7Confident89 Ų8961.9 Ų61.942%0.41629%0.293SS..Hα-helixtrans-67.1-51.5-179-61.980.7177.100111.4R689 G694 Y695 E696R689-E692 VanDerWaalsContact C-OE2 3.26Å; R689-E692 VanDerWaalsContact CA-OE2 3.31Å; R689-E692 WeakPolarHBondContact CA-OE2 3.49Å; R689-E692 PolarHBondContact O-N 3.16Å; E692-G694 VanDerWaalsContact C-N 3.33Å; E692-G694 PolarHBondContact O-N 3.48Å; E692-Y695 PolarHBondContact O-N 3.41Å; E692-E696 WeakPolarHBondContact O-CB 3.33Å; E692-E696 PolarHBondContact O-N 3.42Å
693D89.3Confident86.7Confident8 Ų861.2 Ų61.24%0.04329%0.29CS..Hα-helixtrans-64.5-40.5-179.1-70.7-8.6000111I685 R686 R689 Q697I685-D693 HydrophobicContact CD1-CB 3.89Å; R686-D693 WeakPolarHBondContact CB-OD2 3.35Å; R686-D693 IonicContact CZ-OD1 3.73Å; R686-D693 IonicContact CZ-OD2 2.89Å; R686-D693 PolarHBondContact N-OD2 3.28Å; R686-D693 IonicContact NE-OD1 2.99Å; R686-D693 IonicContact NE-OD2 2.63Å; R686-D693 PolarHBondContact NE-OD2 3.39Å; R686-D693 IonicContact NH2-OD1 3.25Å; R686-D693 PolarHBondContact NH2-OD1 3.08Å; R686-D693 IonicContact NH2-OD2 2.8Å; R689-D693 WeakPolarHBondContact O-CB 3.44Å; R689-D693 PolarHBondContact O-N 2.87Å; D693-Q697 WeakPolarHBondContact O-CB 3.46Å; D693-Q697 PolarHBondContact O-N 2.87Å; D693-Q697 PolarHBondContact O-NE2 2.97Å
694G88.6Confident86.6Confident0 Ų064.9 Ų64.90%031%0.307CS..Hα-helixtrans-64.9-45.3175.600000112.3M690 E692 L698M690-G694 PolarHBondContact O-N 3.02Å; E692-G694 VanDerWaalsContact C-N 3.33Å; E692-G694 PolarHBondContact O-N 3.48Å; G694-L698 WeakPolarHBondContact O-CB 3.11Å; G694-L698 WeakPolarHBondContact O-CG 3.45Å; G694-L698 PolarHBondContact O-N 3.41Å
695Y89.4Confident86.6Confident34 Ų3462.5 Ų62.513%0.13329%0.293CS..Hα-helixtrans-61.4-47.3177.2175.3-98.2000111.9L691 E692 R699 Q773 L774 F777L691-Y695 WeakPolarHBondContact O-CB 3.24Å; L691-Y695 PolarHBondContact O-N 3.15Å; E692-Y695 PolarHBondContact O-N 3.41Å; Y695-R699 WeakPolarHBondContact O-CB 3.38Å; Y695-R699 PolarHBondContact O-N 3.06Å; Y695-R699 VanDerWaalsContact O-N 3.15Å; Y695-R699 PolarHBondContact OH-NH1 3.45Å; Y695-Q773 HydrophobicContact CE2-CB 4.37Å; Y695-Q773 WeakPolarHBondContact OH-CB 3.42Å; Y695-L774 HydrophobicContact CD2-CD2 3.84Å; Y695-L774 HydrophobicContact CE2-CD2 3.94Å; Y695-L774 HydrophobicContact CE2-CG 4.47Å; Y695-L774 HydrophobicContact CG-CD2 4.38Å; Y695-F777 HydrophobicContact CD2-CB 3.71Å; Y695-F777 AromaticContact CD2-CD1 3.86Å; Y695-F777 HydrophobicContact CD2-CD1 3.86Å; Y695-F777 HydrophobicContact CD2-CD2 4.27Å; Y695-F777 AromaticContact CD2-CG 3.68Å; Y695-F777 HydrophobicContact CD2-CG 3.68Å; Y695-F777 HydrophobicContact CE2-CB 3.95Å; Y695-F777 HydrophobicContact CE2-CG 4.4Å
696E89.2Confident86.6Confident123 Ų12362.8 Ų62.858%0.57529%0.294SS*.Hα-helixtrans-65.5-42.5-176-170.8168.1-163.800112.4E692 Q700E692-E696 WeakPolarHBondContact O-CB 3.33Å; E692-E696 PolarHBondContact O-N 3.42Å; E696-Q700 WeakPolarHBondContact O-CG 3.45Å; E696-Q700 PolarHBondContact O-NE2 3.42Å
697Q90.4Very high86.8Confident61 Ų6159.1 Ų59.129%0.28528%0.281SS..Hα-helixtrans-80-45.2-177.6-73.2171.369.800113I683 T684 D693I683-Q697 HydrophobicContact CG2-CB 4.3Å; T684-Q697 PolarHBondContact O-NE2 3.23Å; D693-Q697 WeakPolarHBondContact O-CB 3.46Å; D693-Q697 PolarHBondContact O-N 2.87Å; D693-Q697 PolarHBondContact O-NE2 2.97Å
698L88.7Confident87.1Confident2 Ų254.7 Ų54.71%0.0127%0.265CS..Hα-helixtrans-80.7-27.8-173-65.5176.7000113.2I683 G694 Q700 L701 M706 I710 F734 F777 M781I683-L698 HydrophobicContact CD1-CD1 4.17Å; I683-L698 HydrophobicContact CD1-CD2 3.97Å; I683-L698 HydrophobicContact CD1-CG 4.18Å; I683-L698 HydrophobicContact CG2-CD2 3.9Å; G694-L698 WeakPolarHBondContact O-CB 3.11Å; G694-L698 WeakPolarHBondContact O-CG 3.45Å; G694-L698 PolarHBondContact O-N 3.41Å; L698-Q700 VanDerWaalsContact C-N 3.26Å; L698-Q700 PolarHBondContact O-N 3.3Å; L698-L701 HydrophobicContact CD2-CD1 3.5Å; L698-L701 WeakPolarHBondContact O-CB 3.41Å; L698-L701 PolarHBondContact O-N 3.31Å; L698-M706 HydrophobicContact CD2-SD 4.49Å; L698-I710 HydrophobicContact CD2-CD1 4.01Å; L698-I710 HydrophobicContact CD2-CG2 4.34Å; L698-F734 HydrophobicContact CD1-CE1 3.6Å; L698-F734 HydrophobicContact CD1-CZ 3.84Å; L698-F777 HydrophobicContact CB-CE2 3.86Å; L698-F777 HydrophobicContact CD1-CE2 4.22Å; L698-F777 HydrophobicContact CD1-CZ 4.47Å; L698-M781 HydrophobicContact CB-CE 4.29Å; L698-M781 HydrophobicContact CD1-CE 4.06Å; L698-M781 HydrophobicContact CD1-SD 3.76Å
699R84.6Confident87.1Confident106 Ų10654.3 Ų54.340%0.426%0.26SS..Hα-helixtrans-63-34.4177.8178.8179.7175-151.9-7.2112.4Y695 L701Y695-R699 WeakPolarHBondContact O-CB 3.38Å; Y695-R699 PolarHBondContact O-N 3.06Å; Y695-R699 VanDerWaalsContact O-N 3.15Å; Y695-R699 PolarHBondContact OH-NH1 3.45Å; R699-L701 VanDerWaalsContact C-N 3.29Å
700Q84Confident87.2Confident157 Ų15748.8 Ų48.873%0.73424%0.239SC*.THydrogen-bonded Turntrans-78.9-12.1-177.3-62-177.716.500113.1E696 L698E696-Q700 WeakPolarHBondContact O-CG 3.45Å; E696-Q700 PolarHBondContact O-NE2 3.42Å; L698-Q700 VanDerWaalsContact C-N 3.26Å; L698-Q700 PolarHBondContact O-N 3.3Å
701L87.3Confident87.1Confident47 Ų4752.8 Ų52.825%0.24625%0.254CS..SBendtrans-67.3142.4-179.1-63.7-178.2000111.7T681 L698 R699 A705 M706T681-L701 HydrophobicContact CG2-CD1 3.87Å; T681-L701 HydrophobicContact CG2-CD2 3.82Å; L698-L701 HydrophobicContact CD2-CD1 3.5Å; L698-L701 WeakPolarHBondContact O-CB 3.41Å; L698-L701 PolarHBondContact O-N 3.31Å; R699-L701 VanDerWaalsContact C-N 3.29Å; L701-A705 HydrophobicContact CB-CB 4.32Å; L701-A705 HydrophobicContact CD2-CB 4.4Å; L701-M706 HydrophobicContact CB-CB 4.5Å; L701-M706 HydrophobicContact CD1-SD 4.37Å
702S86.8Confident87Confident72 Ų7252 Ų5250%0.50325%0.25SC..  trans-65.8157.7169.174.90000110.6H704 A705 M706S702-H704 PolarHBondContact O-N 2.96Å; S702-A705 PolarHBondContact O-N 2.82Å; S702-A705 PolarHBondContact OG-N 2.89Å; S702-M706 WeakPolarHBondContact O-CB 3.37Å; S702-M706 PolarHBondContact O-N 2.84Å
703Q84.9Confident86.7Confident114 Ų11452.1 Ų52.153%0.53325%0.249SC..Hα-helixtrans-56.1-34.2176.3-169.2-176.810.100112.5K707 S905Q703-K707 WeakPolarHBondContact O-CG 3.48Å; Q703-K707 PolarHBondContact O-N 3.3Å; Q703-S905 VanDerWaalsContact CD-O 3.29Å; Q703-S905 VanDerWaalsContact CG-O 3.22Å; Q703-S905 WeakPolarHBondContact CG-O 3.36Å; Q703-S905 PolarHBondContact NE2-O 3.47Å
704H85.9Confident86.4Confident80 Ų8052.5 Ų52.537%0.3725%0.25SS..Hα-helixtrans-67.7-50.3177.2-178.1-82.7000111.4L668 S702 M706 K707 G708L668-H704 PolarHBondContact O-NE2 2.72Å; S702-H704 PolarHBondContact O-N 2.96Å; H704-M706 VanDerWaalsContact C-N 3.33Å; H704-M706 PolarHBondContact O-N 3.02Å; H704-K707 PolarHBondContact O-N 3.01Å; H704-G708 PolarHBondContact O-N 2.85Å; H704-G708 VanDerWaalsContact O-N 3.09Å
705A86.7Confident86.1Confident13 Ų1353.1 Ų53.111%0.10725%0.254CS..Hα-helixtrans-62.5-39.8178.500000112.1L701 S702 K707 G708L701-A705 HydrophobicContact CB-CB 4.32Å; L701-A705 HydrophobicContact CD2-CB 4.4Å; S702-A705 PolarHBondContact O-N 2.82Å; S702-A705 PolarHBondContact OG-N 2.89Å; A705-K707 VanDerWaalsContact C-N 3.33Å; A705-K707 PolarHBondContact O-N 2.89Å; A705-G708 PolarHBondContact O-N 3.2Å; A705-G708 VanDerWaalsContact O-N 3.13Å
706M89.3Confident85.6Confident5 Ų554.3 Ų54.33%0.02526%0.263CS..Hα-helixtrans-65.3-33.8178-170.962.6-155.700112.8L698 L701 S702 H704 I710 M781 K784 I906L698-M706 HydrophobicContact CD2-SD 4.49Å; L701-M706 HydrophobicContact CB-CB 4.5Å; L701-M706 HydrophobicContact CD1-SD 4.37Å; S702-M706 WeakPolarHBondContact O-CB 3.37Å; S702-M706 PolarHBondContact O-N 2.84Å; H704-M706 VanDerWaalsContact C-N 3.33Å; H704-M706 PolarHBondContact O-N 3.02Å; M706-I710 HydrophobicContact CE-CD1 4.21Å; M706-I710 HydrophobicContact SD-CD1 3.92Å; M706-M781 HydrophobicContact CE-CE 3.19Å; M706-M781 HydrophobicContact CE-SD 4.14Å; M706-M781 HydrophobicContact SD-CE 4.11Å; M706-K784 HydrophobicContact CE-CB 3.69Å; M706-K784 HydrophobicContact CE-CD 4.22Å; M706-K784 HydrophobicContact CE-CG 3.77Å; M706-K784 WeakPolarHBondContact O-CD 3.4Å; M706-K784 VanDerWaalsContact O-CE 3.27Å; M706-K784 WeakPolarHBondContact O-CE 3.43Å; M706-K784 PolarHBondContact O-NZ 3.3Å; M706-I906 HydrophobicContact CB-CD1 4.07Å; M706-I906 HydrophobicContact CG-CD1 3.47Å; M706-I906 VanDerWaalsContact CG-CD1 3.47Å
707K89.6Confident84.8Confident8 Ų854.3 Ų54.34%0.03527%0.267CS..Hα-helixtrans-76.9-22.7174-74.5-178.5176.1-161.30113E664 L668 L670 Q703 H704 A705 K784 Y787 I906E664-K707 VanDerWaalsContact CD-NZ 3.31Å; E664-K707 IonicContact OE1-NZ 3.9Å; E664-K707 PolarHBondContact OE1-NZ 3.09Å; E664-K707 IonicContact OE2-NZ 2.76Å; E664-K707 PolarHBondContact OE2-NZ 3.32Å; L668-K707 HydrophobicContact CD1-CB 4.49Å; L668-K707 HydrophobicContact CD1-CD 3.86Å; L670-K707 HydrophobicContact CD1-CB 3.86Å; Q703-K707 WeakPolarHBondContact O-CG 3.48Å; Q703-K707 PolarHBondContact O-N 3.3Å; H704-K707 PolarHBondContact O-N 3.01Å; A705-K707 VanDerWaalsContact C-N 3.33Å; A705-K707 PolarHBondContact O-N 2.89Å; K707-K784 PolarHBondContact O-NZ 3.43Å; K707-Y787 HydrophobicContact CB-CE1 3.99Å; K707-Y787 HydrophobicContact CD-CE2 4.49Å; K707-Y787 HydrophobicContact CG-CE1 4.16Å; K707-I906 WeakPolarHBondContact CE-O 3.44Å; K707-I906 HydrophobicContact CG-CD1 4.39Å; K707-I906 HydrophobicContact CG-CG2 4.37Å; K707-I906 PolarHBondContact NZ-O 2.95Å
708G85.2Confident83.9Confident3 Ų358.7 Ų58.73%0.03129%0.291CS..SBendtrans-70.8-177.4176.600000114.4H704 A705 I710 K784H704-G708 PolarHBondContact O-N 2.85Å; H704-G708 VanDerWaalsContact O-N 3.09Å; A705-G708 PolarHBondContact O-N 3.2Å; A705-G708 VanDerWaalsContact O-N 3.13Å; G708-I710 PolarHBondContact O-N 3.37Å; G708-K784 PolarHBondContact O-NZ 3.04Å
709V84.6Confident82.9Confident59 Ų5961.1 Ų61.136%0.35832%0.316SS..EExtended strand (participates in β ladder)trans-73.8124.9177.7-178.90000108.7V680 T681 R711V680-V709 HydrophobicContact CG1-CG1 4.48Å; V680-V709 HydrophobicContact CG2-CB 4.49Å; T681-V709 PolarHBondContact N-O 3.41Å; V709-R711 HydrophobicContact CG1-CG 4.49Å
710I86.1Confident82.4Confident6 Ų660 Ų603%0.03132%0.321CS..EExtended strand (participates in β ladder)trans-107.6125.1176.2-59.2173.2000107.2T681 I683 L698 M706 G708 F731T681-I710 CarbonylContact O-C 3.56Å; T681-I710 WeakPolarHBondContact O-CA 3.1Å; I683-I710 HydrophobicContact CD1-CG2 3.96Å; I683-I710 HydrophobicContact CG1-CG2 4.13Å; I683-I710 HydrophobicContact CG2-CG2 4.31Å; L698-I710 HydrophobicContact CD2-CD1 4.01Å; L698-I710 HydrophobicContact CD2-CG2 4.34Å; M706-I710 HydrophobicContact CE-CD1 4.21Å; M706-I710 HydrophobicContact SD-CD1 3.92Å; G708-I710 PolarHBondContact O-N 3.37Å; I710-F731 HydrophobicContact CB-CD2 3.73Å; I710-F731 HydrophobicContact CB-CE2 3.72Å; I710-F731 HydrophobicContact CB-CG 4.43Å; I710-F731 HydrophobicContact CB-CZ 4.41Å; I710-F731 HydrophobicContact CD1-CE2 3.9Å; I710-F731 HydrophobicContact CD1-CZ 4.22Å; I710-F731 HydrophobicContact CG1-CE2 4.36Å; I710-F731 HydrophobicContact CG2-CD2 3.72Å; I710-F731 HydrophobicContact CG2-CE2 3.83Å; I710-F731 WeakPolarHBondContact O-CB 3.32Å
711R84.3Confident81.8Confident97 Ų9756.7 Ų56.737%0.36631%0.309SS..EExtended strand (participates in β ladder)trans-107129.4174.6-72.2-167.1-178.8171.1-2.1110.4V680 T681 H682 I683 V709 D726V680-R711 HydrophobicContact CG1-CB 4.05Å; V680-R711 HydrophobicContact CG1-CG 3.49Å; V680-R711 VanDerWaalsContact CG1-CG 3.49Å; T681-R711 PolarHBondContact O-N 3.5Å; H682-R711 WeakPolarHBondContact CA-O 3.44Å; I683-R711 PolarHBondContact N-O 2.93Å; V709-R711 HydrophobicContact CG1-CG 4.49Å; R711-D726 WeakPolarHBondContact CA-OD2 3.44Å; R711-D726 WeakPolarHBondContact CB-OD2 3.38Å; R711-D726 VanDerWaalsContact CG-OD2 3.22Å; R711-D726 WeakPolarHBondContact CG-OD2 3.3Å
712V83.9Confident81Confident7 Ų757.4 Ų57.44%0.04231%0.311CS..EExtended strand (participates in β ladder)trans-105.4133.1-175.8-175.70000109.2I683 I685 F714 D726 V730 F731 F734I683-V712 HydrophobicContact CD1-CG2 3.75Å; I683-V712 HydrophobicContact CG1-CB 4.22Å; I683-V712 HydrophobicContact CG1-CG1 4.24Å; I683-V712 HydrophobicContact CG1-CG2 3.78Å; I685-V712 HydrophobicContact CB-CG1 4.2Å; I685-V712 HydrophobicContact CG1-CG1 3.76Å; V712-F714 HydrophobicContact CG1-CE1 4.32Å; V712-F714 HydrophobicContact CG1-CE2 4.33Å; V712-F714 HydrophobicContact CG1-CZ 4.18Å; V712-D726 PolarHBondContact N-OD2 3.06Å; V712-V730 HydrophobicContact CB-CB 4.37Å; V712-V730 HydrophobicContact CB-CG1 3.88Å; V712-V730 HydrophobicContact CG1-CG1 4.16Å; V712-V730 WeakPolarHBondContact O-CG1 3.28Å; V712-F731 HydrophobicContact CG2-CB 3.97Å; V712-F731 HydrophobicContact CG2-CD2 3.79Å; V712-F731 HydrophobicContact CG2-CG 4.39Å; V712-F734 HydrophobicContact CG1-CB 4.14Å; V712-F734 HydrophobicContact CG1-CD2 4.36Å; V712-F734 HydrophobicContact CG1-CG 4.23Å; V712-F734 HydrophobicContact CG2-CB 4.06Å; V712-F734 HydrophobicContact CG2-CD1 4.07Å; V712-F734 HydrophobicContact CG2-CG 4.1Å
713K83.1Confident79.6Confident93 Ų9359.3 Ų59.340%0.40433%0.331SS..EExtended strand (participates in β ladder)trans-116.1113.2174-171.1-177.9-172.8-163.30109I683 T684 I685 D721I683-K713 PolarHBondContact O-N 2.98Å; T684-K713 CarbonylContact C-O 3.54Å; T684-K713 WeakPolarHBondContact CA-O 3.31Å; I685-K713 PolarHBondContact N-O 2.98Å; K713-D721 WeakPolarHBondContact CE-OD1 3.26Å; K713-D721 WeakPolarHBondContact CE-OD2 3.45Å; K713-D721 IonicContact NZ-OD1 3.84Å; K713-D721 PolarHBondContact NZ-OD1 2.89Å; K713-D721 IonicContact NZ-OD2 3.23Å; K713-D721 PolarHBondContact NZ-OD2 2.75Å
714F82.2Confident78.2Confident16 Ų1656.8 Ų56.87%0.0734%0.335CS..EExtended strand (participates in β ladder)trans-81.2134.5174.9-72.1-66.4000111.2I685 R687 M690 V712 E722 V730 F734I685-F714 HydrophobicContact CB-CD1 4.02Å; I685-F714 HydrophobicContact CB-CE1 4.04Å; I685-F714 HydrophobicContact CG2-CD1 4.08Å; I685-F714 HydrophobicContact CG2-CE1 3.79Å; I685-F714 VanDerWaalsContact O-CA 3.32Å; I685-F714 WeakPolarHBondContact O-CA 3.46Å; R687-F714 HydrophobicContact CG-CD1 4.12Å; M690-F714 HydrophobicContact CE-CE1 3.7Å; M690-F714 HydrophobicContact CE-CZ 4.15Å; V712-F714 HydrophobicContact CG1-CE1 4.32Å; V712-F714 HydrophobicContact CG1-CE2 4.33Å; V712-F714 HydrophobicContact CG1-CZ 4.18Å; F714-E722 HydrophobicContact CB-CB 4.23Å; F714-E722 HydrophobicContact CB-CG 4.33Å; F714-E722 WeakPolarHBondContact CB-OE2 3.37Å; F714-E722 PolarHBondContact O-N 2.96Å; F714-V730 HydrophobicContact CD2-CG1 3.38Å; F714-V730 HydrophobicContact CE2-CG1 3.28Å; F714-V730 HydrophobicContact CZ-CG1 4.38Å; F714-F734 HydrophobicContact CZ-CB 4.02Å
715V83.1Confident76.5Confident13 Ų1360.2 Ų60.28%0.07936%0.355CS..EExtended strand (participates in β ladder)trans-127.9143.8175.1-66.40000109.3T684 I685 R686 V720T684-V715 HydrophobicContact CG2-CB 4.3Å; T684-V715 HydrophobicContact CG2-CG1 3.63Å; T684-V715 HydrophobicContact CG2-CG2 3.62Å; I685-V715 PolarHBondContact O-N 3.39Å; R686-V715 WeakPolarHBondContact CA-O 3.28Å; R686-V715 HydrophobicContact CG-CG2 3.65Å; V715-V720 WeakPolarHBondContact CA-O 3.48Å
716N78.1Confident74.8Confident58 Ų5860.7 Ų60.731%0.3136%0.356SS..  trans-75.8176175.568.717000111.7L718 G719 V720N716-L718 PolarHBondContact O-N 3.25Å; N716-L718 VanDerWaalsContact O-N 3.07Å; N716-L718 WeakPolarHBondContact OD1-CA 3.41Å; N716-L718 WeakPolarHBondContact OD1-CB 3.39Å; N716-L718 PolarHBondContact OD1-N 3.43Å; N716-L718 VanDerWaalsContact OD1-N 3.09Å; N716-G719 PolarHBondContact O-N 3.38Å; N716-G719 PolarHBondContact OD1-N 3.35Å; N716-V720 PolarHBondContact N-O 3.18Å; N716-V720 PolarHBondContact OD1-N 3.45Å; N716-V720 PolarHBondContact OD1-O 3.37Å
717D73.1Confident73.1Confident123 Ų12367.6 Ų67.666%0.65839%0.388SS*.THydrogen-bonded Turntrans-61.9-18-179-66.8-40.1000114S688S688-D717 WeakPolarHBondContact CB-OD1 3.43Å; S688-D717 PolarHBondContact OG-OD1 3.46Å
718L71.3Confident71.4Confident154 Ų15472.9 Ų72.981%0.80642%0.416SS*.THydrogen-bonded Turntrans-91.42.5175.6-60.8172.8000112.8N716 V720N716-L718 PolarHBondContact O-N 3.25Å; N716-L718 VanDerWaalsContact O-N 3.07Å; N716-L718 WeakPolarHBondContact OD1-CA 3.41Å; N716-L718 WeakPolarHBondContact OD1-CB 3.39Å; N716-L718 PolarHBondContact OD1-N 3.43Å; N716-L718 VanDerWaalsContact OD1-N 3.09Å; L718-V720 VanDerWaalsContact C-N 3.29Å; L718-V720 HydrophobicContact CB-CG2 4.35Å; L718-V720 PolarHBondContact O-N 3.43Å
719G67.7Low70.3Confident52 Ų5272.8 Ų72.854%0.53642%0.415SS..SBendtrans75.513.8179.800000114.5N716N716-G719 PolarHBondContact O-N 3.38Å; N716-G719 PolarHBondContact OD1-N 3.35Å
720V73.9Confident69.8Low82 Ų8270.6 Ų70.650%0.49740%0.402SS..PPolyproline II helixtrans-86.4135.6176.7-174.40000109.3V715 N716 L718 E722V715-V720 WeakPolarHBondContact CA-O 3.48Å; N716-V720 PolarHBondContact N-O 3.18Å; N716-V720 PolarHBondContact OD1-N 3.45Å; N716-V720 PolarHBondContact OD1-O 3.37Å; L718-V720 VanDerWaalsContact C-N 3.29Å; L718-V720 HydrophobicContact CB-CG2 4.35Å; L718-V720 PolarHBondContact O-N 3.43Å; V720-E722 PolarHBondContact O-N 3.05Å
721D70Confident69.6Low89 Ų8971.4 Ų71.448%0.47641%0.405SS..BIsolated β-bridgetrans-58.9126.7177.8-65.2-15.4000111.3K713K713-D721 WeakPolarHBondContact CE-OD1 3.26Å; K713-D721 WeakPolarHBondContact CE-OD2 3.45Å; K713-D721 IonicContact NZ-OD1 3.84Å; K713-D721 PolarHBondContact NZ-OD1 2.89Å; K713-D721 IonicContact NZ-OD2 3.23Å; K713-D721 PolarHBondContact NZ-OD2 2.75Å
722E70.6Confident69.3Low62 Ų6267.4 Ų67.429%0.2939%0.391SS..PPolyproline II helixtrans-71.1140.4167-67.6-177.9-17100109.3R687 F714 V720 G724R687-E722 IonicContact CZ-OE2 3.3Å; R687-E722 IonicContact NE-OE1 3.98Å; R687-E722 PolarHBondContact NE-OE1 2.71Å; R687-E722 IonicContact NE-OE2 3.92Å; R687-E722 PolarHBondContact NE-OE2 2.85Å; R687-E722 IonicContact NH2-OE2 2.69Å; R687-E722 PolarHBondContact NH2-OE2 3.46Å; F714-E722 HydrophobicContact CB-CB 4.23Å; F714-E722 HydrophobicContact CB-CG 4.33Å; F714-E722 WeakPolarHBondContact CB-OE2 3.37Å; F714-E722 PolarHBondContact O-N 2.96Å; V720-E722 PolarHBondContact O-N 3.05Å; E722-G724 PolarHBondContact O-N 2.56Å
723A58.1Low69.1Low111 Ų11168.4 Ų68.492%0.91740%0.395SS*.SBendtrans-69.795.8-177.900000110.9
724G55.7Low69.1Low61 Ų6164 Ų6463%0.62938%0.376SS*.  trans-169114.5174.900000111.1E722E722-G724 PolarHBondContact O-N 2.56Å
725I49.4Very low69.3Low153 Ų15363.2 Ų63.279%0.78537%0.372SS*.  trans-87.8120.6172.4-61.3173.6000107.3Q727I725-Q727 PolarHBondContact O-N 2.99Å
726D51.9Low69.2Low23 Ų2363.6 Ų63.612%0.12337%0.373CS..  trans-66.591.8-178.1-168.615.6000111.6R711 V712 V730R711-D726 WeakPolarHBondContact CA-OD2 3.44Å; R711-D726 WeakPolarHBondContact CB-OD2 3.38Å; R711-D726 VanDerWaalsContact CG-OD2 3.22Å; R711-D726 WeakPolarHBondContact CG-OD2 3.3Å; V712-D726 PolarHBondContact N-OD2 3.06Å; D726-V730 HydrophobicContact CB-CB 4.4Å; D726-V730 HydrophobicContact CB-CG2 4.02Å; D726-V730 PolarHBondContact OD1-N 2.92Å
727Q52.9Low69.5Low150 Ų15064 Ų6470%0.70137%0.373SS*.SBendtrans-104.860.9166-67.8-145.2-8.400110.8I725 F1037I725-Q727 PolarHBondContact O-N 2.99Å; Q727-F1037 WeakPolarHBondContact O-CD1 3.4Å; Q727-F1037 WeakPolarHBondContact O-CE1 3.42Å
728D54.5Low70.2Confident119 Ų11958.3 Ų58.364%0.63634%0.343SS*.SBendtrans83.99170.3-55.8-31.6000118.1
729G61.9Low71Confident0 Ų051.2 Ų51.20%031%0.305CS..  trans-111.2-35.9-176.200000115.7F731 K732 E733 C1036 F1037G729-F731 VanDerWaalsContact C-N 3.33Å; G729-F731 PolarHBondContact O-N 3.37Å; G729-K732 WeakPolarHBondContact O-CB 3.48Å; G729-K732 PolarHBondContact O-N 3.03Å; G729-K732 VanDerWaalsContact O-N 3.11Å; G729-E733 PolarHBondContact O-N 3.39Å; G729-C1036 WeakPolarHBondContact CA-O 3.47Å; G729-C1036 VanDerWaalsContact O-CB 3.31Å; G729-C1036 WeakPolarHBondContact O-CB 3.5Å; G729-F1037 VanDerWaalsContact N-CE1 3.33Å
730V73.4Confident71.8Confident14 Ų1456.8 Ų56.89%0.08532%0.315CS..Hα-helixtrans-70.3-32.6-164-168.90000111.5V712 F714 D726 F734V712-V730 HydrophobicContact CB-CB 4.37Å; V712-V730 HydrophobicContact CB-CG1 3.88Å; V712-V730 HydrophobicContact CG1-CG1 4.16Å; V712-V730 WeakPolarHBondContact O-CG1 3.28Å; F714-V730 HydrophobicContact CD2-CG1 3.38Å; F714-V730 HydrophobicContact CE2-CG1 3.28Å; F714-V730 HydrophobicContact CZ-CG1 4.38Å; D726-V730 HydrophobicContact CB-CB 4.4Å; D726-V730 HydrophobicContact CB-CG2 4.02Å; D726-V730 PolarHBondContact OD1-N 2.92Å; V730-F734 WeakPolarHBondContact O-CB 3.4Å; V730-F734 PolarHBondContact O-N 2.93Å; V730-F734 VanDerWaalsContact O-N 3.1Å
731F81.8Confident72.4Confident22 Ų2259.9 Ų59.910%0.09632%0.318CS..Hα-helixtrans-65.7-38.2173.5177.7-105.4000113.4I710 V712 G729 F734 L735 K784 I790I710-F731 HydrophobicContact CB-CD2 3.73Å; I710-F731 HydrophobicContact CB-CE2 3.72Å; I710-F731 HydrophobicContact CB-CG 4.43Å; I710-F731 HydrophobicContact CB-CZ 4.41Å; I710-F731 HydrophobicContact CD1-CE2 3.9Å; I710-F731 HydrophobicContact CD1-CZ 4.22Å; I710-F731 HydrophobicContact CG1-CE2 4.36Å; I710-F731 HydrophobicContact CG2-CD2 3.72Å; I710-F731 HydrophobicContact CG2-CE2 3.83Å; I710-F731 WeakPolarHBondContact O-CB 3.32Å; V712-F731 HydrophobicContact CG2-CB 3.97Å; V712-F731 HydrophobicContact CG2-CD2 3.79Å; V712-F731 HydrophobicContact CG2-CG 4.39Å; G729-F731 VanDerWaalsContact C-N 3.33Å; G729-F731 PolarHBondContact O-N 3.37Å; F731-F734 HydrophobicContact CD2-CD1 4.35Å; F731-F734 HydrophobicContact CE2-CD1 4.44Å; F731-L735 HydrophobicContact CE1-CD2 4.11Å; F731-L735 HydrophobicContact CZ-CD2 4.28Å; F731-L735 VanDerWaalsContact O-CB 3.32Å; F731-L735 WeakPolarHBondContact O-CB 3.5Å; F731-L735 PolarHBondContact O-N 3.3Å; F731-K784 HydrophobicContact CE1-CG 4.31Å; F731-K784 HydrophobicContact CZ-CD 4.46Å; F731-K784 HydrophobicContact CZ-CG 3.81Å; F731-I790 HydrophobicContact CE1-CD1 4.38Å
732K79.6Confident73.4Confident14 Ų1455.8 Ų55.86%0.06130%0.296CS..Hα-helixtrans-65.1-44.9178.9-177.2-172.8166.1-155.80110.5G729 L735 E736 I790 T977 T1035 N1038G729-K732 WeakPolarHBondContact O-CB 3.48Å; G729-K732 PolarHBondContact O-N 3.03Å; G729-K732 VanDerWaalsContact O-N 3.11Å; K732-L735 PolarHBondContact O-N 2.88Å; K732-E736 WeakPolarHBondContact CE-OE1 3.44Å; K732-E736 IonicContact NZ-OE1 2.61Å; K732-E736 WeakPolarHBondContact O-CG 3.48Å; K732-E736 PolarHBondContact O-N 2.98Å; K732-I790 HydrophobicContact CG-CD1 4.4Å; K732-I790 HydrophobicContact CG-CG2 4.15Å; K732-T977 PolarHBondContact NZ-O 2.98Å; K732-T1035 PolarHBondContact NZ-O 2.91Å; K732-N1038 PolarHBondContact NZ-OD1 3.24Å
733E78.5Confident74.3Confident28 Ų2853.2 Ų53.213%0.13128%0.284CS..Hα-helixtrans-55.9-54.4174.7-173.7179.517500111.4R687 G729 L735 E736 E737 C1036R687-E733 IonicContact NH2-OE1 3.53Å; G729-E733 PolarHBondContact O-N 3.39Å; E733-L735 VanDerWaalsContact C-N 3.31Å; E733-L735 PolarHBondContact O-N 3.15Å; E733-E736 PolarHBondContact O-N 3.41Å; E733-E737 WeakPolarHBondContact O-CG 2.89Å; E733-E737 PolarHBondContact O-N 3.46Å; E733-C1036 HydrophobicContact CB-CB 4.4Å; E733-C1036 VanDerWaalsContact CB-SG 3.59Å; E733-C1036 VanDerWaalsContact CD-SG 3.57Å; E733-C1036 PolarHBondContact OE2-SG 3Å
734F84.3Confident75.8Confident0 Ų051.4 Ų51.40%026%0.258CS..Hα-helixtrans-55.5-44.2177.4167.9-99000112.8I683 I685 M690 L698 V712 F714 V730 F731 I738I683-F734 HydrophobicContact CD1-CD1 4.36Å; I683-F734 HydrophobicContact CD1-CE1 3.87Å; I683-F734 HydrophobicContact CD1-CZ 3.92Å; I685-F734 HydrophobicContact CB-CD2 4.41Å; I685-F734 HydrophobicContact CB-CE2 4.32Å; I685-F734 HydrophobicContact CD1-CD2 4.41Å; I685-F734 HydrophobicContact CD1-CE2 3.57Å; I685-F734 HydrophobicContact CD1-CZ 3.98Å; I685-F734 HydrophobicContact CG1-CD2 3.91Å; I685-F734 HydrophobicContact CG1-CE2 3.57Å; I685-F734 HydrophobicContact CG1-CZ 4.26Å; I685-F734 HydrophobicContact CG2-CD2 3.97Å; I685-F734 HydrophobicContact CG2-CE2 3.86Å; M690-F734 HydrophobicContact CG-CD2 3.84Å; M690-F734 HydrophobicContact CG-CE2 3.84Å; M690-F734 HydrophobicContact SD-CD2 4.03Å; L698-F734 HydrophobicContact CD1-CE1 3.6Å; L698-F734 HydrophobicContact CD1-CZ 3.84Å; V712-F734 HydrophobicContact CG1-CB 4.14Å; V712-F734 HydrophobicContact CG1-CD2 4.36Å; V712-F734 HydrophobicContact CG1-CG 4.23Å; V712-F734 HydrophobicContact CG2-CB 4.06Å; V712-F734 HydrophobicContact CG2-CD1 4.07Å; V712-F734 HydrophobicContact CG2-CG 4.1Å; F714-F734 HydrophobicContact CZ-CB 4.02Å; V730-F734 WeakPolarHBondContact O-CB 3.4Å; V730-F734 PolarHBondContact O-N 2.93Å; V730-F734 VanDerWaalsContact O-N 3.1Å; F731-F734 HydrophobicContact CD2-CD1 4.35Å; F731-F734 HydrophobicContact CE2-CD1 4.44Å; F734-I738 HydrophobicContact CD1-CD1 4.47Å; F734-I738 HydrophobicContact CD2-CD1 4.05Å; F734-I738 HydrophobicContact CD2-CG1 4.33Å; F734-I738 HydrophobicContact CE1-CD1 3.74Å; F734-I738 HydrophobicContact CE2-CD1 3.27Å; F734-I738 HydrophobicContact CE2-CG1 3.99Å; F734-I738 HydrophobicContact CZ-CD1 3.11Å; F734-I738 HydrophobicContact CZ-CG1 4.19Å; F734-I738 WeakPolarHBondContact O-CB 3.33Å; F734-I738 WeakPolarHBondContact O-CG1 3.33Å; F734-I738 PolarHBondContact O-N 3.08Å
735L85.9Confident77.3Confident0 Ų051.3 Ų51.30%025%0.247CC..Hα-helixtrans-66-44.2-179.2-17662000111.9F731 K732 E733 I739 M781 A785 I790F731-L735 HydrophobicContact CE1-CD2 4.11Å; F731-L735 HydrophobicContact CZ-CD2 4.28Å; F731-L735 VanDerWaalsContact O-CB 3.32Å; F731-L735 WeakPolarHBondContact O-CB 3.5Å; F731-L735 PolarHBondContact O-N 3.3Å; K732-L735 PolarHBondContact O-N 2.88Å; E733-L735 VanDerWaalsContact C-N 3.31Å; E733-L735 PolarHBondContact O-N 3.15Å; L735-I739 HydrophobicContact CD1-CD1 3.89Å; L735-I739 HydrophobicContact CD1-CG1 4.43Å; L735-I739 HydrophobicContact CG-CD1 3.95Å; L735-I739 VanDerWaalsContact O-CB 3.27Å; L735-I739 WeakPolarHBondContact O-CB 3.37Å; L735-I739 WeakPolarHBondContact O-CG1 3.48Å; L735-I739 PolarHBondContact O-N 3.08Å; L735-M781 HydrophobicContact CD1-CB 3.94Å; L735-M781 HydrophobicContact CD1-CG 4.48Å; L735-M781 HydrophobicContact CD1-SD 4.25Å; L735-A785 HydrophobicContact CD2-CB 3.81Å; L735-I790 HydrophobicContact CD2-CD1 3.89Å
736E81.3Confident79.2Confident21 Ų2148 Ų4810%0.09824%0.242CC..Hα-helixtrans-64.5-43.6177.7-74177.2175.900112K732 E733 I739 K740 S978K732-E736 WeakPolarHBondContact CE-OE1 3.44Å; K732-E736 IonicContact NZ-OE1 2.61Å; K732-E736 WeakPolarHBondContact O-CG 3.48Å; K732-E736 PolarHBondContact O-N 2.98Å; E733-E736 PolarHBondContact O-N 3.41Å; E736-I739 PolarHBondContact O-N 3.38Å; E736-K740 VanDerWaalsContact O-CB 3.32Å; E736-K740 WeakPolarHBondContact O-CB 2.98Å; E736-K740 PolarHBondContact O-N 3.36Å; E736-S978 VanDerWaalsContact CD-CB 3.47Å; E736-S978 WeakPolarHBondContact OE1-CB 3.33Å; E736-S978 WeakPolarHBondContact OE2-CB 3.3Å; E736-S978 PolarHBondContact OE2-OG 2.74Å
737E83.4Confident80.9Confident67 Ų6749.3 Ų49.331%0.31325%0.249SC..Hα-helixtrans-67.7-42.9179.9-72.9-167.2167.600112.5M690 E733 K740 R741M690-E737 HydrophobicContact CE-CB 4.32Å; M690-E737 WeakPolarHBondContact CE-OE2 3.45Å; M690-E737 HydrophobicContact SD-CB 3.58Å; M690-E737 VanDerWaalsContact SD-CB 3.58Å; E733-E737 WeakPolarHBondContact O-CG 2.89Å; E733-E737 PolarHBondContact O-N 3.46Å; E737-K740 PolarHBondContact O-N 3.23Å; E737-R741 WeakPolarHBondContact O-CB 3.2Å; E737-R741 PolarHBondContact O-N 3.24Å
738I88.4Confident82.7Confident3 Ų344.1 Ų44.12%0.01523%0.226CC..Hα-helixtrans-59.4-49.5173-76.9-167.8000110.4M690 F734 K740 R741 V742 F777 M781M690-I738 HydrophobicContact CG-CD1 4.18Å; M690-I738 HydrophobicContact CG-CG1 3.72Å; M690-I738 HydrophobicContact SD-CG1 3.99Å; F734-I738 HydrophobicContact CD1-CD1 4.47Å; F734-I738 HydrophobicContact CD2-CD1 4.05Å; F734-I738 HydrophobicContact CD2-CG1 4.33Å; F734-I738 HydrophobicContact CE1-CD1 3.74Å; F734-I738 HydrophobicContact CE2-CD1 3.27Å; F734-I738 HydrophobicContact CE2-CG1 3.99Å; F734-I738 HydrophobicContact CZ-CD1 3.11Å; F734-I738 HydrophobicContact CZ-CG1 4.19Å; F734-I738 WeakPolarHBondContact O-CB 3.33Å; F734-I738 WeakPolarHBondContact O-CG1 3.33Å; F734-I738 PolarHBondContact O-N 3.08Å; I738-K740 VanDerWaalsContact C-N 3.33Å; I738-K740 PolarHBondContact O-N 2.93Å; I738-R741 PolarHBondContact O-N 3.03Å; I738-R741 VanDerWaalsContact O-N 3.13Å; I738-V742 HydrophobicContact CG2-CG1 4.18Å; I738-V742 WeakPolarHBondContact O-CG1 3.2Å; I738-V742 WeakPolarHBondContact O-CG2 3.46Å; I738-V742 PolarHBondContact O-N 3.43Å; I738-F777 HydrophobicContact CD1-CZ 4.31Å; I738-F777 HydrophobicContact CG2-CE1 4.18Å; I738-M781 HydrophobicContact CG2-CG 4.42Å
739I87.6Confident84.5Confident4 Ų438.7 Ų38.72%0.02120%0.197CC..Hα-helixtrans-59-46.9-179.1-77.6175.7000109.9L735 E736 R741 V742 F743 A785 V792 V794L735-I739 HydrophobicContact CD1-CD1 3.89Å; L735-I739 HydrophobicContact CD1-CG1 4.43Å; L735-I739 HydrophobicContact CG-CD1 3.95Å; L735-I739 VanDerWaalsContact O-CB 3.27Å; L735-I739 WeakPolarHBondContact O-CB 3.37Å; L735-I739 WeakPolarHBondContact O-CG1 3.48Å; L735-I739 PolarHBondContact O-N 3.08Å; E736-I739 PolarHBondContact O-N 3.38Å; I739-R741 VanDerWaalsContact C-N 3.3Å; I739-R741 PolarHBondContact O-N 3.46Å; I739-V742 WeakPolarHBondContact O-CG2 3.39Å; I739-V742 PolarHBondContact O-N 3.01Å; I739-F743 HydrophobicContact CB-CD2 4.47Å; I739-F743 HydrophobicContact CG2-CD2 3.68Å; I739-F743 HydrophobicContact CG2-CE2 3.84Å; I739-F743 WeakPolarHBondContact O-CB 3.34Å; I739-F743 WeakPolarHBondContact O-CD2 3.06Å; I739-F743 PolarHBondContact O-N 2.95Å; I739-F743 VanDerWaalsContact O-N 3.14Å; I739-A785 HydrophobicContact CD1-CB 4.29Å; I739-V792 HydrophobicContact CD1-CG1 3.78Å; I739-V792 HydrophobicContact CG2-CB 4.18Å; I739-V792 HydrophobicContact CG2-CG1 4.4Å; I739-V792 HydrophobicContact CG2-CG2 4.43Å; I739-V794 HydrophobicContact CG2-CG2 3.52Å
740K84.6Confident86Confident170 Ų17038.7 Ų38.774%0.73920%0.197SC*.Hα-helixtrans-59.3-40.6176.6-172.7-179.9178.2-172.50112.3E736 E737 I738 D744E736-K740 VanDerWaalsContact O-CB 3.32Å; E736-K740 WeakPolarHBondContact O-CB 2.98Å; E736-K740 PolarHBondContact O-N 3.36Å; E737-K740 PolarHBondContact O-N 3.23Å; I738-K740 VanDerWaalsContact C-N 3.33Å; I738-K740 PolarHBondContact O-N 2.93Å; K740-D744 PolarHBondContact O-N 3.39Å
741R87Confident86.9Confident147 Ų14743.1 Ų43.156%0.55522%0.215SC*.Hα-helixtrans-71.7-45.1-178.9-168.3155178.893.6-4.9112.3E737 I738 I739 F743 D744 L747E737-R741 WeakPolarHBondContact O-CB 3.2Å; E737-R741 PolarHBondContact O-N 3.24Å; I738-R741 PolarHBondContact O-N 3.03Å; I738-R741 VanDerWaalsContact O-N 3.13Å; I739-R741 VanDerWaalsContact C-N 3.3Å; I739-R741 PolarHBondContact O-N 3.46Å; R741-F743 VanDerWaalsContact C-N 3.33Å; R741-F743 PolarHBondContact O-N 3.03Å; R741-D744 VanDerWaalsContact O-CB 3.27Å; R741-D744 WeakPolarHBondContact O-CB 3.39Å; R741-D744 PolarHBondContact O-N 3.41Å; R741-L747 HydrophobicContact CG-CD1 4.18Å; R741-L747 WeakPolarHBondContact O-CD1 3.43Å
742V89.8Confident87.3Confident2 Ų244.6 Ų44.61%0.01223%0.226CC..Hα-helixtrans-70-28.4-178.2-61.70000113.6L691 I738 I739 D744 F750 V778L691-V742 HydrophobicContact CD1-CG1 3.43Å; L691-V742 VanDerWaalsContact CD1-CG1 3.43Å; L691-V742 HydrophobicContact CD2-CG1 4.31Å; I738-V742 HydrophobicContact CG2-CG1 4.18Å; I738-V742 WeakPolarHBondContact O-CG1 3.2Å; I738-V742 WeakPolarHBondContact O-CG2 3.46Å; I738-V742 PolarHBondContact O-N 3.43Å; I739-V742 WeakPolarHBondContact O-CG2 3.39Å; I739-V742 PolarHBondContact O-N 3.01Å; V742-D744 VanDerWaalsContact C-N 3.34Å; V742-F750 WeakPolarHBondContact O-CD2 3.4Å; V742-V778 HydrophobicContact CB-CG2 3.74Å; V742-V778 HydrophobicContact CG1-CG2 3.93Å; V742-V778 HydrophobicContact CG2-CG1 4Å; V742-V778 HydrophobicContact CG2-CG2 3.74Å
743F90.4Very high87.8Confident9 Ų944.3 Ų44.34%0.03923%0.225CC..THydrogen-bonded Turntrans-87.6-1.6176.7-73.3-61.7000113.5I739 R741 P745 F750 L759 V778 V794 F796I739-F743 HydrophobicContact CB-CD2 4.47Å; I739-F743 HydrophobicContact CG2-CD2 3.68Å; I739-F743 HydrophobicContact CG2-CE2 3.84Å; I739-F743 WeakPolarHBondContact O-CB 3.34Å; I739-F743 WeakPolarHBondContact O-CD2 3.06Å; I739-F743 PolarHBondContact O-N 2.95Å; I739-F743 VanDerWaalsContact O-N 3.14Å; R741-F743 VanDerWaalsContact C-N 3.33Å; R741-F743 PolarHBondContact O-N 3.03Å; F743-P745 VanDerWaalsContact O-CD 3.31Å; F743-P745 WeakPolarHBondContact O-CD 3.47Å; F743-F750 AromaticContact CD1-CD1 3.91Å; F743-F750 HydrophobicContact CD1-CD1 3.91Å; F743-F750 AromaticContact CD1-CD2 3.52Å; F743-F750 HydrophobicContact CD1-CD2 3.52Å; F743-F750 AromaticContact CD1-CE1 3.97Å; F743-F750 HydrophobicContact CD1-CE1 3.97Å; F743-F750 AromaticContact CD1-CE2 3.57Å; F743-F750 HydrophobicContact CD1-CE2 3.57Å; F743-F750 AromaticContact CD1-CG 3.71Å; F743-F750 HydrophobicContact CD1-CG 3.71Å; F743-F750 AromaticContact CD1-CZ 3.81Å; F743-F750 HydrophobicContact CD1-CZ 3.81Å; F743-F750 AromaticContact CE1-CD1 3.94Å; F743-F750 HydrophobicContact CE1-CD1 3.94Å; F743-F750 AromaticContact CE1-CD2 3.9Å; F743-F750 HydrophobicContact CE1-CD2 3.9Å; F743-F750 AromaticContact CE1-CE1 3.52Å; F743-F750 HydrophobicContact CE1-CE1 3.52Å; F743-F750 AromaticContact CE1-CE2 3.46Å; F743-F750 HydrophobicContact CE1-CE2 3.46Å; F743-F750 VanDerWaalsContact CE1-CE2 3.46Å; F743-F750 HydrophobicContact CE1-CG 4.14Å; F743-F750 AromaticContact CE1-CZ 3.26Å; F743-F750 HydrophobicContact CE1-CZ 3.26Å; F743-F750 HydrophobicContact CG-CD2 4.47Å; F743-F750 HydrophobicContact CZ-CE2 4.4Å; F743-F750 HydrophobicContact CZ-CZ 4.18Å; F743-L759 HydrophobicContact CB-CD1 3.88Å; F743-L759 HydrophobicContact CD1-CD1 4.24Å; F743-L759 HydrophobicContact CG-CD1 4.29Å; F743-V778 HydrophobicContact CE1-CG1 4.09Å; F743-V778 HydrophobicContact CE2-CG1 4.08Å; F743-V778 HydrophobicContact CZ-CG1 3.53Å; F743-V794 HydrophobicContact CB-CG1 4.31Å; F743-V794 HydrophobicContact CD1-CG1 4.08Å; F743-V794 HydrophobicContact CD2-CB 4.46Å; F743-V794 HydrophobicContact CD2-CG1 3.77Å; F743-V794 HydrophobicContact CD2-CG2 3.84Å; F743-V794 HydrophobicContact CE1-CG1 4.4Å; F743-V794 HydrophobicContact CE2-CG1 4.15Å; F743-V794 HydrophobicContact CE2-CG2 4.29Å; F743-V794 HydrophobicContact CG-CG1 3.79Å; F743-V794 HydrophobicContact CZ-CG1 4.46Å; F743-F796 HydrophobicContact CD1-CE1 4.09Å; F743-F796 HydrophobicContact CD1-CZ 4.47Å; F743-F796 AromaticContact CE1-CE1 3.43Å; F743-F796 HydrophobicContact CE1-CE1 3.43Å; F743-F796 VanDerWaalsContact CE1-CE1 3.43Å; F743-F796 AromaticContact CE1-CZ 3.67Å; F743-F796 HydrophobicContact CE1-CZ 3.67Å; F743-F796 HydrophobicContact CE2-CZ 4.19Å; F743-F796 AromaticContact CZ-CE1 3.82Å; F743-F796 HydrophobicContact CZ-CE1 3.82Å; F743-F796 AromaticContact CZ-CZ 3.53Å; F743-F796 HydrophobicContact CZ-CZ 3.53Å
744D88.6Confident87.5Confident72 Ų7246.7 Ų46.739%0.38525%0.245SC..  trans-64.4119.8172.6-171.4-18.5000110K740 R741 V742 A746 L747K740-D744 PolarHBondContact O-N 3.39Å; R741-D744 VanDerWaalsContact O-CB 3.27Å; R741-D744 WeakPolarHBondContact O-CB 3.39Å; R741-D744 PolarHBondContact O-N 3.41Å; V742-D744 VanDerWaalsContact C-N 3.34Å; D744-A746 PolarHBondContact O-N 3.48Å; D744-A746 VanDerWaalsContact O-N 3.07Å; D744-A746 VanDerWaalsContact OD1-CB 3.27Å; D744-A746 WeakPolarHBondContact OD1-CB 3.32Å; D744-A746 PolarHBondContact OD1-N 2.9Å; D744-L747 PolarHBondContact O-N 3.25Å
745P87.9Confident86.8Confident59 Ų5950 Ų5038%0.38328%0.279SS..G310 helixtrans-56.5-23.6176.9-25.335.7000113.7F743 L747 N748 T752 L759F743-P745 VanDerWaalsContact O-CD 3.31Å; F743-P745 WeakPolarHBondContact O-CD 3.47Å; P745-L747 PolarHBondContact O-N 3.45Å; P745-N748 PolarHBondContact O-N 3.39Å; P745-T752 HydrophobicContact CG-CG2 3.92Å; P745-L759 HydrophobicContact CG-CD2 4.18Å
746A88.4Confident86Confident84 Ų8455.8 Ų55.869%0.69431%0.31SS*.G310 helixtrans-63.1-27.1176.300000113.3D744 N748D744-A746 PolarHBondContact O-N 3.48Å; D744-A746 VanDerWaalsContact O-N 3.07Å; D744-A746 VanDerWaalsContact OD1-CB 3.27Å; D744-A746 WeakPolarHBondContact OD1-CB 3.32Å; D744-A746 PolarHBondContact OD1-N 2.9Å; A746-N748 PolarHBondContact O-N 3.37Å
747L88.9Confident86.1Confident50 Ų5061.8 Ų61.826%0.26234%0.338SS..G310 helixtrans-77-9.5172.9-70.2-173.5000113L691 R741 D744 P745 L749 H768L691-L747 HydrophobicContact CD2-CD1 4.36Å; R741-L747 HydrophobicContact CG-CD1 4.18Å; R741-L747 WeakPolarHBondContact O-CD1 3.43Å; D744-L747 PolarHBondContact O-N 3.25Å; P745-L747 PolarHBondContact O-N 3.45Å; L747-L749 PolarHBondContact O-N 2.89Å; L747-H768 PolarHBondContact O-NE2 3.28Å
748N90.8Very high86.4Confident42 Ų4262.7 Ų62.723%0.22534%0.339CS..THydrogen-bonded Turntrans54.423.4-178-165.942.6000115.1P745 A746 S762 T764P745-N748 PolarHBondContact O-N 3.39Å; A746-N748 PolarHBondContact O-N 3.37Å; N748-S762 VanDerWaalsContact O-CB 3.28Å; N748-S762 WeakPolarHBondContact O-CB 3.49Å; N748-S762 PolarHBondContact OD1-OG 3.05Å; N748-T764 PolarHBondContact ND2-O 3.04Å; N748-T764 PolarHBondContact ND2-OG1 2.87Å; N748-T764 VanDerWaalsContact ND2-OG1 3.13Å; N748-T764 PolarHBondContact OD1-OG1 3.38Å
749L91.8Very high86.6Confident4 Ų463.1 Ų63.12%0.02134%0.341CS..SBendtrans-80-38.8163.9-68.8177.7000110.2L747 S762 L774 F775L747-L749 PolarHBondContact O-N 2.89Å; L749-S762 WeakPolarHBondContact O-CB 3.31Å; L749-S762 PolarHBondContact O-N 2.97Å; L749-L774 HydrophobicContact CD1-CB 4.46Å; L749-L774 HydrophobicContact CD2-CD1 4.39Å; L749-F775 HydrophobicContact CB-CZ 4.46Å; L749-F775 HydrophobicContact CD2-CE2 4.33Å; L749-F775 WeakPolarHBondContact O-CZ 3.49Å
750F94.1Very high86.8Confident1 Ų163.6 Ų63.60%0.00434%0.343CS..EExtended strand (participates in β ladder)trans-121.4155.7176.7-66.5-93.6000110.7V742 F743 L759 Y760 P761 F775 V778 L899V742-F750 WeakPolarHBondContact O-CD2 3.4Å; F743-F750 AromaticContact CD1-CD1 3.91Å; F743-F750 HydrophobicContact CD1-CD1 3.91Å; F743-F750 AromaticContact CD1-CD2 3.52Å; F743-F750 HydrophobicContact CD1-CD2 3.52Å; F743-F750 AromaticContact CD1-CE1 3.97Å; F743-F750 HydrophobicContact CD1-CE1 3.97Å; F743-F750 AromaticContact CD1-CE2 3.57Å; F743-F750 HydrophobicContact CD1-CE2 3.57Å; F743-F750 AromaticContact CD1-CG 3.71Å; F743-F750 HydrophobicContact CD1-CG 3.71Å; F743-F750 AromaticContact CD1-CZ 3.81Å; F743-F750 HydrophobicContact CD1-CZ 3.81Å; F743-F750 AromaticContact CE1-CD1 3.94Å; F743-F750 HydrophobicContact CE1-CD1 3.94Å; F743-F750 AromaticContact CE1-CD2 3.9Å; F743-F750 HydrophobicContact CE1-CD2 3.9Å; F743-F750 AromaticContact CE1-CE1 3.52Å; F743-F750 HydrophobicContact CE1-CE1 3.52Å; F743-F750 AromaticContact CE1-CE2 3.46Å; F743-F750 HydrophobicContact CE1-CE2 3.46Å; F743-F750 VanDerWaalsContact CE1-CE2 3.46Å; F743-F750 HydrophobicContact CE1-CG 4.14Å; F743-F750 AromaticContact CE1-CZ 3.26Å; F743-F750 HydrophobicContact CE1-CZ 3.26Å; F743-F750 HydrophobicContact CG-CD2 4.47Å; F743-F750 HydrophobicContact CZ-CE2 4.4Å; F743-F750 HydrophobicContact CZ-CZ 4.18Å; F750-L759 HydrophobicContact CB-CD2 4.05Å; F750-Y760 CarbonylContact C-O 3.48Å; F750-Y760 VanDerWaalsContact CA-O 3.29Å; F750-Y760 WeakPolarHBondContact CA-O 3.43Å; F750-Y760 WeakPolarHBondContact CD1-O 3.24Å; F750-P761 HydrophobicContact CE1-CG 4.2Å; F750-F775 HydrophobicContact CE1-CE1 4.01Å; F750-F775 HydrophobicContact CE2-CD1 4.33Å; F750-F775 AromaticContact CE2-CE1 3.9Å; F750-F775 HydrophobicContact CE2-CE1 3.9Å; F750-F775 AromaticContact CZ-CD1 3.9Å; F750-F775 HydrophobicContact CZ-CD1 3.9Å; F750-F775 AromaticContact CZ-CE1 3.59Å; F750-F775 HydrophobicContact CZ-CE1 3.59Å; F750-V778 HydrophobicContact CE2-CG1 4.2Å; F750-V778 HydrophobicContact CZ-CG1 4.16Å; F750-L899 HydrophobicContact CE1-CD1 4.12Å; F750-L899 HydrophobicContact CZ-CD1 3.71Å
751K91.3Very high87.3Confident107 Ų10755.5 Ų55.547%0.46531%0.308SS..EExtended strand (participates in β ladder)trans-127.1155.5175.3-171.6169177.8-177.70109.2L759 Y760K751-L759 WeakPolarHBondContact O-CA 2.9Å; K751-Y760 HydrophobicContact CB-CE1 4.15Å; K751-Y760 HydrophobicContact CB-CE2 4.29Å; K751-Y760 WeakPolarHBondContact CD-OH 3.46Å; K751-Y760 HydrophobicContact CG-CE1 4.32Å; K751-Y760 PolarHBondContact N-O 3.26Å; K751-Y760 VanDerWaalsContact O-CD1 3.25Å; K751-Y760 WeakPolarHBondContact O-CD1 3.47Å; K751-Y760 PolarHBondContact O-N 3.49Å
752T91.3Very high87.6Confident52 Ų5248.5 Ų48.532%0.31928%0.281SS..EExtended strand (participates in β ladder)trans-94.2147.1176.649.10000111.6P745 E757 R758 L759 Y760P745-T752 HydrophobicContact CG-CG2 3.92Å; T752-E757 HydrophobicContact CG2-CB 4.49Å; T752-R758 CarbonylContact C-O 3.53Å; T752-R758 VanDerWaalsContact CA-O 3.28Å; T752-R758 WeakPolarHBondContact CA-O 3.48Å; T752-L759 HydrophobicContact CG2-CD2 3.94Å; T752-Y760 WeakPolarHBondContact O-CE1 3.21Å
753T88.5Confident87.6Confident8 Ų849.2 Ų49.25%0.04929%0.286CS..  trans-71.7154.2173.7570000111.3G755 R758 Y760 A797 F799 S821T753-G755 PolarHBondContact O-N 2.93Å; T753-R758 HydrophobicContact CG2-CB 4.27Å; T753-R758 WeakPolarHBondContact CG2-O 3.27Å; T753-R758 PolarHBondContact N-O 2.86Å; T753-R758 PolarHBondContact OG1-N 2.86Å; T753-Y760 HydrophobicContact CG2-CD1 3.79Å; T753-Y760 HydrophobicContact CG2-CE1 3.94Å; T753-A797 HydrophobicContact CG2-CB 3.85Å; T753-F799 HydrophobicContact CG2-CE1 4.45Å; T753-S821 WeakPolarHBondContact CG2-O 3.21Å
754S74.1Confident87.6Confident79 Ų7950.5 Ų50.555%0.55229%0.294SS*.BIsolated β-bridgetrans-73.296.2177.2-54.80000109.7
755G68.6Low87.8Confident69 Ų6947 Ų4771%0.71128%0.276SS*.THydrogen-bonded Turntrans130.1-68.8175.800000114.1T753 E757T753-G755 PolarHBondContact O-N 2.93Å; G755-E757 PolarHBondContact O-N 2.91Å
756D69.3Low87.8Confident121 Ų12149.9 Ų49.965%0.64728%0.28SS*.THydrogen-bonded Turntrans-894-171.3-76-2.4000114.6R758D756-R758 HydrophobicContact CB-CG 3.93Å; D756-R758 PolarHBondContact O-N 2.77Å; D756-R758 IonicContact OD2-NE 2.89Å
757E83.2Confident87.7Confident147 Ų14749.9 Ų49.969%0.68727%0.267SS*.  trans51.330.4-177.9-59.6-172.4156.600114.4T752 G755T752-E757 HydrophobicContact CG2-CB 4.49Å; G755-E757 PolarHBondContact O-N 2.91Å
758R89.2Confident87.6Confident86 Ų8650.6 Ų50.633%0.32527%0.269SS..  trans-82.7142.8-179.2-68.2177.5176.7-104.63.3111.5T752 T753 D756 F796 A797T752-R758 CarbonylContact C-O 3.53Å; T752-R758 VanDerWaalsContact CA-O 3.28Å; T752-R758 WeakPolarHBondContact CA-O 3.48Å; T753-R758 HydrophobicContact CG2-CB 4.27Å; T753-R758 WeakPolarHBondContact CG2-O 3.27Å; T753-R758 PolarHBondContact N-O 2.86Å; T753-R758 PolarHBondContact OG1-N 2.86Å; D756-R758 HydrophobicContact CB-CG 3.93Å; D756-R758 PolarHBondContact O-N 2.77Å; D756-R758 IonicContact OD2-NE 2.89Å; R758-F796 PolarHBondContact NH1-O 2.93Å; R758-A797 HydrophobicContact CB-CB 4.11Å
759L92.4Very high87.3Confident13 Ų1357.5 Ų57.57%0.06830%0.3CS..EExtended strand (participates in β ladder)trans-87.5139.2-172.9-66.8163.6000113.1F743 P745 F750 K751 T752 V794 P795 F796 A797F743-L759 HydrophobicContact CB-CD1 3.88Å; F743-L759 HydrophobicContact CD1-CD1 4.24Å; F743-L759 HydrophobicContact CG-CD1 4.29Å; P745-L759 HydrophobicContact CG-CD2 4.18Å; F750-L759 HydrophobicContact CB-CD2 4.05Å; K751-L759 WeakPolarHBondContact O-CA 2.9Å; T752-L759 HydrophobicContact CG2-CD2 3.94Å; L759-V794 HydrophobicContact CD1-CG1 3.62Å; L759-P795 PolarHBondContact N-O 3.48Å; L759-F796 HydrophobicContact CB-CD1 4.3Å; L759-A797 PolarHBondContact O-N 3.14Å
760Y93.7Very high87.2Confident14 Ų1461.4 Ų61.46%0.05532%0.321CS..EExtended strand (participates in β ladder)trans-145.8160.4168.567-82.6000110.5F750 K751 T752 T753 S762 F799 L822F750-Y760 CarbonylContact C-O 3.48Å; F750-Y760 VanDerWaalsContact CA-O 3.29Å; F750-Y760 WeakPolarHBondContact CA-O 3.43Å; F750-Y760 WeakPolarHBondContact CD1-O 3.24Å; K751-Y760 HydrophobicContact CB-CE1 4.15Å; K751-Y760 HydrophobicContact CB-CE2 4.29Å; K751-Y760 WeakPolarHBondContact CD-OH 3.46Å; K751-Y760 HydrophobicContact CG-CE1 4.32Å; K751-Y760 PolarHBondContact N-O 3.26Å; K751-Y760 VanDerWaalsContact O-CD1 3.25Å; K751-Y760 WeakPolarHBondContact O-CD1 3.47Å; K751-Y760 PolarHBondContact O-N 3.49Å; T752-Y760 WeakPolarHBondContact O-CE1 3.21Å; T753-Y760 HydrophobicContact CG2-CD1 3.79Å; T753-Y760 HydrophobicContact CG2-CE1 3.94Å; Y760-S762 PolarHBondContact O-N 3.02Å; Y760-F799 HydrophobicContact CD1-CE1 4.46Å; Y760-F799 HydrophobicContact CD1-CZ 4.26Å; Y760-F799 AromaticContact CD2-CZ 3.92Å; Y760-F799 HydrophobicContact CD2-CZ 3.92Å; Y760-F799 HydrophobicContact CG-CE1 4.27Å; Y760-F799 AromaticContact CG-CZ 3.65Å; Y760-F799 HydrophobicContact CG-CZ 3.65Å; Y760-L822 HydrophobicContact CD1-CD1 4.26Å; Y760-L822 HydrophobicContact CD2-CD1 4.42Å; Y760-L822 HydrophobicContact CE1-CD1 3.82Å; Y760-L822 HydrophobicContact CE2-CD1 4.01Å
761P95Very high87.1Confident0 Ų063.4 Ų63.40%033%0.329CS..EExtended strand (participates in β ladder)trans-57.7135.9-179.8-26.535.6000112.6F750 P763 F775 F800 I892 Q895F750-P761 HydrophobicContact CE1-CG 4.2Å; P761-P763 WeakPolarHBondContact O-CD 3.32Å; P761-F775 HydrophobicContact CB-CE1 3.87Å; P761-F775 HydrophobicContact CB-CZ 4.01Å; P761-F775 HydrophobicContact CG-CE1 4.35Å; P761-F800 VanDerWaalsContact CD-CD2 3.45Å; P761-F800 HydrophobicContact CG-CD2 3.88Å; P761-F800 HydrophobicContact CG-CE2 3.43Å; P761-F800 VanDerWaalsContact CG-CE2 3.43Å; P761-F800 HydrophobicContact CG-CZ 3.94Å; P761-I892 HydrophobicContact CB-CB 4.33Å; P761-I892 HydrophobicContact CB-CG2 4.33Å; P761-I892 VanDerWaalsContact O-CG2 3.29Å; P761-I892 WeakPolarHBondContact O-CG2 3.27Å; P761-Q895 HydrophobicContact CB-CB 3.88Å
762S93Very high87.2Confident0 Ų060.9 Ų60.90%032%0.32CS..  trans-72.6127.2177.6-178.10000110.8N748 L749 Y760 T764 S765N748-S762 VanDerWaalsContact O-CB 3.28Å; N748-S762 WeakPolarHBondContact O-CB 3.49Å; N748-S762 PolarHBondContact OD1-OG 3.05Å; L749-S762 WeakPolarHBondContact O-CB 3.31Å; L749-S762 PolarHBondContact O-N 2.97Å; Y760-S762 PolarHBondContact O-N 3.02Å; S762-T764 PolarHBondContact O-N 3.1Å; S762-T764 PolarHBondContact OG-N 2.99Å; S762-T764 PolarHBondContact OG-OG1 3.17Å; S762-S765 VanDerWaalsContact O-CB 3.31Å; S762-S765 WeakPolarHBondContact O-CB 3.19Å; S762-S765 PolarHBondContact O-N 3.2Å; S762-S765 PolarHBondContact O-OG 3.5Å
763P90.3Very high87.3Confident17 Ų1761.3 Ų61.311%0.1132%0.319CS..THydrogen-bonded Turntrans-59.7-29.5173-23.233.7000112.9P761 Y766 Q891 I892P761-P763 WeakPolarHBondContact O-CD 3.32Å; P763-Y766 VanDerWaalsContact O-CD1 3.27Å; P763-Y766 WeakPolarHBondContact O-CD1 3.19Å; P763-Y766 WeakPolarHBondContact O-CE1 3.36Å; P763-Q891 HydrophobicContact CB-CB 4.42Å; P763-Q891 HydrophobicContact CB-CG 4.31Å; P763-Q891 HydrophobicContact CG-CG 4.1Å; P763-I892 HydrophobicContact CG-CG2 3.99Å
764T90.2Very high87.5Confident35 Ų3562.4 Ų62.422%0.21532%0.324CS..THydrogen-bonded Turntrans-94.413.2-178.860.70000113.6N748 S762 Y766 I767 V853N748-T764 PolarHBondContact ND2-O 3.04Å; N748-T764 PolarHBondContact ND2-OG1 2.87Å; N748-T764 VanDerWaalsContact ND2-OG1 3.13Å; N748-T764 PolarHBondContact OD1-OG1 3.38Å; S762-T764 PolarHBondContact O-N 3.1Å; S762-T764 PolarHBondContact OG-N 2.99Å; S762-T764 PolarHBondContact OG-OG1 3.17Å; T764-Y766 HydrophobicContact CG2-CE1 4.47Å; T764-Y766 PolarHBondContact O-N 2.94Å; T764-Y766 VanDerWaalsContact O-N 3.08Å; T764-I767 WeakPolarHBondContact O-CD1 3.47Å; T764-I767 WeakPolarHBondContact O-CG1 3.26Å; T764-I767 PolarHBondContact O-N 2.84Å; T764-V853 HydrophobicContact CG2-CG1 4.46Å
765S91.8Very high88.5Confident0 Ų058.7 Ų58.70%030%0.298CS..G310 helixtrans-60.2-18.617847.60000114.4S762 I767 H768 Y771 Q895S762-S765 VanDerWaalsContact O-CB 3.31Å; S762-S765 WeakPolarHBondContact O-CB 3.19Å; S762-S765 PolarHBondContact O-N 3.2Å; S762-S765 PolarHBondContact O-OG 3.5Å; S765-I767 PolarHBondContact O-N 2.88Å; S765-H768 PolarHBondContact O-N 3.04Å; S765-Y771 WeakPolarHBondContact O-CB 3.21Å; S765-Q895 WeakPolarHBondContact OG-CG 3.25Å; S765-Q895 PolarHBondContact OG-NE2 3.1Å
766Y88.3Confident89.7Confident118 Ų11858.1 Ų58.146%0.46328%0.276SS..G310 helixtrans-61.8-9.7175.762.8-102.5000114.4P763 T764 H768 V853P763-Y766 VanDerWaalsContact O-CD1 3.27Å; P763-Y766 WeakPolarHBondContact O-CD1 3.19Å; P763-Y766 WeakPolarHBondContact O-CE1 3.36Å; T764-Y766 HydrophobicContact CG2-CE1 4.47Å; T764-Y766 PolarHBondContact O-N 2.94Å; T764-Y766 VanDerWaalsContact O-N 3.08Å; Y766-H768 PolarHBondContact O-N 2.96Å; Y766-V853 WeakPolarHBondContact OH-CG1 3.47Å
767I86.9Confident90.9Very high85 Ų8552.5 Ų52.544%0.43625%0.246SC..G310 helixtrans-57.8-28.6169.4-65.6160.2000110.9T764 S765 M854T764-I767 WeakPolarHBondContact O-CD1 3.47Å; T764-I767 WeakPolarHBondContact O-CG1 3.26Å; T764-I767 PolarHBondContact O-N 2.84Å; S765-I767 PolarHBondContact O-N 2.88Å; I767-M854 HydrophobicContact CD1-CE 3.21Å; I767-M854 HydrophobicContact CG1-CE 3.85Å
768H86.2Confident91.3Very high65 Ų6545.6 Ų45.630%0.30121%0.214SC..SBendtrans-86.2127.1171.1-60.1-80.6000110.4L747 S765 Y766 N770 Y771L747-H768 PolarHBondContact O-NE2 3.28Å; S765-H768 PolarHBondContact O-N 3.04Å; Y766-H768 PolarHBondContact O-N 2.96Å; H768-N770 VanDerWaalsContact C-N 3.26Å; H768-N770 PolarHBondContact O-N 3.38Å; H768-Y771 WeakPolarHBondContact O-CB 3.38Å; H768-Y771 VanDerWaalsContact O-CD1 3.27Å; H768-Y771 WeakPolarHBondContact O-CD1 3.49Å; H768-Y771 PolarHBondContact O-N 2.8Å
769E85.4Confident91.6Very high187 Ų18741.5 Ų41.587%0.87420%0.199SC*.THydrogen-bonded Turntrans-56.8-36.6-177.8-64.4-175.8167.200113.5
770N88.2Confident91.6Very high86 Ų8642.2 Ų42.246%0.4620%0.201SC..THydrogen-bonded Turntrans-107.927.3-176.9-66.5-52.7000113.6H768 L772 Q773 L774H768-N770 VanDerWaalsContact C-N 3.26Å; H768-N770 PolarHBondContact O-N 3.38Å; N770-L772 VanDerWaalsContact C-N 3.33Å; N770-L772 PolarHBondContact O-N 3.24Å; N770-Q773 VanDerWaalsContact C-OE1 3.29Å; N770-Q773 PolarHBondContact O-N 3.48Å; N770-Q773 PolarHBondContact O-OE1 3.01Å; N770-L774 WeakPolarHBondContact O-CG 3.47Å; N770-L774 PolarHBondContact O-N 3.38Å
771Y91.9Very high91.6Very high43 Ų4341.6 Ų41.617%0.16920%0.199CC..Hα-helixtrans-55.7-41.7-173.374.1-73.4000113.8S765 H768 Q773 L774 F775 Q895S765-Y771 WeakPolarHBondContact O-CB 3.21Å; H768-Y771 WeakPolarHBondContact O-CB 3.38Å; H768-Y771 VanDerWaalsContact O-CD1 3.27Å; H768-Y771 WeakPolarHBondContact O-CD1 3.49Å; H768-Y771 PolarHBondContact O-N 2.8Å; Y771-Q773 PolarHBondContact O-N 3.4Å; Y771-L774 WeakPolarHBondContact O-CB 3.41Å; Y771-L774 PolarHBondContact O-N 3.04Å; Y771-F775 HydrophobicContact CD2-CD2 4.26Å; Y771-F775 HydrophobicContact CD2-CE2 4.11Å; Y771-F775 WeakPolarHBondContact O-CD2 3.38Å; Y771-F775 PolarHBondContact O-N 3.09Å; Y771-Q895 HydrophobicContact CD2-CG 4.05Å; Y771-Q895 HydrophobicContact CE2-CG 3.99Å
772L94.5Very high91.5Very high54 Ų5441.6 Ų41.628%0.28320%0.199SC..Hα-helixtrans-64.2-43.7-179.5-65178.6000112N770 L774 F775 E776 N894 A898N770-L772 VanDerWaalsContact C-N 3.33Å; N770-L772 PolarHBondContact O-N 3.24Å; L772-L774 VanDerWaalsContact C-N 3.29Å; L772-L774 PolarHBondContact O-N 2.74Å; L772-F775 PolarHBondContact O-N 3.19Å; L772-E776 PolarHBondContact O-N 2.85Å; L772-N894 HydrophobicContact CD2-CB 3.74Å; L772-A898 HydrophobicContact CB-CB 4.39Å; L772-A898 HydrophobicContact CD2-CB 4.4Å; L772-A898 VanDerWaalsContact O-CB 3.31Å; L772-A898 WeakPolarHBondContact O-CB 3.43Å
773Q92.6Very high91.5Very high61 Ų6141.6 Ų41.629%0.28520%0.199SC..Hα-helixtrans-68.6-33.1178.5-6083.1-9.400110.9Y695 N770 Y771 E776 F777Y695-Q773 HydrophobicContact CE2-CB 4.37Å; Y695-Q773 WeakPolarHBondContact OH-CB 3.42Å; N770-Q773 VanDerWaalsContact C-OE1 3.29Å; N770-Q773 PolarHBondContact O-N 3.48Å; N770-Q773 PolarHBondContact O-OE1 3.01Å; Y771-Q773 PolarHBondContact O-N 3.4Å; Q773-E776 PolarHBondContact O-N 3.32Å; Q773-F777 WeakPolarHBondContact O-CB 3.43Å; Q773-F777 PolarHBondContact O-N 2.69Å
774L92.1Very high91.6Very high30 Ų3040.8 Ų40.816%0.15719%0.194CC..Hα-helixtrans-63.8-45.5170.8-72.2169.4000111.1Y695 L749 N770 Y771 L772 E776 F777 V778Y695-L774 HydrophobicContact CD2-CD2 3.84Å; Y695-L774 HydrophobicContact CE2-CD2 3.94Å; Y695-L774 HydrophobicContact CE2-CG 4.47Å; Y695-L774 HydrophobicContact CG-CD2 4.38Å; L749-L774 HydrophobicContact CD1-CB 4.46Å; L749-L774 HydrophobicContact CD2-CD1 4.39Å; N770-L774 WeakPolarHBondContact O-CG 3.47Å; N770-L774 PolarHBondContact O-N 3.38Å; Y771-L774 WeakPolarHBondContact O-CB 3.41Å; Y771-L774 PolarHBondContact O-N 3.04Å; L772-L774 VanDerWaalsContact C-N 3.29Å; L772-L774 PolarHBondContact O-N 2.74Å; L774-E776 VanDerWaalsContact C-N 3.34Å; L774-E776 PolarHBondContact O-N 3.41Å; L774-F777 WeakPolarHBondContact O-CB 3.26Å; L774-F777 PolarHBondContact O-N 3.1Å; L774-F777 VanDerWaalsContact O-N 3.14Å; L774-V778 VanDerWaalsContact O-CG2 3.29Å; L774-V778 WeakPolarHBondContact O-CG2 3.49Å; L774-V778 PolarHBondContact O-N 3.37Å
775F95.3Very high91.6Very high1 Ų139.1 Ų39.10%0.00418%0.184CC..Hα-helixtrans-59.3-42.5174.4-82.1-69.9000112.7L749 F750 P761 Y771 L772 F777 V778 G779 Q895 A898 L899L749-F775 HydrophobicContact CB-CZ 4.46Å; L749-F775 HydrophobicContact CD2-CE2 4.33Å; L749-F775 WeakPolarHBondContact O-CZ 3.49Å; F750-F775 HydrophobicContact CE1-CE1 4.01Å; F750-F775 HydrophobicContact CE2-CD1 4.33Å; F750-F775 AromaticContact CE2-CE1 3.9Å; F750-F775 HydrophobicContact CE2-CE1 3.9Å; F750-F775 AromaticContact CZ-CD1 3.9Å; F750-F775 HydrophobicContact CZ-CD1 3.9Å; F750-F775 AromaticContact CZ-CE1 3.59Å; F750-F775 HydrophobicContact CZ-CE1 3.59Å; P761-F775 HydrophobicContact CB-CE1 3.87Å; P761-F775 HydrophobicContact CB-CZ 4.01Å; P761-F775 HydrophobicContact CG-CE1 4.35Å; Y771-F775 HydrophobicContact CD2-CD2 4.26Å; Y771-F775 HydrophobicContact CD2-CE2 4.11Å; Y771-F775 WeakPolarHBondContact O-CD2 3.38Å; Y771-F775 PolarHBondContact O-N 3.09Å; L772-F775 PolarHBondContact O-N 3.19Å; F775-F777 VanDerWaalsContact C-N 3.32Å; F775-F777 PolarHBondContact O-N 3.44Å; F775-V778 PolarHBondContact O-N 3.48Å; F775-G779 PolarHBondContact O-N 3.47Å; F775-Q895 HydrophobicContact CD1-CB 4.39Å; F775-Q895 HydrophobicContact CD2-CB 3.77Å; F775-Q895 HydrophobicContact CD2-CG 3.82Å; F775-Q895 HydrophobicContact CE1-CB 4.18Å; F775-Q895 HydrophobicContact CE2-CB 3.56Å; F775-Q895 HydrophobicContact CE2-CG 3.29Å; F775-Q895 HydrophobicContact CG-CB 4.19Å; F775-Q895 HydrophobicContact CZ-CB 3.75Å; F775-Q895 HydrophobicContact CZ-CG 3.74Å; F775-A898 HydrophobicContact CB-CB 3.96Å; F775-L899 HydrophobicContact CB-CB 4.23Å; F775-L899 HydrophobicContact CD1-CB 4.37Å; F775-L899 HydrophobicContact CD1-CD1 4.13Å; F775-L899 WeakPolarHBondContact O-CA 3.45Å
776E94.8Very high91.6Very high57 Ų5739.2 Ų39.227%0.26618%0.184SC..Hα-helixtrans-60.4-43.2174.6-167.7-163.6148.200111.5L772 Q773 L774 G779 K780 A898 G902L772-E776 PolarHBondContact O-N 2.85Å; Q773-E776 PolarHBondContact O-N 3.32Å; L774-E776 VanDerWaalsContact C-N 3.34Å; L774-E776 PolarHBondContact O-N 3.41Å; E776-G779 PolarHBondContact O-N 3.15Å; E776-K780 WeakPolarHBondContact O-CG 3.4Å; E776-K780 PolarHBondContact O-N 2.68Å; E776-K780 WeakPolarHBondContact OE1-CE 3.39Å; E776-K780 IonicContact OE1-NZ 3.84Å; E776-K780 PolarHBondContact OE1-NZ 3.21Å; E776-A898 VanDerWaalsContact CA-O 3.3Å; E776-A898 WeakPolarHBondContact CA-O 3.39Å; E776-G902 WeakPolarHBondContact O-CA 3.32Å
777F93.2Very high91.8Very high3 Ų333.7 Ų33.71%0.01316%0.162CC..Hα-helixtrans-62.8-46.8175.4172.8-110.3000112.4L691 Y695 L698 I738 Q773 L774 F775 G779 K780 M781L691-F777 HydrophobicContact CD1-CE1 4.11Å; Y695-F777 HydrophobicContact CD2-CB 3.71Å; Y695-F777 AromaticContact CD2-CD1 3.86Å; Y695-F777 HydrophobicContact CD2-CD1 3.86Å; Y695-F777 HydrophobicContact CD2-CD2 4.27Å; Y695-F777 AromaticContact CD2-CG 3.68Å; Y695-F777 HydrophobicContact CD2-CG 3.68Å; Y695-F777 HydrophobicContact CE2-CB 3.95Å; Y695-F777 HydrophobicContact CE2-CG 4.4Å; L698-F777 HydrophobicContact CB-CE2 3.86Å; L698-F777 HydrophobicContact CD1-CE2 4.22Å; L698-F777 HydrophobicContact CD1-CZ 4.47Å; I738-F777 HydrophobicContact CD1-CZ 4.31Å; I738-F777 HydrophobicContact CG2-CE1 4.18Å; Q773-F777 WeakPolarHBondContact O-CB 3.43Å; Q773-F777 PolarHBondContact O-N 2.69Å; L774-F777 WeakPolarHBondContact O-CB 3.26Å; L774-F777 PolarHBondContact O-N 3.1Å; L774-F777 VanDerWaalsContact O-N 3.14Å; F775-F777 VanDerWaalsContact C-N 3.32Å; F775-F777 PolarHBondContact O-N 3.44Å; F777-G779 VanDerWaalsContact C-N 3.29Å; F777-G779 PolarHBondContact O-N 2.82Å; F777-K780 WeakPolarHBondContact O-CB 3.02Å; F777-K780 PolarHBondContact O-N 2.72Å; F777-K780 VanDerWaalsContact O-N 3.08Å; F777-M781 HydrophobicContact CD2-CE 3.84Å; F777-M781 HydrophobicContact CD2-CG 4.34Å; F777-M781 HydrophobicContact CE1-CG 4.05Å; F777-M781 HydrophobicContact CE2-CE 3.4Å; F777-M781 VanDerWaalsContact CE2-CE 3.4Å; F777-M781 HydrophobicContact CE2-CG 3.84Å; F777-M781 HydrophobicContact CE2-SD 3.73Å; F777-M781 HydrophobicContact CZ-CE 4.15Å; F777-M781 HydrophobicContact CZ-CG 3.69Å; F777-M781 HydrophobicContact CZ-SD 3.86Å; F777-M781 WeakPolarHBondContact O-CG 3.39Å; F777-M781 PolarHBondContact O-N 3.14Å
778V93.6Very high91.8Very high2 Ų232.1 Ų32.11%0.01215%0.153CC..Hα-helixtrans-58.6-43.1175.4173.70000110.7V742 F743 F750 L774 F775 K780 M781 L782 L899V742-V778 HydrophobicContact CB-CG2 3.74Å; V742-V778 HydrophobicContact CG1-CG2 3.93Å; V742-V778 HydrophobicContact CG2-CG1 4Å; V742-V778 HydrophobicContact CG2-CG2 3.74Å; F743-V778 HydrophobicContact CE1-CG1 4.09Å; F743-V778 HydrophobicContact CE2-CG1 4.08Å; F743-V778 HydrophobicContact CZ-CG1 3.53Å; F750-V778 HydrophobicContact CE2-CG1 4.2Å; F750-V778 HydrophobicContact CZ-CG1 4.16Å; L774-V778 VanDerWaalsContact O-CG2 3.29Å; L774-V778 WeakPolarHBondContact O-CG2 3.49Å; L774-V778 PolarHBondContact O-N 3.37Å; F775-V778 PolarHBondContact O-N 3.48Å; V778-K780 VanDerWaalsContact C-N 3.35Å; V778-K780 PolarHBondContact O-N 3.08Å; V778-M781 PolarHBondContact O-N 3.45Å; V778-L782 WeakPolarHBondContact O-CB 3.4Å; V778-L782 PolarHBondContact O-N 3.29Å; V778-L899 HydrophobicContact CG1-CD1 4.28Å
779G94.1Very high91.7Very high0 Ų030.2 Ų30.20%015%0.151CC..Hα-helixtrans-58.1-44.4173.600000112.7F775 E776 F777 L782 G783 L899 G902 F903F775-G779 PolarHBondContact O-N 3.47Å; E776-G779 PolarHBondContact O-N 3.15Å; F777-G779 VanDerWaalsContact C-N 3.29Å; F777-G779 PolarHBondContact O-N 2.82Å; G779-L782 PolarHBondContact O-N 3.44Å; G779-G783 PolarHBondContact O-N 2.94Å; G779-L899 WeakPolarHBondContact CA-O 3.17Å; G779-G902 VanDerWaalsContact C-C 3.49Å; G779-F903 VanDerWaalsContact C-N 3.35Å; G779-F903 WeakPolarHBondContact O-CA 3.31Å; G779-F903 PolarHBondContact O-N 3.4Å
780K92.8Very high91.7Very high28 Ų2822.3 Ų22.312%0.12212%0.115CC..Hα-helixtrans-61.4-44.4175.1-74175.6-174.9166.80112E776 F777 V778 G783 K784 G902 S905E776-K780 WeakPolarHBondContact O-CG 3.4Å; E776-K780 PolarHBondContact O-N 2.68Å; E776-K780 WeakPolarHBondContact OE1-CE 3.39Å; E776-K780 IonicContact OE1-NZ 3.84Å; E776-K780 PolarHBondContact OE1-NZ 3.21Å; F777-K780 WeakPolarHBondContact O-CB 3.02Å; F777-K780 PolarHBondContact O-N 2.72Å; F777-K780 VanDerWaalsContact O-N 3.08Å; V778-K780 VanDerWaalsContact C-N 3.35Å; V778-K780 PolarHBondContact O-N 3.08Å; K780-G783 PolarHBondContact O-N 2.86Å; K780-K784 WeakPolarHBondContact O-CB 2.93Å; K780-K784 PolarHBondContact O-N 3.35Å; K780-G902 WeakPolarHBondContact CG-O 3.49Å; K780-S905 WeakPolarHBondContact CG-OG 3.31Å
781M92.7Very high91.4Very high1 Ų119.1 Ų19.11%0.00510%0.098CC..Hα-helixtrans-65-44.7179.2-65.5-49.798.900111.6L698 M706 L735 I738 F777 V778 G783 K784 A785L698-M781 HydrophobicContact CB-CE 4.29Å; L698-M781 HydrophobicContact CD1-CE 4.06Å; L698-M781 HydrophobicContact CD1-SD 3.76Å; M706-M781 HydrophobicContact CE-CE 3.19Å; M706-M781 HydrophobicContact CE-SD 4.14Å; M706-M781 HydrophobicContact SD-CE 4.11Å; L735-M781 HydrophobicContact CD1-CB 3.94Å; L735-M781 HydrophobicContact CD1-CG 4.48Å; L735-M781 HydrophobicContact CD1-SD 4.25Å; I738-M781 HydrophobicContact CG2-CG 4.42Å; F777-M781 HydrophobicContact CD2-CE 3.84Å; F777-M781 HydrophobicContact CD2-CG 4.34Å; F777-M781 HydrophobicContact CE1-CG 4.05Å; F777-M781 HydrophobicContact CE2-CE 3.4Å; F777-M781 VanDerWaalsContact CE2-CE 3.4Å; F777-M781 HydrophobicContact CE2-CG 3.84Å; F777-M781 HydrophobicContact CE2-SD 3.73Å; F777-M781 HydrophobicContact CZ-CE 4.15Å; F777-M781 HydrophobicContact CZ-CG 3.69Å; F777-M781 HydrophobicContact CZ-SD 3.86Å; F777-M781 WeakPolarHBondContact O-CG 3.39Å; F777-M781 PolarHBondContact O-N 3.14Å; V778-M781 PolarHBondContact O-N 3.45Å; M781-G783 PolarHBondContact O-N 2.88Å; M781-K784 WeakPolarHBondContact O-CB 3.48Å; M781-K784 PolarHBondContact O-N 3.07Å; M781-A785 PolarHBondContact O-N 3.26Å
782L93.6Very high91.1Very high0 Ų017.4 Ų17.40%09%0.092CC..Hα-helixtrans-62.7-42.8175.9-17464.2000111.5V778 G779 K784 A785 V786 V792 F796 F903 I924V778-L782 WeakPolarHBondContact O-CB 3.4Å; V778-L782 PolarHBondContact O-N 3.29Å; G779-L782 PolarHBondContact O-N 3.44Å; L782-K784 VanDerWaalsContact C-N 3.32Å; L782-K784 PolarHBondContact O-N 2.92Å; L782-A785 PolarHBondContact O-N 3.26Å; L782-V786 WeakPolarHBondContact O-CG2 3.26Å; L782-V786 PolarHBondContact O-N 3.33Å; L782-V786 VanDerWaalsContact O-N 3.11Å; L782-V792 HydrophobicContact CD1-CG2 4.02Å; L782-F796 HydrophobicContact CD1-CE2 4.37Å; L782-F796 HydrophobicContact CD2-CE2 3.98Å; L782-F796 HydrophobicContact CD2-CZ 3.88Å; L782-F903 HydrophobicContact CB-CD2 4.3Å; L782-F903 HydrophobicContact CD2-CD2 4.3Å; L782-F903 HydrophobicContact CD2-CE2 4.44Å; L782-F903 HydrophobicContact CG-CD2 4.18Å; L782-F903 HydrophobicContact CG-CE2 4.16Å; L782-I924 HydrophobicContact CD1-CG2 3.9Å
783G93.7Very high90.5Very high0 Ų017.9 Ų17.90%010%0.095CC..Hα-helixtrans-61.7-39.7174.400000112.3G779 K780 M781 V786 Y787 I907G779-G783 PolarHBondContact O-N 2.94Å; K780-G783 PolarHBondContact O-N 2.86Å; M781-G783 PolarHBondContact O-N 2.88Å; G783-V786 PolarHBondContact O-N 2.92Å; G783-Y787 VanDerWaalsContact O-CB 3.29Å; G783-Y787 WeakPolarHBondContact O-CB 3.44Å; G783-Y787 PolarHBondContact O-N 3.19Å; G783-I907 WeakPolarHBondContact O-CD1 3.34Å
784K92Very high90.1Very high1 Ų115.3 Ų15.30%0.0048%0.083CC..Hα-helixtrans-64.4-43.7175.2-179.160.6171.1-175.80112.1M706 K707 G708 F731 K780 M781 L782 V786 Y787 E788M706-K784 HydrophobicContact CE-CB 3.69Å; M706-K784 HydrophobicContact CE-CD 4.22Å; M706-K784 HydrophobicContact CE-CG 3.77Å; M706-K784 WeakPolarHBondContact O-CD 3.4Å; M706-K784 VanDerWaalsContact O-CE 3.27Å; M706-K784 WeakPolarHBondContact O-CE 3.43Å; M706-K784 PolarHBondContact O-NZ 3.3Å; K707-K784 PolarHBondContact O-NZ 3.43Å; G708-K784 PolarHBondContact O-NZ 3.04Å; F731-K784 HydrophobicContact CE1-CG 4.31Å; F731-K784 HydrophobicContact CZ-CD 4.46Å; F731-K784 HydrophobicContact CZ-CG 3.81Å; K780-K784 WeakPolarHBondContact O-CB 2.93Å; K780-K784 PolarHBondContact O-N 3.35Å; M781-K784 WeakPolarHBondContact O-CB 3.48Å; M781-K784 PolarHBondContact O-N 3.07Å; L782-K784 VanDerWaalsContact C-N 3.32Å; L782-K784 PolarHBondContact O-N 2.92Å; K784-V786 PolarHBondContact O-N 2.9Å; K784-Y787 PolarHBondContact O-N 2.99Å; K784-E788 HydrophobicContact CD-CG 4Å; K784-E788 WeakPolarHBondContact CE-OE1 3.43Å; K784-E788 IonicContact NZ-OE1 3.93Å; K784-E788 PolarHBondContact NZ-OE1 2.73Å; K784-E788 WeakPolarHBondContact O-CG 3.08Å; K784-E788 PolarHBondContact O-N 3.2Å
785A90.3Very high89.9Confident0 Ų016.1 Ų16.10%09%0.09CC..Hα-helixtrans-56.5-50.717500000111.2L735 I739 M781 L782 Y787 E788 G789 I790 V792L735-A785 HydrophobicContact CD2-CB 3.81Å; I739-A785 HydrophobicContact CD1-CB 4.29Å; M781-A785 PolarHBondContact O-N 3.26Å; L782-A785 PolarHBondContact O-N 3.26Å; A785-Y787 VanDerWaalsContact C-N 3.34Å; A785-Y787 PolarHBondContact O-N 3.36Å; A785-E788 PolarHBondContact O-N 3.47Å; A785-G789 PolarHBondContact O-N 3.08Å; A785-I790 CarbonylContact C-O 3.54Å; A785-I790 HydrophobicContact CB-CB 4.5Å; A785-I790 PolarHBondContact O-N 3.05Å; A785-V792 HydrophobicContact CB-CG1 4.1Å
786V92Very high89.7Confident2 Ų216.1 Ų16.11%0.0129%0.09CC..Hα-helixtrans-61.8-40.4178175.20000111.6F657 R658 L782 G783 K784 G789 F903 I907 L923 I924F657-V786 HydrophobicContact CE1-CG1 4.14Å; F657-V786 HydrophobicContact CZ-CG1 3.75Å; R658-V786 PolarHBondContact NH1-O 2.83Å; L782-V786 WeakPolarHBondContact O-CG2 3.26Å; L782-V786 PolarHBondContact O-N 3.33Å; L782-V786 VanDerWaalsContact O-N 3.11Å; G783-V786 PolarHBondContact O-N 2.92Å; K784-V786 PolarHBondContact O-N 2.9Å; V786-G789 PolarHBondContact O-N 3.29Å; V786-F903 HydrophobicContact CG2-CE2 4.26Å; V786-I907 HydrophobicContact CB-CD1 4.36Å; V786-I907 HydrophobicContact CB-CG1 4.47Å; V786-I907 HydrophobicContact CG1-CD1 4.12Å; V786-I907 HydrophobicContact CG1-CG1 4.38Å; V786-L923 HydrophobicContact CG1-CD2 4.1Å; V786-L923 HydrophobicContact CG1-CG 4.3Å; V786-I924 HydrophobicContact CG2-CG1 3.9Å
787Y91.8Very high89.5Confident2 Ų213.4 Ų13.41%0.0088%0.078CC..Hα-helixtrans-63.6-43178.5-169.5-106.2000112.5V661 E664 K665 K707 G783 K784 A785 G789 I906 I907 W911V661-Y787 HydrophobicContact CB-CE2 4.47Å; V661-Y787 HydrophobicContact CG1-CD2 3.82Å; V661-Y787 HydrophobicContact CG1-CE2 3.7Å; V661-Y787 HydrophobicContact CG1-CG 4.28Å; V661-Y787 WeakPolarHBondContact CG1-O 3.44Å; V661-Y787 HydrophobicContact CG2-CD2 4.18Å; V661-Y787 HydrophobicContact CG2-CE2 4.36Å; E664-Y787 VanDerWaalsContact OE2-CE2 3.27Å; E664-Y787 WeakPolarHBondContact OE2-CE2 3.48Å; E664-Y787 PolarHBondContact OE2-OH 3.4Å; K665-Y787 HydrophobicContact CD-CE1 4.18Å; K665-Y787 HydrophobicContact CG-CE1 3.9Å; K665-Y787 VanDerWaalsContact CG-OH 3.28Å; K665-Y787 WeakPolarHBondContact CG-OH 3.35Å; K707-Y787 HydrophobicContact CB-CE1 3.99Å; K707-Y787 HydrophobicContact CD-CE2 4.49Å; K707-Y787 HydrophobicContact CG-CE1 4.16Å; G783-Y787 VanDerWaalsContact O-CB 3.29Å; G783-Y787 WeakPolarHBondContact O-CB 3.44Å; G783-Y787 PolarHBondContact O-N 3.19Å; K784-Y787 PolarHBondContact O-N 2.99Å; A785-Y787 VanDerWaalsContact C-N 3.34Å; A785-Y787 PolarHBondContact O-N 3.36Å; Y787-G789 VanDerWaalsContact C-N 3.31Å; Y787-I906 HydrophobicContact CD2-CG2 4.19Å; Y787-I906 HydrophobicContact CG-CG2 3.93Å; Y787-I907 HydrophobicContact CD2-CD1 3.98Å; Y787-I907 HydrophobicContact CG-CD1 4.4Å; Y787-W911 HydrophobicContact CE2-CZ3 4.33Å
788E86.5Confident89.2Confident52 Ų5214.6 Ų14.624%0.2439%0.086CC..Hα-helixtrans-77-19.1177.4-62.8-52.315100113.3K665 K784 A785 I790K665-E788 IonicContact NZ-OE1 2.69Å; K665-E788 IonicContact NZ-OE2 2.84Å; K665-E788 PolarHBondContact NZ-OE2 3.47Å; K784-E788 HydrophobicContact CD-CG 4Å; K784-E788 WeakPolarHBondContact CE-OE1 3.43Å; K784-E788 IonicContact NZ-OE1 3.93Å; K784-E788 PolarHBondContact NZ-OE1 2.73Å; K784-E788 WeakPolarHBondContact O-CG 3.08Å; K784-E788 PolarHBondContact O-N 3.2Å; A785-E788 PolarHBondContact O-N 3.47Å; E788-I790 HydrophobicContact CB-CD1 3.91Å; E788-I790 HydrophobicContact CB-CG1 3.98Å
789G85.3Confident89Confident25 Ų2514.5 Ų14.526%0.2589%0.086SC..THydrogen-bonded Turntrans80.525.6-173.900000113.7R658 A785 V786 Y787R658-G789 VanDerWaalsContact CZ-CA 3.43Å; R658-G789 VanDerWaalsContact NH2-CA 3.34Å; A785-G789 PolarHBondContact O-N 3.08Å; V786-G789 PolarHBondContact O-N 3.29Å; Y787-G789 VanDerWaalsContact C-N 3.31Å
790I84.1Confident88.8Confident21 Ų2114.5 Ų14.511%0.1089%0.086CC..  trans-84.2120.6169.6-59.4168.5000106.7F731 K732 L735 A785 E788F731-I790 HydrophobicContact CE1-CD1 4.38Å; K732-I790 HydrophobicContact CG-CD1 4.4Å; K732-I790 HydrophobicContact CG-CG2 4.15Å; L735-I790 HydrophobicContact CD2-CD1 3.89Å; A785-I790 CarbonylContact C-O 3.54Å; A785-I790 HydrophobicContact CB-CB 4.5Å; A785-I790 PolarHBondContact O-N 3.05Å; E788-I790 HydrophobicContact CB-CD1 3.91Å; E788-I790 HydrophobicContact CB-CG1 3.98Å
791V83.1Confident88.7Confident19 Ų1913.3 Ų13.312%0.1158%0.081CC..  trans-84.3145.5175.3-64.60000109.5I924 C979V791-I924 CarbonylContact C-O 3.44Å; V791-I924 VanDerWaalsContact CA-O 3.29Å; V791-I924 WeakPolarHBondContact CA-O 3.25Å; V791-C979 HydrophobicContact CG2-CB 3.94Å; V791-C979 PolarHBondContact O-SG 3.24Å
792V84.3Confident88.5Confident6 Ų613.7 Ų13.74%0.0368%0.083CC..  trans-131.3132.6-177.8-62.20000110.8I739 L782 A785 V794 I924 S925I739-V792 HydrophobicContact CD1-CG1 3.78Å; I739-V792 HydrophobicContact CG2-CB 4.18Å; I739-V792 HydrophobicContact CG2-CG1 4.4Å; I739-V792 HydrophobicContact CG2-CG2 4.43Å; L782-V792 HydrophobicContact CD1-CG2 4.02Å; A785-V792 HydrophobicContact CB-CG1 4.1Å; V792-V794 VanDerWaalsContact C-N 3.27Å; V792-V794 HydrophobicContact CB-CG2 4.32Å; V792-V794 HydrophobicContact CG2-CG2 4.16Å; V792-V794 PolarHBondContact O-N 3.48Å; V792-I924 HydrophobicContact CG2-CG2 3.52Å; V792-I924 PolarHBondContact N-O 3.31Å; V792-S925 WeakPolarHBondContact O-CA 3.49Å; V792-S925 VanDerWaalsContact O-CB 3.25Å; V792-S925 WeakPolarHBondContact O-CB 3.38Å; V792-S925 PolarHBondContact O-OG 3.43Å
793D82.4Confident88.2Confident64 Ų6413.7 Ų13.734%0.3428%0.083SC..  trans-80.769.5-175.5-161.57.6000111.2K974 S980D793-K974 IonicContact OD2-NZ 3.2Å; D793-S980 PolarHBondContact OD2-OG 3.43Å
794V84.9Confident88Confident7 Ų713.7 Ų13.74%0.0428%0.083CC..  trans-127.2107.9-177.7-173.80000110.3I739 F743 L759 V792 F796 Q921 S925I739-V794 HydrophobicContact CG2-CG2 3.52Å; F743-V794 HydrophobicContact CB-CG1 4.31Å; F743-V794 HydrophobicContact CD1-CG1 4.08Å; F743-V794 HydrophobicContact CD2-CB 4.46Å; F743-V794 HydrophobicContact CD2-CG1 3.77Å; F743-V794 HydrophobicContact CD2-CG2 3.84Å; F743-V794 HydrophobicContact CE1-CG1 4.4Å; F743-V794 HydrophobicContact CE2-CG1 4.15Å; F743-V794 HydrophobicContact CE2-CG2 4.29Å; F743-V794 HydrophobicContact CG-CG1 3.79Å; F743-V794 HydrophobicContact CZ-CG1 4.46Å; L759-V794 HydrophobicContact CD1-CG1 3.62Å; V792-V794 VanDerWaalsContact C-N 3.27Å; V792-V794 HydrophobicContact CB-CG2 4.32Å; V792-V794 HydrophobicContact CG2-CG2 4.16Å; V792-V794 PolarHBondContact O-N 3.48Å; V794-F796 HydrophobicContact CB-CE2 4.27Å; V794-F796 HydrophobicContact CB-CZ 4.3Å; V794-F796 HydrophobicContact CG1-CD1 4.41Å; V794-F796 HydrophobicContact CG1-CD2 4.49Å; V794-F796 HydrophobicContact CG1-CE1 3.82Å; V794-F796 HydrophobicContact CG1-CE2 3.93Å; V794-F796 HydrophobicContact CG1-CZ 3.56Å; V794-F796 PolarHBondContact O-N 3.39Å; V794-Q921 PolarHBondContact O-NE2 3.07Å; V794-S925 PolarHBondContact O-OG 3.43Å
795P87.9Confident87.7Confident47 Ų4713.8 Ų13.831%0.3058%0.084SC..  trans-83.6109.6-179.931.5-32.2000111.1L759L759-P795 PolarHBondContact N-O 3.48Å
796F91.6Very high87.2Confident1 Ų114.9 Ų14.90%0.00410%0.095CC..BIsolated β-bridgetrans-89.2152.2175.6-67.2-66.2000112.5F743 R758 L759 L782 V794 F800 L801 I924F743-F796 HydrophobicContact CD1-CE1 4.09Å; F743-F796 HydrophobicContact CD1-CZ 4.47Å; F743-F796 AromaticContact CE1-CE1 3.43Å; F743-F796 HydrophobicContact CE1-CE1 3.43Å; F743-F796 VanDerWaalsContact CE1-CE1 3.43Å; F743-F796 AromaticContact CE1-CZ 3.67Å; F743-F796 HydrophobicContact CE1-CZ 3.67Å; F743-F796 HydrophobicContact CE2-CZ 4.19Å; F743-F796 AromaticContact CZ-CE1 3.82Å; F743-F796 HydrophobicContact CZ-CE1 3.82Å; F743-F796 AromaticContact CZ-CZ 3.53Å; F743-F796 HydrophobicContact CZ-CZ 3.53Å; R758-F796 PolarHBondContact NH1-O 2.93Å; L759-F796 HydrophobicContact CB-CD1 4.3Å; L782-F796 HydrophobicContact CD1-CE2 4.37Å; L782-F796 HydrophobicContact CD2-CE2 3.98Å; L782-F796 HydrophobicContact CD2-CZ 3.88Å; V794-F796 HydrophobicContact CB-CE2 4.27Å; V794-F796 HydrophobicContact CB-CZ 4.3Å; V794-F796 HydrophobicContact CG1-CD1 4.41Å; V794-F796 HydrophobicContact CG1-CD2 4.49Å; V794-F796 HydrophobicContact CG1-CE1 3.82Å; V794-F796 HydrophobicContact CG1-CE2 3.93Å; V794-F796 HydrophobicContact CG1-CZ 3.56Å; V794-F796 PolarHBondContact O-N 3.39Å; F796-F800 HydrophobicContact CB-CD1 4.22Å; F796-F800 AromaticContact CD1-CD1 3.67Å; F796-F800 HydrophobicContact CD1-CD1 3.67Å; F796-F800 AromaticContact CD1-CE1 3.64Å; F796-F800 HydrophobicContact CD1-CE1 3.64Å; F796-F800 HydrophobicContact CE1-CD1 4.36Å; F796-F800 AromaticContact CE1-CE1 3.86Å; F796-F800 HydrophobicContact CE1-CE1 3.86Å; F796-F800 HydrophobicContact CG-CD1 4.15Å; F796-F800 HydrophobicContact CG-CE1 4.33Å; F796-L801 HydrophobicContact CB-CD1 4.05Å; F796-L801 HydrophobicContact CB-CD2 3.76Å; F796-L801 HydrophobicContact CB-CG 3.72Å; F796-L801 HydrophobicContact CD2-CD2 3.94Å; F796-L801 HydrophobicContact CG-CD2 4.11Å; F796-I924 HydrophobicContact CD2-CD1 4.23Å; F796-I924 HydrophobicContact CE2-CD1 4.14Å; F796-I924 HydrophobicContact CE2-CG2 4.21Å
797A90.3Very high86.3Confident0 Ų017 Ų170%011%0.105CC..  trans-68.7141.3170.200000110.6T753 R758 L759 F799 F800 L801T753-A797 HydrophobicContact CG2-CB 3.85Å; R758-A797 HydrophobicContact CB-CB 4.11Å; L759-A797 PolarHBondContact O-N 3.14Å; A797-F799 HydrophobicContact CB-CD1 3.65Å; A797-F799 HydrophobicContact CB-CE1 3.39Å; A797-F799 HydrophobicContact CB-CZ 4.26Å; A797-F799 PolarHBondContact O-N 3Å; A797-F800 HydrophobicContact CB-CB 4.42Å; A797-F800 WeakPolarHBondContact O-CB 3.21Å; A797-F800 PolarHBondContact O-N 3.07Å; A797-F800 VanDerWaalsContact O-N 3.11Å; A797-L801 PolarHBondContact O-N 3.17Å; A797-L801 VanDerWaalsContact O-N 3.16Å
798S87.2Confident84.8Confident28 Ų2818.6 Ų18.620%0.19611%0.112CC..Hα-helixtrans-55-49.8-176.9179.90000111.8F800 L801 S802 E818S798-F800 PolarHBondContact O-N 3.42Å; S798-L801 WeakPolarHBondContact O-CB 3.19Å; S798-L801 PolarHBondContact O-N 2.98Å; S798-L801 VanDerWaalsContact O-N 3.09Å; S798-S802 PolarHBondContact O-N 2.84Å; S798-S802 PolarHBondContact O-OG 2.9Å; S798-E818 PolarHBondContact OG-OE2 3.47Å; S798-E818 VanDerWaalsContact OG-OE2 3.14Å
799F87.6Confident83.5Confident0 Ų023.2 Ų23.20%013%0.134CC..Hα-helixtrans-59.8-31.7-179.378.1-90.5000113.8T753 Y760 A797 Q803 E818 L822 M888 I892T753-F799 HydrophobicContact CG2-CE1 4.45Å; Y760-F799 HydrophobicContact CD1-CE1 4.46Å; Y760-F799 HydrophobicContact CD1-CZ 4.26Å; Y760-F799 AromaticContact CD2-CZ 3.92Å; Y760-F799 HydrophobicContact CD2-CZ 3.92Å; Y760-F799 HydrophobicContact CG-CE1 4.27Å; Y760-F799 AromaticContact CG-CZ 3.65Å; Y760-F799 HydrophobicContact CG-CZ 3.65Å; A797-F799 HydrophobicContact CB-CD1 3.65Å; A797-F799 HydrophobicContact CB-CE1 3.39Å; A797-F799 HydrophobicContact CB-CZ 4.26Å; A797-F799 PolarHBondContact O-N 3Å; F799-Q803 PolarHBondContact O-N 3.31Å; F799-Q803 VanDerWaalsContact O-N 3.14Å; F799-E818 HydrophobicContact CB-CB 4.06Å; F799-E818 PolarHBondContact N-OE2 3.09Å; F799-L822 HydrophobicContact CD1-CB 4.07Å; F799-L822 HydrophobicContact CE1-CB 3.82Å; F799-L822 HydrophobicContact CE1-CD1 3.73Å; F799-L822 HydrophobicContact CE1-CG 4.3Å; F799-L822 HydrophobicContact CZ-CB 4.45Å; F799-L822 HydrophobicContact CZ-CD1 3.77Å; F799-M888 HydrophobicContact CB-CE 3.17Å; F799-M888 HydrophobicContact CD1-CE 4.37Å; F799-M888 HydrophobicContact CD2-CB 4.41Å; F799-M888 HydrophobicContact CD2-CE 3.95Å; F799-M888 HydrophobicContact CG-CE 3.6Å; F799-I892 HydrophobicContact CE2-CD1 4.03Å
800F90.9Very high82.5Confident0 Ų023.6 Ų23.60%013%0.132CC..Hα-helixtrans-74-39.4177.9175.5-117.3000111.4P761 F796 A797 S798 S802 Q803 L804 T896 L899P761-F800 VanDerWaalsContact CD-CD2 3.45Å; P761-F800 HydrophobicContact CG-CD2 3.88Å; P761-F800 HydrophobicContact CG-CE2 3.43Å; P761-F800 VanDerWaalsContact CG-CE2 3.43Å; P761-F800 HydrophobicContact CG-CZ 3.94Å; F796-F800 HydrophobicContact CB-CD1 4.22Å; F796-F800 AromaticContact CD1-CD1 3.67Å; F796-F800 HydrophobicContact CD1-CD1 3.67Å; F796-F800 AromaticContact CD1-CE1 3.64Å; F796-F800 HydrophobicContact CD1-CE1 3.64Å; F796-F800 HydrophobicContact CE1-CD1 4.36Å; F796-F800 AromaticContact CE1-CE1 3.86Å; F796-F800 HydrophobicContact CE1-CE1 3.86Å; F796-F800 HydrophobicContact CG-CD1 4.15Å; F796-F800 HydrophobicContact CG-CE1 4.33Å; A797-F800 HydrophobicContact CB-CB 4.42Å; A797-F800 WeakPolarHBondContact O-CB 3.21Å; A797-F800 PolarHBondContact O-N 3.07Å; A797-F800 VanDerWaalsContact O-N 3.11Å; S798-F800 PolarHBondContact O-N 3.42Å; F800-S802 VanDerWaalsContact C-N 3.34Å; F800-S802 PolarHBondContact O-N 3.01Å; F800-Q803 WeakPolarHBondContact O-CA 3.42Å; F800-Q803 WeakPolarHBondContact O-CB 3.22Å; F800-Q803 PolarHBondContact O-N 3.2Å; F800-Q803 VanDerWaalsContact O-N 3.12Å; F800-L804 PolarHBondContact O-N 2.83Å; F800-T896 HydrophobicContact CD2-CG2 4.5Å; F800-T896 HydrophobicContact CE2-CG2 4.13Å; F800-L899 HydrophobicContact CZ-CD1 3.97Å; F800-L899 HydrophobicContact CZ-CD2 3.89Å; F800-L899 HydrophobicContact CZ-CG 4.5Å
801L90.4Very high81.2Confident3 Ų327.8 Ų27.82%0.01616%0.159CC..Hα-helixtrans-63.4-40172.9-67.7172.1000112F796 A797 S798 Q803 L804 L805 A917 L920 Q921 I924F796-L801 HydrophobicContact CB-CD1 4.05Å; F796-L801 HydrophobicContact CB-CD2 3.76Å; F796-L801 HydrophobicContact CB-CG 3.72Å; F796-L801 HydrophobicContact CD2-CD2 3.94Å; F796-L801 HydrophobicContact CG-CD2 4.11Å; A797-L801 PolarHBondContact O-N 3.17Å; A797-L801 VanDerWaalsContact O-N 3.16Å; S798-L801 WeakPolarHBondContact O-CB 3.19Å; S798-L801 PolarHBondContact O-N 2.98Å; S798-L801 VanDerWaalsContact O-N 3.09Å; L801-Q803 PolarHBondContact O-N 3.3Å; L801-L804 WeakPolarHBondContact O-CB 3.46Å; L801-L804 PolarHBondContact O-N 3.39Å; L801-L804 VanDerWaalsContact O-N 3.15Å; L801-L805 WeakPolarHBondContact O-CG 3.26Å; L801-L805 PolarHBondContact O-N 2.69Å; L801-A917 HydrophobicContact CB-CB 3.88Å; L801-A917 WeakPolarHBondContact CD1-O 3.27Å; L801-L920 HydrophobicContact CD2-CD2 4.18Å; L801-L920 HydrophobicContact CD2-CG 4.39Å; L801-Q921 HydrophobicContact CD1-CB 3.73Å; L801-Q921 HydrophobicContact CD1-CG 4.46Å; L801-I924 HydrophobicContact CD2-CD1 4.24Å
802S88Confident80.2Confident9 Ų929 Ų296%0.06316%0.162CC..Hα-helixtrans-60-36.2172.3-63.80000111.7S798 F800 G806 H807S798-S802 PolarHBondContact O-N 2.84Å; S798-S802 PolarHBondContact O-OG 2.9Å; F800-S802 VanDerWaalsContact C-N 3.34Å; F800-S802 PolarHBondContact O-N 3.01Å; S802-G806 PolarHBondContact O-N 3.32Å; S802-H807 WeakPolarHBondContact O-CB 3.47Å; S802-H807 PolarHBondContact O-N 2.74Å
803Q88.6Confident79.5Confident0 Ų030.4 Ų30.40%017%0.167CC..Hα-helixtrans-66.9-43.7172.3-75.8-179.959.700112.6F799 F800 L801 L805 G806 H808 M888 H889 T896 I900F799-Q803 PolarHBondContact O-N 3.31Å; F799-Q803 VanDerWaalsContact O-N 3.14Å; F800-Q803 WeakPolarHBondContact O-CA 3.42Å; F800-Q803 WeakPolarHBondContact O-CB 3.22Å; F800-Q803 PolarHBondContact O-N 3.2Å; F800-Q803 VanDerWaalsContact O-N 3.12Å; L801-Q803 PolarHBondContact O-N 3.3Å; Q803-L805 VanDerWaalsContact C-N 3.34Å; Q803-L805 PolarHBondContact O-N 3.37Å; Q803-G806 WeakPolarHBondContact O-CA 3.29Å; Q803-G806 PolarHBondContact O-N 3.39Å; Q803-H808 WeakPolarHBondContact CA-ND1 3.33Å; Q803-H808 HydrophobicContact CG-CB 3.75Å; Q803-H808 PolarHBondContact O-CE1 3.27Å; Q803-H808 PolarHBondContact O-ND1 3.1Å; Q803-M888 PolarHBondContact NE2-O 3.24Å; Q803-H889 PolarHBondContact OE1-ND1 3.18Å; Q803-T896 HydrophobicContact CB-CG2 3.99Å; Q803-I900 WeakPolarHBondContact O-CD1 3.45Å
804L88.3Confident79.2Confident0 Ų028.1 Ų28.10%016%0.156CC..Hα-helixtrans-59.7-41.7178.5-176.158.4000112.5F800 L801 G806 L899 I900 F903 L920F800-L804 PolarHBondContact O-N 2.83Å; L801-L804 WeakPolarHBondContact O-CB 3.46Å; L801-L804 PolarHBondContact O-N 3.39Å; L801-L804 VanDerWaalsContact O-N 3.15Å; L804-G806 PolarHBondContact O-N 2.63Å; L804-L899 HydrophobicContact CD1-CD2 4.02Å; L804-I900 HydrophobicContact CD1-CG1 3.86Å; L804-F903 HydrophobicContact CD1-CB 4.08Å; L804-F903 HydrophobicContact CD1-CD1 3.86Å; L804-F903 HydrophobicContact CD1-CE1 4.45Å; L804-F903 HydrophobicContact CD1-CG 3.91Å; L804-F903 HydrophobicContact CG-CD1 4.45Å; L804-L920 HydrophobicContact CD2-CD2 3.98Å; L804-L920 HydrophobicContact CG-CD2 4.3Å
805L86.6Confident78.9Confident4 Ų428.4 Ų28.42%0.02116%0.159CC..Hα-helixtrans-66.5-16.9173.9-71.5168.1000113.3L801 Q803 H807 I912 A917 L920L801-L805 WeakPolarHBondContact O-CG 3.26Å; L801-L805 PolarHBondContact O-N 2.69Å; Q803-L805 VanDerWaalsContact C-N 3.34Å; Q803-L805 PolarHBondContact O-N 3.37Å; L805-H807 WeakPolarHBondContact CB-CD2 3.48Å; L805-I912 HydrophobicContact CD2-CB 3.99Å; L805-I912 HydrophobicContact CD2-CD1 4.37Å; L805-I912 HydrophobicContact CD2-CG1 4.26Å; L805-I912 VanDerWaalsContact CD2-O 3.26Å; L805-I912 WeakPolarHBondContact CD2-O 3.27Å; L805-A917 HydrophobicContact CD1-CB 4.35Å; L805-L920 HydrophobicContact CD1-CB 4.5Å; L805-L920 HydrophobicContact CD1-CD2 4.3Å; L805-L920 HydrophobicContact CD2-CB 4.49Å; L805-L920 HydrophobicContact CD2-CD2 3.76Å; L805-L920 HydrophobicContact CG-CD2 3.72Å
806G79.1Confident78.6Confident22 Ų2227 Ų2723%0.22715%0.15CC..THydrogen-bonded Turntrans82.913.2-175.100000114S802 Q803 L804 H808S802-G806 PolarHBondContact O-N 3.32Å; Q803-G806 WeakPolarHBondContact O-CA 3.29Å; Q803-G806 PolarHBondContact O-N 3.39Å; L804-G806 PolarHBondContact O-N 2.63Å; G806-H808 VanDerWaalsContact C-N 3.26Å; G806-H808 PolarHBondContact O-N 2.94Å
807H74.1Confident78.1Confident46 Ų4627.8 Ų27.821%0.21315%0.154CC..G310 helixtrans-72.6-15.9178.1-66.4-59.8000113.2S802 L805 H809 S810 Y813S802-H807 WeakPolarHBondContact O-CB 3.47Å; S802-H807 PolarHBondContact O-N 2.74Å; L805-H807 WeakPolarHBondContact CB-CD2 3.48Å; H807-H809 PolarHBondContact O-N 2.96Å; H807-H809 VanDerWaalsContact O-N 3.16Å; H807-S810 WeakPolarHBondContact O-CA 3.46Å; H807-S810 WeakPolarHBondContact O-CB 3.45Å; H807-S810 PolarHBondContact O-N 3.31Å; H807-Y813 WeakPolarHBondContact O-CB 3.42Å
808H60.5Low77.7Confident36 Ų3628.7 Ų28.717%0.16716%0.158CC..G310 helixtrans-62.5-21.1176.664-80.5000114.7Q803 G806 Y813 H889Q803-H808 WeakPolarHBondContact CA-ND1 3.33Å; Q803-H808 HydrophobicContact CG-CB 3.75Å; Q803-H808 PolarHBondContact O-CE1 3.27Å; Q803-H808 PolarHBondContact O-ND1 3.1Å; G806-H808 VanDerWaalsContact C-N 3.26Å; G806-H808 PolarHBondContact O-N 2.94Å; H808-Y813 HydrophobicContact CB-CD1 4.44Å; H808-Y813 HydrophobicContact CB-CE1 4.41Å; H808-H889 AromaticContact CD2-CE1 3.75Å
809H57.8Low77.7Confident150 Ų15027.4 Ų27.469%0.69415%0.149SC*.G310 helixtrans-940.8170.4-61.7144000112.8H807H807-H809 PolarHBondContact O-N 2.96Å; H807-H809 VanDerWaalsContact O-N 3.16Å
810S64Low77.5Confident32 Ų3229.5 Ų29.522%0.22416%0.162CC..SBendtrans-68.8140.9175.4-172.50000109.4H807 F812 Y813H807-S810 WeakPolarHBondContact O-CA 3.46Å; H807-S810 WeakPolarHBondContact O-CB 3.45Å; H807-S810 PolarHBondContact O-N 3.31Å; S810-F812 PolarHBondContact O-N 3.2Å; S810-F812 VanDerWaalsContact O-N 3.1Å; S810-F812 WeakPolarHBondContact OG-CD2 3.4Å; S810-F812 PolarHBondContact OG-N 3.46Å; S810-Y813 PolarHBondContact O-N 2.86Å
811V56.7Low77.2Confident110 Ų11031.1 Ų31.167%0.66717%0.173SC*.THydrogen-bonded Turntrans-61.2-16.4170.5-178.70000111.4
812F62.1Low77.1Confident43 Ų4331.3 Ų31.319%0.18917%0.174CC..THydrogen-bonded Turntrans-91.7-9.5-177.3-45.1-48.5000113.6G596 M599 V600 E603 S810G596-F812 VanDerWaalsContact CA-CZ 3.43Å; M599-F812 HydrophobicContact CB-CD2 3.8Å; M599-F812 HydrophobicContact CB-CE2 3.92Å; M599-F812 HydrophobicContact CB-CG 4.25Å; M599-F812 HydrophobicContact CB-CZ 4.45Å; M599-F812 HydrophobicContact CG-CE2 4.27Å; V600-F812 HydrophobicContact CG2-CB 4.01Å; V600-F812 HydrophobicContact CG2-CD1 3.61Å; V600-F812 HydrophobicContact CG2-CG 4.12Å; E603-F812 VanDerWaalsContact OE2-CB 3.26Å; E603-F812 WeakPolarHBondContact OE2-CB 3.43Å; S810-F812 PolarHBondContact O-N 3.2Å; S810-F812 VanDerWaalsContact O-N 3.1Å; S810-F812 WeakPolarHBondContact OG-CD2 3.4Å; S810-F812 PolarHBondContact OG-N 3.46Å
813Y71.4Confident77Confident36 Ų3632.4 Ų32.414%0.14118%0.18CC..  trans-85.2118.8-176.8-175.8-97.7000112.3H807 H808 S810 E818 M888H807-Y813 WeakPolarHBondContact O-CB 3.42Å; H808-Y813 HydrophobicContact CB-CD1 4.44Å; H808-Y813 HydrophobicContact CB-CE1 4.41Å; S810-Y813 PolarHBondContact O-N 2.86Å; Y813-E818 HydrophobicContact CE2-CG 3.8Å; Y813-M888 WeakPolarHBondContact OH-CE 3.45Å
814S74.8Confident76.8Confident16 Ų1635 Ų3511%0.11220%0.198CC..  trans-104.4118.6170.4170.90000109.9V816 D817 E818S814-V816 PolarHBondContact O-N 2.92Å; S814-V816 PolarHBondContact OG-N 2.95Å; S814-D817 VanDerWaalsContact CB-CG 3.4Å; S814-D817 WeakPolarHBondContact CB-OD1 3.32Å; S814-D817 PolarHBondContact O-N 3.35Å; S814-D817 VanDerWaalsContact OG-CG 3.31Å; S814-D817 PolarHBondContact OG-N 2.67Å; S814-D817 PolarHBondContact OG-OD1 3.47Å; S814-E818 PolarHBondContact O-N 3.33Å
815S80Confident76.7Confident14 Ų1441.5 Ų41.510%0.09823%0.228CC..Hα-helixtrans-64.5-27.9172.3-54.50000111.6L819S815-L819 PolarHBondContact O-N 3.39Å
816V81.6Confident76.7Confident18 Ų1843.1 Ų43.111%0.10924%0.235CC..Hα-helixtrans-70.1-40.5179.3179.80000110.6S814 E818 L819 Y827 I880 H881 A884S814-V816 PolarHBondContact O-N 2.92Å; S814-V816 PolarHBondContact OG-N 2.95Å; V816-E818 VanDerWaalsContact C-N 3.32Å; V816-E818 PolarHBondContact O-N 3.08Å; V816-L819 WeakPolarHBondContact O-CB 3.41Å; V816-L819 PolarHBondContact O-N 3.32Å; V816-Y827 HydrophobicContact CG1-CE2 4.24Å; V816-I880 HydrophobicContact CG1-CG2 4.46Å; V816-I880 HydrophobicContact CG2-CG2 4.04Å; V816-H881 WeakPolarHBondContact CG2-ND1 3.5Å; V816-A884 HydrophobicContact CG2-CB 3.96Å
817D79.6Confident77.1Confident17 Ų1743 Ų439%0.09123%0.228CC..Hα-helixtrans-65.9-32.2-179.7-71.328.9000113.1R604 R607 S814 P820R604-D817 IonicContact CZ-OD2 2.82Å; R604-D817 IonicContact NE-OD2 2.72Å; R604-D817 PolarHBondContact NE-OD2 3.46Å; R604-D817 IonicContact NH2-OD1 3.78Å; R604-D817 IonicContact NH2-OD2 3.71Å; R604-D817 PolarHBondContact NH2-OD2 3.11Å; R607-D817 PolarHBondContact NH1-O 2.98Å; R607-D817 IonicContact NH2-OD2 3.44Å; R607-D817 PolarHBondContact NH2-OD2 3.46Å; S814-D817 VanDerWaalsContact CB-CG 3.4Å; S814-D817 WeakPolarHBondContact CB-OD1 3.32Å; S814-D817 PolarHBondContact O-N 3.35Å; S814-D817 VanDerWaalsContact OG-CG 3.31Å; S814-D817 PolarHBondContact OG-N 2.67Å; S814-D817 PolarHBondContact OG-OD1 3.47Å; D817-P820 WeakPolarHBondContact O-CD 3.41Å
818E82.3Confident77.6Confident18 Ų1847.3 Ų47.38%0.08425%0.246CC..Hα-helixtrans-91.6-12.8-178.9-72.5-81.817300112.4R607 S798 F799 Y813 S814 V816 P820 S821 M888R607-E818 WeakPolarHBondContact CD-OE1 3.49Å; S798-E818 PolarHBondContact OG-OE2 3.47Å; S798-E818 VanDerWaalsContact OG-OE2 3.14Å; F799-E818 HydrophobicContact CB-CB 4.06Å; F799-E818 PolarHBondContact N-OE2 3.09Å; Y813-E818 HydrophobicContact CE2-CG 3.8Å; S814-E818 PolarHBondContact O-N 3.33Å; V816-E818 VanDerWaalsContact C-N 3.32Å; V816-E818 PolarHBondContact O-N 3.08Å; E818-P820 VanDerWaalsContact C-N 3.35Å; E818-S821 VanDerWaalsContact O-CB 3.31Å; E818-S821 WeakPolarHBondContact O-CB 3.22Å; E818-S821 PolarHBondContact O-N 3.2Å; E818-S821 PolarHBondContact O-OG 3.29Å; E818-M888 HydrophobicContact CB-CE 3.27Å; E818-M888 HydrophobicContact CB-SD 4.32Å
819L87Confident78.9Confident1 Ų149.7 Ų49.71%0.00526%0.26CS..Hα-helixtrans-56.2-38.2-178.9-170.563000114S815 V816 S821 L822 D823 F826 Y827 L830 A884 M888S815-L819 PolarHBondContact O-N 3.39Å; V816-L819 WeakPolarHBondContact O-CB 3.41Å; V816-L819 PolarHBondContact O-N 3.32Å; L819-S821 PolarHBondContact O-N 2.9Å; L819-S821 VanDerWaalsContact O-N 3.13Å; L819-L822 HydrophobicContact CD1-CD2 4.28Å; L819-L822 PolarHBondContact O-N 3.1Å; L819-D823 PolarHBondContact O-N 3.21Å; L819-F826 HydrophobicContact CD1-CD1 4.04Å; L819-F826 HydrophobicContact CD1-CE1 4.5Å; L819-F826 HydrophobicContact CD2-CD1 3.9Å; L819-F826 HydrophobicContact CD2-CE1 4.29Å; L819-F826 HydrophobicContact CG-CD1 4.31Å; L819-Y827 HydrophobicContact CB-CD2 4.23Å; L819-Y827 HydrophobicContact CD2-CD2 4.31Å; L819-L830 HydrophobicContact CD2-CD1 3.67Å; L819-A884 HydrophobicContact CD2-CB 4.23Å; L819-M888 HydrophobicContact CB-SD 4.02Å; L819-M888 HydrophobicContact CD1-CG 4.05Å; L819-M888 HydrophobicContact CD1-SD 3.93Å
820P84.6Confident80.4Confident44 Ų4442.9 Ų42.929%0.28623%0.229SC..Hα-helixtrans-56.6-27.8173.8-24.833.5000113.9D817 E818 L822 Y827D817-P820 WeakPolarHBondContact O-CD 3.41Å; E818-P820 VanDerWaalsContact C-N 3.35Å; P820-L822 VanDerWaalsContact C-N 3.33Å; P820-Y827 HydrophobicContact CG-CD1 3.91Å; P820-Y827 HydrophobicContact CG-CD2 3.74Å; P820-Y827 HydrophobicContact CG-CE1 4.16Å; P820-Y827 HydrophobicContact CG-CE2 3.99Å; P820-Y827 HydrophobicContact CG-CG 3.68Å
821S83.9Confident81.3Confident34 Ų3442.1 Ų42.124%0.23822%0.223CC..Hα-helixtrans-75.7-20.4177.879.30000113.5T753 E818 L819T753-S821 WeakPolarHBondContact CG2-O 3.21Å; E818-S821 VanDerWaalsContact O-CB 3.31Å; E818-S821 WeakPolarHBondContact O-CB 3.22Å; E818-S821 PolarHBondContact O-N 3.2Å; E818-S821 PolarHBondContact O-OG 3.29Å; L819-S821 PolarHBondContact O-N 2.9Å; L819-S821 VanDerWaalsContact O-N 3.13Å
822L87.8Confident82.7Confident7 Ų740.2 Ų40.24%0.03721%0.214CC..Hα-helixtrans-89.1-54.9172.7172.563.1000110.5Y760 F799 L819 P820 R887 M888Y760-L822 HydrophobicContact CD1-CD1 4.26Å; Y760-L822 HydrophobicContact CD2-CD1 4.42Å; Y760-L822 HydrophobicContact CE1-CD1 3.82Å; Y760-L822 HydrophobicContact CE2-CD1 4.01Å; F799-L822 HydrophobicContact CD1-CB 4.07Å; F799-L822 HydrophobicContact CE1-CB 3.82Å; F799-L822 HydrophobicContact CE1-CD1 3.73Å; F799-L822 HydrophobicContact CE1-CG 4.3Å; F799-L822 HydrophobicContact CZ-CB 4.45Å; F799-L822 HydrophobicContact CZ-CD1 3.77Å; L819-L822 HydrophobicContact CD1-CD2 4.28Å; L819-L822 PolarHBondContact O-N 3.1Å; P820-L822 VanDerWaalsContact C-N 3.33Å; L822-R887 HydrophobicContact CD2-CB 4.18Å; L822-M888 HydrophobicContact CD2-CG 3.86Å
823D86.9Confident83.9Confident32 Ų3239 Ų3917%0.17121%0.21CC..BIsolated β-bridgetrans-154.8103.6-174-170.9-26.7000110.8L819 E825 F826 Y827L819-D823 PolarHBondContact O-N 3.21Å; D823-E825 VanDerWaalsContact C-N 3.33Å; D823-E825 PolarHBondContact O-N 3.38Å; D823-E825 PolarHBondContact OD1-N 2.81Å; D823-F826 HydrophobicContact CB-CB 3.83Å; D823-F826 VanDerWaalsContact CG-CB 3.45Å; D823-F826 PolarHBondContact OD1-N 3.19Å; D823-Y827 PolarHBondContact O-N 3.47Å; D823-Y827 VanDerWaalsContact O-N 3.11Å
824S84.3Confident84.5Confident56 Ų5639.4 Ų39.439%0.39221%0.212SC..Hα-helixtrans-69.7-26.7-178.471.80000113.9K828S824-K828 WeakPolarHBondContact O-CG 3.32Å; S824-K828 PolarHBondContact O-N 2.97Å
825E86.4Confident84.8Confident135 Ų13543.8 Ų43.863%0.63123%0.226SC*.Hα-helixtrans-76.9-44.5178.6-174.2176.8179.800110D823 Y827 K828 N829D823-E825 VanDerWaalsContact C-N 3.33Å; D823-E825 PolarHBondContact O-N 3.38Å; D823-E825 PolarHBondContact OD1-N 2.81Å; E825-Y827 VanDerWaalsContact C-N 3.3Å; E825-Y827 PolarHBondContact O-N 3.3Å; E825-K828 WeakPolarHBondContact O-CB 3.43Å; E825-K828 PolarHBondContact O-N 2.9Å; E825-K828 VanDerWaalsContact O-N 3.15Å; E825-N829 PolarHBondContact O-N 3.24Å
826F86.8Confident85.1Confident38 Ų3847.4 Ų47.417%0.16724%0.238CC..Hα-helixtrans-61-39.4175.1-170.3-105.9000112.4L819 D823 N829 L830 M883 R887L819-F826 HydrophobicContact CD1-CD1 4.04Å; L819-F826 HydrophobicContact CD1-CE1 4.5Å; L819-F826 HydrophobicContact CD2-CD1 3.9Å; L819-F826 HydrophobicContact CD2-CE1 4.29Å; L819-F826 HydrophobicContact CG-CD1 4.31Å; D823-F826 HydrophobicContact CB-CB 3.83Å; D823-F826 VanDerWaalsContact CG-CB 3.45Å; D823-F826 PolarHBondContact OD1-N 3.19Å; F826-N829 PolarHBondContact O-N 2.84Å; F826-L830 HydrophobicContact CD1-CD1 4.23Å; F826-L830 HydrophobicContact CD1-CG 4.46Å; F826-L830 HydrophobicContact CE1-CD1 3.69Å; F826-L830 HydrophobicContact CE1-CG 4.1Å; F826-L830 HydrophobicContact CZ-CD1 4.27Å; F826-L830 HydrophobicContact CZ-CD2 4.4Å; F826-L830 HydrophobicContact CZ-CG 4.36Å; F826-L830 PolarHBondContact O-N 3.39Å; F826-M883 HydrophobicContact CE1-CG 3.91Å; F826-M883 HydrophobicContact CZ-CG 3.51Å; F826-M883 HydrophobicContact CZ-SD 4.07Å; F826-R887 HydrophobicContact CE1-CG 3.94Å; F826-R887 HydrophobicContact CZ-CG 4.21Å
827Y86.5Confident84.9Confident19 Ų1954.7 Ų54.78%0.07528%0.277CS..Hα-helixtrans-57.5-49171.9172.1-99.9000112V816 L819 P820 D823 E825 N829 L830 T831V816-Y827 HydrophobicContact CG1-CE2 4.24Å; L819-Y827 HydrophobicContact CB-CD2 4.23Å; L819-Y827 HydrophobicContact CD2-CD2 4.31Å; P820-Y827 HydrophobicContact CG-CD1 3.91Å; P820-Y827 HydrophobicContact CG-CD2 3.74Å; P820-Y827 HydrophobicContact CG-CE1 4.16Å; P820-Y827 HydrophobicContact CG-CE2 3.99Å; P820-Y827 HydrophobicContact CG-CG 3.68Å; D823-Y827 PolarHBondContact O-N 3.47Å; D823-Y827 VanDerWaalsContact O-N 3.11Å; E825-Y827 VanDerWaalsContact C-N 3.3Å; E825-Y827 PolarHBondContact O-N 3.3Å; Y827-N829 VanDerWaalsContact C-N 3.26Å; Y827-N829 PolarHBondContact O-N 3.26Å; Y827-L830 PolarHBondContact O-N 3.43Å; Y827-L830 VanDerWaalsContact O-N 3.17Å; Y827-T831 PolarHBondContact O-N 2.78Å; Y827-T831 PolarHBondContact O-OG1 3.43Å; Y827-T831 VanDerWaalsContact O-OG1 3.06Å
828K85.8Confident85.2Confident138 Ų13855.3 Ų55.360%0.629%0.287SS*.Hα-helixtrans-58.4-39.5177.5-70.6170.8-172.8176.10111.9S824 E825 T831 S832S824-K828 WeakPolarHBondContact O-CG 3.32Å; S824-K828 PolarHBondContact O-N 2.97Å; E825-K828 WeakPolarHBondContact O-CB 3.43Å; E825-K828 PolarHBondContact O-N 2.9Å; E825-K828 VanDerWaalsContact O-N 3.15Å; K828-T831 PolarHBondContact O-N 3.41Å; K828-S832 PolarHBondContact O-N 3.25Å
829N87.7Confident85.3Confident85 Ų8558.1 Ų58.146%0.45530%0.303SS..Hα-helixtrans-63.1-46.1176.7-67.1-22000111.6E825 F826 Y827 S832 I833E825-N829 PolarHBondContact O-N 3.24Å; F826-N829 PolarHBondContact O-N 2.84Å; Y827-N829 VanDerWaalsContact C-N 3.26Å; Y827-N829 PolarHBondContact O-N 3.26Å; N829-S832 PolarHBondContact O-N 3.49Å; N829-S832 PolarHBondContact O-OG 3.14Å; N829-I833 PolarHBondContact O-N 2.79Å
830L87.8Confident85.4Confident8 Ų858 Ų584%0.04230%0.303CS..Hα-helixtrans-65.6-37.9175.6-66.8-172.6000113.1L819 F826 Y827 S832 I833 K834 Y879 I880 M883L819-L830 HydrophobicContact CD2-CD1 3.67Å; F826-L830 HydrophobicContact CD1-CD1 4.23Å; F826-L830 HydrophobicContact CD1-CG 4.46Å; F826-L830 HydrophobicContact CE1-CD1 3.69Å; F826-L830 HydrophobicContact CE1-CG 4.1Å; F826-L830 HydrophobicContact CZ-CD1 4.27Å; F826-L830 HydrophobicContact CZ-CD2 4.4Å; F826-L830 HydrophobicContact CZ-CG 4.36Å; F826-L830 PolarHBondContact O-N 3.39Å; Y827-L830 PolarHBondContact O-N 3.43Å; Y827-L830 VanDerWaalsContact O-N 3.17Å; L830-S832 VanDerWaalsContact C-N 3.28Å; L830-S832 PolarHBondContact O-N 3.41Å; L830-I833 HydrophobicContact CD2-CD1 4.16Å; L830-I833 WeakPolarHBondContact O-CB 3.44Å; L830-I833 PolarHBondContact O-N 2.87Å; L830-K834 PolarHBondContact O-N 3.07Å; L830-Y879 HydrophobicContact CD2-CE1 4.31Å; L830-I880 HydrophobicContact CB-CG1 4.48Å; L830-I880 HydrophobicContact CB-CG2 4.25Å; L830-I880 HydrophobicContact CD1-CG2 4.33Å; L830-M883 HydrophobicContact CD1-CB 4.29Å; L830-M883 HydrophobicContact CD1-CG 4.18Å; L830-M883 HydrophobicContact CD2-CG 4.21Å
831T84.6Confident85.4Confident15 Ų1558 Ų589%0.09231%0.306CS..Hα-helixtrans-65.3-33175.8-560000111.6Y827 K828 I833 K834 R835Y827-T831 PolarHBondContact O-N 2.78Å; Y827-T831 PolarHBondContact O-OG1 3.43Å; Y827-T831 VanDerWaalsContact O-OG1 3.06Å; K828-T831 PolarHBondContact O-N 3.41Å; T831-I833 VanDerWaalsContact C-N 3.31Å; T831-I833 PolarHBondContact O-N 2.88Å; T831-K834 WeakPolarHBondContact O-CB 3.35Å; T831-K834 PolarHBondContact O-N 3.28Å; T831-R835 PolarHBondContact O-N 2.7Å; T831-R835 VanDerWaalsContact O-N 3.09Å
832S86.1Confident85.5Confident70 Ų7062.4 Ų62.449%0.4933%0.327SS..Hα-helixtrans-63.7-35.3174800000112.6K828 N829 L830 R835 Y836K828-S832 PolarHBondContact O-N 3.25Å; N829-S832 PolarHBondContact O-N 3.49Å; N829-S832 PolarHBondContact O-OG 3.14Å; L830-S832 VanDerWaalsContact C-N 3.28Å; L830-S832 PolarHBondContact O-N 3.41Å; S832-R835 CarbonylContact O-C 2.91Å; S832-R835 PolarHBondContact O-N 3.34Å; S832-Y836 PolarHBondContact O-N 3.25Å
833I86.4Confident85.5Confident18 Ų1865.9 Ų65.99%0.09235%0.345CS..Hα-helixtrans-65.9-39173.8-61.6170.1000110.8N829 L830 T831 R835 Y836 I840 L845 Y879N829-I833 PolarHBondContact O-N 2.79Å; L830-I833 HydrophobicContact CD2-CD1 4.16Å; L830-I833 WeakPolarHBondContact O-CB 3.44Å; L830-I833 PolarHBondContact O-N 2.87Å; T831-I833 VanDerWaalsContact C-N 3.31Å; T831-I833 PolarHBondContact O-N 2.88Å; I833-R835 VanDerWaalsContact C-N 3.35Å; I833-R835 PolarHBondContact O-N 3.35Å; I833-Y836 PolarHBondContact O-N 3.34Å; I833-I840 HydrophobicContact CG2-CD1 4.1Å; I833-I840 HydrophobicContact CG2-CG2 4.5Å; I833-L845 HydrophobicContact CD1-CD1 3.81Å; I833-L845 HydrophobicContact CG1-CD1 4.49Å; I833-Y879 HydrophobicContact CD1-CE1 3.92Å
834K83.2Confident85.5Confident45 Ų4567.3 Ų67.320%0.19637%0.368CS..Hα-helixtrans-59.3-47175-176-179.1167.5-168.50111D544 E547 L830 T831 Y836 K876 I877 I880D544-K834 IonicContact OD2-NZ 2.74Å; D544-K834 PolarHBondContact OD2-NZ 2.65Å; E547-K834 IonicContact OE1-NZ 3.06Å; E547-K834 PolarHBondContact OE1-NZ 2.93Å; E547-K834 VanDerWaalsContact OE1-NZ 3.1Å; E547-K834 IonicContact OE2-NZ 3.73Å; E547-K834 PolarHBondContact OE2-NZ 2.89Å; L830-K834 PolarHBondContact O-N 3.07Å; T831-K834 WeakPolarHBondContact O-CB 3.35Å; T831-K834 PolarHBondContact O-N 3.28Å; K834-Y836 VanDerWaalsContact C-N 3.33Å; K834-Y836 PolarHBondContact O-N 3.25Å; K834-K876 PolarHBondContact O-NZ 3.34Å; K834-I877 HydrophobicContact CG-CD1 4.09Å; K834-I880 HydrophobicContact CB-CD1 3.8Å
835R82.7Confident85.8Confident107 Ų10766.8 Ų66.840%0.40436%0.36SS..THydrogen-bonded Turntrans-85.96.7-176.6-62.2-177.7180-148.4-7.5114.4E551 T831 S832 I833 D837E551-R835 IonicContact OE1-CZ 3.84Å; E551-R835 IonicContact OE1-NH1 2.86Å; E551-R835 PolarHBondContact OE1-NH1 3.31Å; E551-R835 IonicContact OE1-NH2 3.87Å; E551-R835 PolarHBondContact OE1-NH2 3.15Å; E551-R835 IonicContact OE2-NH2 3.63Å; T831-R835 PolarHBondContact O-N 2.7Å; T831-R835 VanDerWaalsContact O-N 3.09Å; S832-R835 CarbonylContact O-C 2.91Å; S832-R835 PolarHBondContact O-N 3.34Å; I833-R835 VanDerWaalsContact C-N 3.35Å; I833-R835 PolarHBondContact O-N 3.35Å; R835-D837 PolarHBondContact O-N 3.4Å
836Y84.8Confident86.1Confident90 Ų9062.6 Ų62.635%0.35334%0.344SS..  trans-73.1121.6178.6-170.3-106.5000110.8S832 I833 K834 I840S832-Y836 PolarHBondContact O-N 3.25Å; I833-Y836 PolarHBondContact O-N 3.34Å; K834-Y836 VanDerWaalsContact C-N 3.33Å; K834-Y836 PolarHBondContact O-N 3.25Å; Y836-I840 HydrophobicContact CD1-CG1 3.75Å; Y836-I840 HydrophobicContact CG-CG1 4.49Å
837D78.4Confident86.3Confident171 Ų17161.3 Ų61.391%0.91434%0.339SS*.  trans-82.9-16-177.9-69.3-38.4000113.7R835R835-D837 PolarHBondContact O-N 3.4Å
838G85.6Confident86.5Confident30 Ų3060.9 Ų60.931%0.30934%0.338SS..SBendtrans-85.1-171.6179.500000114.4I840 N873G838-I840 PolarHBondContact O-N 2.94Å; G838-N873 PolarHBondContact O-ND2 3.22Å
839D84.4Confident86.8Confident77 Ų7756.4 Ų56.441%0.41232%0.318SS..  trans-78.9117.6170-165.4-5.5000110.4A841 D842D839-A841 PolarHBondContact O-N 2.99Å; D839-A841 PolarHBondContact OD1-N 2.94Å; D839-A841 VanDerWaalsContact OD1-N 3.14Å; D839-D842 VanDerWaalsContact O-CB 3.3Å; D839-D842 WeakPolarHBondContact O-CB 3.43Å; D839-D842 PolarHBondContact O-N 3.13Å; D839-D842 VanDerWaalsContact O-N 3.09Å
840I88.5Confident86.9Confident0 Ų056.4 Ų56.40%032%0.318CS..G310 helixtrans-66.3-22.2-179.1-69.4173000112I833 Y836 G838 D842 L843 V871 N873 K876I833-I840 HydrophobicContact CG2-CD1 4.1Å; I833-I840 HydrophobicContact CG2-CG2 4.5Å; Y836-I840 HydrophobicContact CD1-CG1 3.75Å; Y836-I840 HydrophobicContact CG-CG1 4.49Å; G838-I840 PolarHBondContact O-N 2.94Å; I840-D842 PolarHBondContact O-N 3.38Å; I840-D842 VanDerWaalsContact O-N 3.13Å; I840-L843 HydrophobicContact CG2-CD1 4.42Å; I840-L843 WeakPolarHBondContact O-CB 3.29Å; I840-L843 PolarHBondContact O-N 2.95Å; I840-V871 HydrophobicContact CG2-CB 4.2Å; I840-V871 HydrophobicContact CG2-CG1 3.73Å; I840-N873 WeakPolarHBondContact CD1-OD1 2.86Å; I840-K876 HydrophobicContact CD1-CB 3.46Å; I840-K876 VanDerWaalsContact CD1-CB 3.46Å; I840-K876 HydrophobicContact CD1-CD 3.07Å; I840-K876 HydrophobicContact CD1-CG 3.89Å; I840-K876 HydrophobicContact CG1-CD 4.5Å
841A85.9Confident86.8Confident44 Ų4457.7 Ų57.736%0.36432%0.324SS..G310 helixtrans-56.7-27.9173.600000112.1D839 L843 G844 V871D839-A841 PolarHBondContact O-N 2.99Å; D839-A841 PolarHBondContact OD1-N 2.94Å; D839-A841 VanDerWaalsContact OD1-N 3.14Å; A841-L843 PolarHBondContact O-N 2.96Å; A841-G844 PolarHBondContact O-N 3.34Å; A841-V871 WeakPolarHBondContact CA-O 3.38Å; A841-V871 PolarHBondContact N-O 3.04Å
842D85.9Confident86.8Confident126 Ų12662.3 Ų62.367%0.67435%0.348SS*.G310 helixtrans-67.6-21.9178.5-64-22.9000113D839 I840 G844D839-D842 VanDerWaalsContact O-CB 3.3Å; D839-D842 WeakPolarHBondContact O-CB 3.43Å; D839-D842 PolarHBondContact O-N 3.13Å; D839-D842 VanDerWaalsContact O-N 3.09Å; I840-D842 PolarHBondContact O-N 3.38Å; I840-D842 VanDerWaalsContact O-N 3.13Å; D842-G844 PolarHBondContact O-N 2.87Å
843L86.5Confident86.6Confident79 Ų7959.9 Ų59.941%0.41433%0.33SS..G310 helixtrans-75.5-7.7177.6-61.4177.8000113I840 A841 L845I840-L843 HydrophobicContact CG2-CD1 4.42Å; I840-L843 WeakPolarHBondContact O-CB 3.29Å; I840-L843 PolarHBondContact O-N 2.95Å; A841-L843 PolarHBondContact O-N 2.96Å; L843-L845 HydrophobicContact CB-CD1 4.16Å; L843-L845 HydrophobicContact CB-CG 3.92Å; L843-L845 HydrophobicContact CD1-CD1 4.22Å; L843-L845 PolarHBondContact O-N 3.24Å; L843-L845 VanDerWaalsContact O-N 3.17Å
844G86.5Confident86.3Confident63 Ų6366.6 Ų66.665%0.64936%0.363SS*.THydrogen-bonded Turntrans64.418.7178.300000114.3A841 D842A841-G844 PolarHBondContact O-N 3.34Å; D842-G844 PolarHBondContact O-N 2.87Å
845L91.7Very high86.4Confident45 Ų4567.7 Ų67.724%0.23639%0.387CS..  trans-73.3144.4179.4-61.3176000110.6I833 L843 P870 V871 Y879I833-L845 HydrophobicContact CD1-CD1 3.81Å; I833-L845 HydrophobicContact CG1-CD1 4.49Å; L843-L845 HydrophobicContact CB-CD1 4.16Å; L843-L845 HydrophobicContact CB-CG 3.92Å; L843-L845 HydrophobicContact CD1-CD1 4.22Å; L843-L845 PolarHBondContact O-N 3.24Å; L843-L845 VanDerWaalsContact O-N 3.17Å; L845-P870 WeakPolarHBondContact O-CA 3.24Å; L845-V871 HydrophobicContact CB-CB 3.91Å; L845-V871 HydrophobicContact CB-CG2 3.72Å; L845-V871 PolarHBondContact O-N 2.9Å; L845-Y879 HydrophobicContact CD1-CE1 4.13Å
846T92.3Very high86.5Confident46 Ų4669.2 Ų69.228%0.28240%0.399SS..BIsolated β-bridgetrans-120.8164.1173.850.90000109.6S848 I869 Y879T846-S848 PolarHBondContact O-N 2.85Å; T846-S848 PolarHBondContact OG1-OG 3.23Å; T846-I869 WeakPolarHBondContact CA-O 3.35Å; T846-Y879 WeakPolarHBondContact O-CE2 3.47Å
847L90.5Very high86.6Confident11 Ų1170.6 Ų70.66%0.05841%0.412CS..SBendtrans-75.549.2174-69.2175.5000111.8L862 I863 G866 I869 V871 Y879 L882L847-L862 WeakPolarHBondContact O-CB 3.45Å; L847-L862 PolarHBondContact O-N 3.35Å; L847-I863 HydrophobicContact CB-CD1 4.46Å; L847-I863 HydrophobicContact CB-CG1 4.1Å; L847-I863 HydrophobicContact CD1-CD1 3.44Å; L847-I863 VanDerWaalsContact CD1-CD1 3.44Å; L847-I863 HydrophobicContact CD1-CG1 3.98Å; L847-G866 PolarHBondContact N-O 2.93Å; L847-G866 WeakPolarHBondContact O-CA 3.15Å; L847-I869 HydrophobicContact CD1-CB 4.09Å; L847-I869 HydrophobicContact CD1-CG2 3.65Å; L847-I869 HydrophobicContact CG-CG2 4.34Å; L847-I869 PolarHBondContact N-O 3.24Å; L847-I869 VanDerWaalsContact N-O 3.08Å; L847-V871 HydrophobicContact CD2-CG2 4.25Å; L847-Y879 HydrophobicContact CD2-CD2 3.8Å; L847-Y879 HydrophobicContact CD2-CG 4.28Å; L847-L882 HydrophobicContact CD2-CD1 4.28Å
848S92.4Very high87.1Confident10 Ų1064.7 Ų64.77%0.0738%0.382CS..EExtended strand (participates in β ladder)trans-141.3163.8175.840.80000111.7T846 H860T846-S848 PolarHBondContact O-N 2.85Å; T846-S848 PolarHBondContact OG1-OG 3.23Å; S848-H860 CarbonylContact C-O 3.56Å; S848-H860 WeakPolarHBondContact CA-O 3.49Å; S848-H860 WeakPolarHBondContact CB-O 3.1Å
849Y90.9Very high87.3Confident44 Ų4465.1 Ų65.117%0.17338%0.379CS..EExtended strand (participates in β ladder)trans-126.6123.5177.1176.3-111.6000109.9E851 H860 M883 F886 R887Y849-E851 HydrophobicContact CD1-CB 4.23Å; Y849-E851 HydrophobicContact CE1-CB 3.69Å; Y849-E851 HydrophobicContact CE1-CG 4.11Å; Y849-H860 PolarHBondContact N-O 3.41Å; Y849-H860 PolarHBondContact O-N 2.95Å; Y849-M883 HydrophobicContact CD2-CE 3.95Å; Y849-M883 HydrophobicContact CD2-SD 3.74Å; Y849-M883 HydrophobicContact CG-CE 4.39Å; Y849-M883 HydrophobicContact CG-SD 4.06Å; Y849-F886 HydrophobicContact CD1-CD1 4.04Å; Y849-F886 AromaticContact CD1-CE1 3.44Å; Y849-F886 HydrophobicContact CD1-CE1 3.44Å; Y849-F886 VanDerWaalsContact CD1-CE1 3.44Å; Y849-F886 HydrophobicContact CD1-CZ 4.25Å; Y849-F886 HydrophobicContact CE1-CE1 4.01Å; Y849-F886 HydrophobicContact CG-CD1 4.42Å; Y849-F886 HydrophobicContact CG-CE1 4.21Å; Y849-R887 PolarHBondContact OH-NH1 2.72Å
850D89.4Confident87.6Confident86 Ų8664.2 Ų64.246%0.4637%0.373SS..EExtended strand (participates in β ladder)trans-95.6119.1175.8-65.5-28.1000109.7L857 C859D850-L857 HydrophobicContact CB-CD1 4.36Å; D850-L857 HydrophobicContact CB-CD2 4.13Å; D850-L857 HydrophobicContact CB-CG 4.22Å; D850-C859 WeakPolarHBondContact OD1-CA 3.46Å; D850-C859 WeakPolarHBondContact OD1-CB 3.32Å; D850-C859 PolarHBondContact OD1-SG 2.94Å
851E86.8Confident87.7Confident35 Ų3568.4 Ų68.416%0.16439%0.392CS..EExtended strand (participates in β ladder)trans-112.5132177.9-168.3168.7-145.200110.2Y849 V853 V858 H860 R887Y849-E851 HydrophobicContact CD1-CB 4.23Å; Y849-E851 HydrophobicContact CE1-CB 3.69Å; Y849-E851 HydrophobicContact CE1-CG 4.11Å; E851-V853 HydrophobicContact CB-CG2 4.33Å; E851-V853 HydrophobicContact CG-CG2 3.92Å; E851-V853 PolarHBondContact O-N 3.01Å; E851-V858 PolarHBondContact N-O 3.12Å; E851-V858 PolarHBondContact O-N 3.22Å; E851-H860 IonicContact OE2-NE2 3.18Å; E851-R887 IonicContact OE1-NH1 2.72Å
852D85Confident87.9Confident111 Ų11167.4 Ų67.459%0.59438%0.381SS*.EExtended strand (participates in β ladder)trans-83.5109.9168.7-175.2-9.4000109.4G855D852-G855 WeakPolarHBondContact OD1-CA 3.45Å; D852-G855 PolarHBondContact OD1-N 3.41Å
853V81.6Confident87.9Confident20 Ų2064 Ų6412%0.12136%0.362CS..EExtended strand (participates in β ladder)trans-112.4103.3176.8-174.40000109T764 Y766 E851 G855 Q856 V858T764-V853 HydrophobicContact CG2-CG1 4.46Å; Y766-V853 WeakPolarHBondContact OH-CG1 3.47Å; E851-V853 HydrophobicContact CB-CG2 4.33Å; E851-V853 HydrophobicContact CG-CG2 3.92Å; E851-V853 PolarHBondContact O-N 3.01Å; V853-G855 VanDerWaalsContact C-N 3.27Å; V853-G855 PolarHBondContact O-N 3.22Å; V853-Q856 PolarHBondContact N-O 3.23Å; V853-Q856 PolarHBondContact O-N 3.04Å; V853-V858 HydrophobicContact CB-CG2 4.28Å; V853-V858 HydrophobicContact CG2-CB 4.49Å; V853-V858 HydrophobicContact CG2-CG2 4.19Å
854M80.3Confident87.9Confident159 Ų15966.2 Ų66.278%0.78338%0.381SS*.THydrogen-bonded Turntrans55.635.6-179.8-56.8-175.3177.300114.3I767 Q856I767-M854 HydrophobicContact CD1-CE 3.21Å; I767-M854 HydrophobicContact CG1-CE 3.85Å; M854-Q856 VanDerWaalsContact C-N 3.34Å
855G83.5Confident87.9Confident68 Ų6864.8 Ų64.870%0.70137%0.366SS*.THydrogen-bonded Turntrans87.40.4-178.800000114D852 V853D852-G855 WeakPolarHBondContact OD1-CA 3.45Å; D852-G855 PolarHBondContact OD1-N 3.41Å; V853-G855 VanDerWaalsContact C-N 3.27Å; V853-G855 PolarHBondContact O-N 3.22Å
856Q85Confident87.8Confident138 Ų13862.6 Ų62.665%0.64536%0.355SS*.EExtended strand (participates in β ladder)trans-103.6122.9172-175.2176.8-6.200110.1V853 M854 V858V853-Q856 PolarHBondContact N-O 3.23Å; V853-Q856 PolarHBondContact O-N 3.04Å; M854-Q856 VanDerWaalsContact C-N 3.34Å; Q856-V858 HydrophobicContact CG-CG2 4.43Å; Q856-V858 PolarHBondContact O-N 3.09Å
857L87.1Confident87.7Confident120 Ų12064.8 Ų64.863%0.62836%0.36SS*.EExtended strand (participates in β ladder)trans-74.4111.7173.6-157.796000109.8D850D850-L857 HydrophobicContact CB-CD1 4.36Å; D850-L857 HydrophobicContact CB-CD2 4.13Å; D850-L857 HydrophobicContact CB-CG 4.22Å
858V89.3Confident87.6Confident47 Ų4770 Ų7029%0.28539%0.393SS..EExtended strand (participates in β ladder)trans-104.9120.3176.2-176.50000108.8E851 V853 Q856 H860E851-V858 PolarHBondContact N-O 3.12Å; E851-V858 PolarHBondContact O-N 3.22Å; V853-V858 HydrophobicContact CB-CG2 4.28Å; V853-V858 HydrophobicContact CG2-CB 4.49Å; V853-V858 HydrophobicContact CG2-CG2 4.19Å; Q856-V858 HydrophobicContact CG-CG2 4.43Å; Q856-V858 PolarHBondContact O-N 3.09Å; V858-H860 WeakPolarHBondContact CG1-NE2 3.21Å
859C90.1Very high87.4Confident38 Ų3872.4 Ų72.426%0.25740%0.404SS..EExtended strand (participates in β ladder)trans-99.5110.2-178.4178.40000111D850 K867D850-C859 WeakPolarHBondContact OD1-CA 3.46Å; D850-C859 WeakPolarHBondContact OD1-CB 3.32Å; D850-C859 PolarHBondContact OD1-SG 2.94Å; C859-K867 WeakPolarHBondContact O-CE 3.32Å; C859-K867 PolarHBondContact O-NZ 3.13Å; C859-K867 VanDerWaalsContact SG-CD 3.58Å; C859-K867 WeakPolarHBondContact SG-CE 3.36Å; C859-K867 PolarHBondContact SG-NZ 3.03Å
860H90.3Very high87.4Confident58 Ų5873.8 Ų73.827%0.26942%0.418SS..EExtended strand (participates in β ladder)trans-92.7126.3179.2-62.1-86.7000111.1S848 Y849 E851 V858 F886S848-H860 CarbonylContact C-O 3.56Å; S848-H860 WeakPolarHBondContact CA-O 3.49Å; S848-H860 WeakPolarHBondContact CB-O 3.1Å; Y849-H860 PolarHBondContact N-O 3.41Å; Y849-H860 PolarHBondContact O-N 2.95Å; E851-H860 IonicContact OE2-NE2 3.18Å; V858-H860 WeakPolarHBondContact CG1-NE2 3.21Å; H860-F886 HydrophobicContact CB-CE1 4.5Å; H860-F886 HydrophobicContact CB-CE2 3.87Å; H860-F886 HydrophobicContact CB-CZ 3.68Å; H860-F886 AromaticContact CG-CZ 3.61Å; H860-F886 AromaticContact ND1-CZ 3.91Å
861E91.3Very high87.4Confident88 Ų8869.7 Ų69.741%0.41140%0.397SS..EExtended strand (participates in β ladder)trans-82128.9175-46.9-160.4140.300110.8I863 G865 K867E861-I863 WeakPolarHBondContact CB-O 3.29Å; E861-G865 PolarHBondContact OE2-N 3.1Å; E861-K867 HydrophobicContact CG-CD 4.12Å; E861-K867 HydrophobicContact CG-CG 3.9Å; E861-K867 VanDerWaalsContact OE1-CD 3.31Å; E861-K867 WeakPolarHBondContact OE1-CD 3.42Å; E861-K867 WeakPolarHBondContact OE1-CE 3.23Å; E861-K867 VanDerWaalsContact OE1-CG 3.29Å; E861-K867 WeakPolarHBondContact OE1-CG 2.96Å
862L90.1Very high87.5Confident23 Ų2370 Ų7012%0.1240%0.401CS..SBendtrans-76.6-30.2177-60177.5000111.9L847 Y879 L882 M883 F886L847-L862 WeakPolarHBondContact O-CB 3.45Å; L847-L862 PolarHBondContact O-N 3.35Å; L862-Y879 HydrophobicContact CD1-CD2 3.91Å; L862-Y879 HydrophobicContact CD1-CE2 3.96Å; L862-L882 HydrophobicContact CB-CB 4.17Å; L862-L882 HydrophobicContact CB-CD1 4.49Å; L862-L882 HydrophobicContact CD1-CB 4.13Å; L862-M883 HydrophobicContact CD1-CB 4.46Å; L862-M883 HydrophobicContact CD1-CE 3.98Å; L862-M883 HydrophobicContact CD2-SD 4.44Å; L862-F886 HydrophobicContact CD2-CB 3.62Å; L862-F886 HydrophobicContact CD2-CD1 4.5Å; L862-F886 HydrophobicContact CD2-CD2 4.22Å; L862-F886 HydrophobicContact CD2-CG 3.86Å
863I85.5Confident87.4Confident55 Ų5568.1 Ų68.128%0.28239%0.391SS..SBendtrans-134.7156.8170.460.1166.3000109L847 E861 G865 G866 I869 L882L847-I863 HydrophobicContact CB-CD1 4.46Å; L847-I863 HydrophobicContact CB-CG1 4.1Å; L847-I863 HydrophobicContact CD1-CD1 3.44Å; L847-I863 VanDerWaalsContact CD1-CD1 3.44Å; L847-I863 HydrophobicContact CD1-CG1 3.98Å; E861-I863 WeakPolarHBondContact CB-O 3.29Å; I863-G865 PolarHBondContact O-N 3.28Å; I863-G866 WeakPolarHBondContact O-CA 3.43Å; I863-G866 PolarHBondContact O-N 3.34Å; I863-I869 HydrophobicContact CD1-CD1 3.73Å; I863-I869 HydrophobicContact CG1-CD1 4.49Å; I863-L882 HydrophobicContact CG2-CD1 3.74Å; I863-L882 HydrophobicContact CG2-CD2 4.15Å
864P86Confident87.2Confident126 Ų12676.3 Ų76.382%0.81843%0.428SS*.THydrogen-bonded Turntrans-54.7122.9175.9-25.935.1000112G866P864-G866 VanDerWaalsContact C-N 3.3Å
865G87.5Confident87.3Confident32 Ų3270.3 Ų70.333%0.3340%0.399SS..THydrogen-bonded Turntrans78.88.6-177.300000114.8E861 I863 K867 T868E861-G865 PolarHBondContact OE2-N 3.1Å; I863-G865 PolarHBondContact O-N 3.28Å; G865-K867 PolarHBondContact O-N 2.89Å; G865-K867 VanDerWaalsContact O-N 3.13Å; G865-T868 PolarHBondContact O-N 3.47Å; G865-T868 PolarHBondContact O-OG1 3.21Å
866G89.1Confident87.4Confident0 Ų068.9 Ų68.90%037%0.373CS..G310 helixtrans-58.6-26.1-173.600000115.2L847 I863 P864 T868 I869L847-G866 PolarHBondContact N-O 2.93Å; L847-G866 WeakPolarHBondContact O-CA 3.15Å; I863-G866 WeakPolarHBondContact O-CA 3.43Å; I863-G866 PolarHBondContact O-N 3.34Å; P864-G866 VanDerWaalsContact C-N 3.3Å; G866-T868 PolarHBondContact O-N 2.88Å; G866-T868 VanDerWaalsContact O-N 3.14Å; G866-I869 PolarHBondContact O-N 3Å; G866-I869 VanDerWaalsContact O-N 3.07Å
867K89.4Confident87.3Confident91 Ų9165.7 Ų65.740%0.39636%0.36SS..G310 helixtrans-59.6-24.4175.5-64179.8-165.3-153.50113.6C859 E861 G865C859-K867 WeakPolarHBondContact O-CE 3.32Å; C859-K867 PolarHBondContact O-NZ 3.13Å; C859-K867 VanDerWaalsContact SG-CD 3.58Å; C859-K867 WeakPolarHBondContact SG-CE 3.36Å; C859-K867 PolarHBondContact SG-NZ 3.03Å; E861-K867 HydrophobicContact CG-CD 4.12Å; E861-K867 HydrophobicContact CG-CG 3.9Å; E861-K867 VanDerWaalsContact OE1-CD 3.31Å; E861-K867 WeakPolarHBondContact OE1-CD 3.42Å; E861-K867 WeakPolarHBondContact OE1-CE 3.23Å; E861-K867 VanDerWaalsContact OE1-CG 3.29Å; E861-K867 WeakPolarHBondContact OE1-CG 2.96Å; G865-K867 PolarHBondContact O-N 2.89Å; G865-K867 VanDerWaalsContact O-N 3.13Å
868T88.2Confident87Confident121 Ų12163.3 Ų63.374%0.74235%0.353SS*.G310 helixtrans-99.4-4.9-179630000113.3G865 G866G865-T868 PolarHBondContact O-N 3.47Å; G865-T868 PolarHBondContact O-OG1 3.21Å; G866-T868 PolarHBondContact O-N 2.88Å; G866-T868 VanDerWaalsContact O-N 3.14Å
869I89.4Confident87Confident60 Ų6061.9 Ų61.931%0.30834%0.343SS..SBendtrans-104.1111.6-175.3-58.7169.4000108.3T846 L847 I863 G866T846-I869 WeakPolarHBondContact CA-O 3.35Å; L847-I869 HydrophobicContact CD1-CB 4.09Å; L847-I869 HydrophobicContact CD1-CG2 3.65Å; L847-I869 HydrophobicContact CG-CG2 4.34Å; L847-I869 PolarHBondContact N-O 3.24Å; L847-I869 VanDerWaalsContact N-O 3.08Å; I863-I869 HydrophobicContact CD1-CD1 3.73Å; I863-I869 HydrophobicContact CG1-CD1 4.49Å; G866-I869 PolarHBondContact O-N 3Å; G866-I869 VanDerWaalsContact O-N 3.07Å
870P91.2Very high86.9Confident73 Ų7360.6 Ų60.647%0.47433%0.333SS..BIsolated β-bridgetrans-70.8149.5177.729.6-34.2000111.2L845 N875L845-P870 WeakPolarHBondContact O-CA 3.24Å; P870-N875 PolarHBondContact O-ND2 3.46Å
871V90Very high86.6Confident0 Ų061.5 Ų61.50%034%0.338CS..  trans-78.7127.3169.9-173.70000108.6I840 A841 L845 L847 N875 K876 Y879I840-V871 HydrophobicContact CG2-CB 4.2Å; I840-V871 HydrophobicContact CG2-CG1 3.73Å; A841-V871 WeakPolarHBondContact CA-O 3.38Å; A841-V871 PolarHBondContact N-O 3.04Å; L845-V871 HydrophobicContact CB-CB 3.91Å; L845-V871 HydrophobicContact CB-CG2 3.72Å; L845-V871 PolarHBondContact O-N 2.9Å; L847-V871 HydrophobicContact CD2-CG2 4.25Å; V871-N875 VanDerWaalsContact CA-OD1 3.23Å; V871-N875 WeakPolarHBondContact CA-OD1 3.4Å; V871-N875 WeakPolarHBondContact CG1-OD1 3.49Å; V871-K876 HydrophobicContact CG1-CB 4.4Å; V871-Y879 HydrophobicContact CG1-CD1 4.27Å; V871-Y879 HydrophobicContact CG1-CG 4.09Å; V871-Y879 HydrophobicContact CG2-CD1 4.34Å; V871-Y879 HydrophobicContact CG2-CD2 3.67Å; V871-Y879 HydrophobicContact CG2-CE2 4.11Å; V871-Y879 HydrophobicContact CG2-CG 3.76Å
872T88.4Confident86.4Confident41 Ų4159.8 Ų59.825%0.25233%0.331SS..  trans-124.7169-17969.40000110E874 N875 K876T872-E874 PolarHBondContact O-N 3.22Å; T872-E874 VanDerWaalsContact O-N 3.13Å; T872-E874 PolarHBondContact OG1-N 3.18Å; T872-N875 PolarHBondContact N-OD1 3.33Å; T872-N875 PolarHBondContact O-N 3.47Å; T872-N875 VanDerWaalsContact O-N 3.08Å; T872-N875 PolarHBondContact O-OD1 3.33Å; T872-K876 WeakPolarHBondContact O-CB 3.41Å; T872-K876 PolarHBondContact O-N 3.14Å
873N82.8Confident86.4Confident72 Ų7258.8 Ų58.839%0.38533%0.326SS..THydrogen-bonded Turntrans-57.7-26.6174.5-84.4-44.7000114G838 I840G838-N873 PolarHBondContact O-ND2 3.22Å; I840-N873 WeakPolarHBondContact CD1-OD1 2.86Å
874E77.8Confident86.6Confident192 Ų19256.2 Ų56.290%0.89731%0.312SS*.THydrogen-bonded Turntrans-75.5-31.6177.4-61.6-175.6170.800112.7T872T872-E874 PolarHBondContact O-N 3.22Å; T872-E874 VanDerWaalsContact O-N 3.13Å; T872-E874 PolarHBondContact OG1-N 3.18Å
875N81.8Confident86.7Confident33 Ų3354 Ų5418%0.17629%0.291CS..THydrogen-bonded Turntrans-111.9-0.1-174.674.720.6000114.2P870 V871 T872 I877 S878 Y879P870-N875 PolarHBondContact O-ND2 3.46Å; V871-N875 VanDerWaalsContact CA-OD1 3.23Å; V871-N875 WeakPolarHBondContact CA-OD1 3.4Å; V871-N875 WeakPolarHBondContact CG1-OD1 3.49Å; T872-N875 PolarHBondContact N-OD1 3.33Å; T872-N875 PolarHBondContact O-N 3.47Å; T872-N875 VanDerWaalsContact O-N 3.08Å; T872-N875 PolarHBondContact O-OD1 3.33Å; N875-I877 VanDerWaalsContact C-N 3.28Å; N875-I877 PolarHBondContact O-N 3.4Å; N875-S878 WeakPolarHBondContact O-CA 3.34Å; N875-S878 WeakPolarHBondContact O-CB 3.3Å; N875-S878 PolarHBondContact O-N 3.22Å; N875-Y879 PolarHBondContact O-N 3.04Å
876K85.5Confident86.8Confident38 Ų3853.3 Ų53.317%0.16528%0.279CS..Hα-helixtrans-53.6-40.8-176.972179.8-176.5174.30114K834 I840 V871 T872 Y879 I880K834-K876 PolarHBondContact O-NZ 3.34Å; I840-K876 HydrophobicContact CD1-CB 3.46Å; I840-K876 VanDerWaalsContact CD1-CB 3.46Å; I840-K876 HydrophobicContact CD1-CD 3.07Å; I840-K876 HydrophobicContact CD1-CG 3.89Å; I840-K876 HydrophobicContact CG1-CD 4.5Å; V871-K876 HydrophobicContact CG1-CB 4.4Å; T872-K876 WeakPolarHBondContact O-CB 3.41Å; T872-K876 PolarHBondContact O-N 3.14Å; K876-Y879 PolarHBondContact O-N 3.26Å; K876-I880 WeakPolarHBondContact O-CG1 3.48Å; K876-I880 PolarHBondContact O-N 3.09Å; K876-I880 VanDerWaalsContact O-N 3.11Å
877I82.8Confident86.9Confident72 Ų7254.9 Ų54.937%0.36929%0.285SS..Hα-helixtrans-67.6-43.6179.4-56.6-57.8000109.7K834 N875 Y879 I880 H881K834-I877 HydrophobicContact CG-CD1 4.09Å; N875-I877 VanDerWaalsContact C-N 3.28Å; N875-I877 PolarHBondContact O-N 3.4Å; I877-Y879 VanDerWaalsContact C-N 3.33Å; I877-Y879 PolarHBondContact O-N 3.49Å; I877-I880 PolarHBondContact O-N 2.81Å; I877-H881 PolarHBondContact O-CD2 2.78Å; I877-H881 PolarHBondContact O-N 2.87Å; I877-H881 VanDerWaalsContact O-N 3.11Å
878S81.6Confident86.7Confident69 Ų6950.6 Ų50.648%0.48327%0.266SS..Hα-helixtrans-60.4-41.7175.2-55.30000112.2N875 H881 L882N875-S878 WeakPolarHBondContact O-CA 3.34Å; N875-S878 WeakPolarHBondContact O-CB 3.3Å; N875-S878 PolarHBondContact O-N 3.22Å; S878-H881 PolarHBondContact O-N 3.12Å; S878-L882 WeakPolarHBondContact O-CB 3.47Å; S878-L882 WeakPolarHBondContact O-CG 3.46Å; S878-L882 PolarHBondContact O-N 3.44Å
879Y87.7Confident86.7Confident17 Ų1746 Ų467%0.06724%0.236CC..Hα-helixtrans-58.1-47.5174.5170.6-105.3000112.2L830 I833 L845 T846 L847 L862 V871 N875 K876 I877 H881 L882 M883L830-Y879 HydrophobicContact CD2-CE1 4.31Å; I833-Y879 HydrophobicContact CD1-CE1 3.92Å; L845-Y879 HydrophobicContact CD1-CE1 4.13Å; T846-Y879 WeakPolarHBondContact O-CE2 3.47Å; L847-Y879 HydrophobicContact CD2-CD2 3.8Å; L847-Y879 HydrophobicContact CD2-CG 4.28Å; L862-Y879 HydrophobicContact CD1-CD2 3.91Å; L862-Y879 HydrophobicContact CD1-CE2 3.96Å; V871-Y879 HydrophobicContact CG1-CD1 4.27Å; V871-Y879 HydrophobicContact CG1-CG 4.09Å; V871-Y879 HydrophobicContact CG2-CD1 4.34Å; V871-Y879 HydrophobicContact CG2-CD2 3.67Å; V871-Y879 HydrophobicContact CG2-CE2 4.11Å; V871-Y879 HydrophobicContact CG2-CG 3.76Å; N875-Y879 PolarHBondContact O-N 3.04Å; K876-Y879 PolarHBondContact O-N 3.26Å; I877-Y879 VanDerWaalsContact C-N 3.33Å; I877-Y879 PolarHBondContact O-N 3.49Å; Y879-H881 PolarHBondContact O-N 3.46Å; Y879-L882 PolarHBondContact O-N 3.43Å; Y879-M883 HydrophobicContact CE2-CE 3.61Å; Y879-M883 VanDerWaalsContact O-CB 3.28Å; Y879-M883 WeakPolarHBondContact O-CB 3.47Å; Y879-M883 PolarHBondContact O-N 2.73Å; Y879-M883 VanDerWaalsContact OH-CE 3.23Å; Y879-M883 WeakPolarHBondContact OH-CE 3.32Å
880I88Confident86.7Confident11 Ų1146 Ų466%0.05624%0.24CC..Hα-helixtrans-58.2-48178.8-68.5165000111.1V816 L830 K834 K876 I877 M883 A884V816-I880 HydrophobicContact CG1-CG2 4.46Å; V816-I880 HydrophobicContact CG2-CG2 4.04Å; L830-I880 HydrophobicContact CB-CG1 4.48Å; L830-I880 HydrophobicContact CB-CG2 4.25Å; L830-I880 HydrophobicContact CD1-CG2 4.33Å; K834-I880 HydrophobicContact CB-CD1 3.8Å; K876-I880 WeakPolarHBondContact O-CG1 3.48Å; K876-I880 PolarHBondContact O-N 3.09Å; K876-I880 VanDerWaalsContact O-N 3.11Å; I877-I880 PolarHBondContact O-N 2.81Å; I880-M883 PolarHBondContact O-N 2.99Å; I880-A884 WeakPolarHBondContact O-CB 3.4Å; I880-A884 PolarHBondContact O-N 3.41Å
881H85.5Confident86.6Confident77 Ų7743.8 Ų43.836%0.35622%0.223SC..Hα-helixtrans-64.9-43.5178.6-78.2-79.3000112.6V816 I877 S878 Y879 M883 A884 H885V816-H881 WeakPolarHBondContact CG2-ND1 3.5Å; I877-H881 PolarHBondContact O-CD2 2.78Å; I877-H881 PolarHBondContact O-N 2.87Å; I877-H881 VanDerWaalsContact O-N 3.11Å; S878-H881 PolarHBondContact O-N 3.12Å; Y879-H881 PolarHBondContact O-N 3.46Å; H881-M883 VanDerWaalsContact C-N 3.34Å; H881-A884 PolarHBondContact O-N 3.05Å; H881-H885 VanDerWaalsContact O-CB 3.24Å; H881-H885 WeakPolarHBondContact O-CB 3.47Å; H881-H885 PolarHBondContact O-N 3.33Å
882L86.8Confident86.7Confident52 Ų5243.8 Ų43.827%0.27222%0.223SC..Hα-helixtrans-62.9-41.7178.2-74.7168.9000111.5L847 L862 I863 S878 Y879 H885 F886L847-L882 HydrophobicContact CD2-CD1 4.28Å; L862-L882 HydrophobicContact CB-CB 4.17Å; L862-L882 HydrophobicContact CB-CD1 4.49Å; L862-L882 HydrophobicContact CD1-CB 4.13Å; I863-L882 HydrophobicContact CG2-CD1 3.74Å; I863-L882 HydrophobicContact CG2-CD2 4.15Å; S878-L882 WeakPolarHBondContact O-CB 3.47Å; S878-L882 WeakPolarHBondContact O-CG 3.46Å; S878-L882 PolarHBondContact O-N 3.44Å; Y879-L882 PolarHBondContact O-N 3.43Å; L882-H885 PolarHBondContact O-N 2.85Å; L882-F886 WeakPolarHBondContact O-CB 3.46Å; L882-F886 PolarHBondContact O-N 2.91Å
883M90.1Very high86.9Confident3 Ų347.4 Ų47.42%0.01524%0.235CC..Hα-helixtrans-65.6-47.4178-173.161.878.300111.6F826 L830 Y849 L862 Y879 I880 H881 H885 F886 R887F826-M883 HydrophobicContact CE1-CG 3.91Å; F826-M883 HydrophobicContact CZ-CG 3.51Å; F826-M883 HydrophobicContact CZ-SD 4.07Å; L830-M883 HydrophobicContact CD1-CB 4.29Å; L830-M883 HydrophobicContact CD1-CG 4.18Å; L830-M883 HydrophobicContact CD2-CG 4.21Å; Y849-M883 HydrophobicContact CD2-CE 3.95Å; Y849-M883 HydrophobicContact CD2-SD 3.74Å; Y849-M883 HydrophobicContact CG-CE 4.39Å; Y849-M883 HydrophobicContact CG-SD 4.06Å; L862-M883 HydrophobicContact CD1-CB 4.46Å; L862-M883 HydrophobicContact CD1-CE 3.98Å; L862-M883 HydrophobicContact CD2-SD 4.44Å; Y879-M883 HydrophobicContact CE2-CE 3.61Å; Y879-M883 VanDerWaalsContact O-CB 3.28Å; Y879-M883 WeakPolarHBondContact O-CB 3.47Å; Y879-M883 PolarHBondContact O-N 2.73Å; Y879-M883 VanDerWaalsContact OH-CE 3.23Å; Y879-M883 WeakPolarHBondContact OH-CE 3.32Å; I880-M883 PolarHBondContact O-N 2.99Å; H881-M883 VanDerWaalsContact C-N 3.34Å; M883-H885 PolarHBondContact O-N 3.07Å; M883-F886 PolarHBondContact O-N 2.91Å; M883-R887 WeakPolarHBondContact O-CG 3.15Å; M883-R887 PolarHBondContact O-N 3.4Å
884A89.2Confident87.4Confident0 Ų048.5 Ų48.50%024%0.241CC..Hα-helixtrans-59.8-46.2175.600000111.4V816 L819 I880 H881 F886 R887 M888V816-A884 HydrophobicContact CG2-CB 3.96Å; L819-A884 HydrophobicContact CD2-CB 4.23Å; I880-A884 WeakPolarHBondContact O-CB 3.4Å; I880-A884 PolarHBondContact O-N 3.41Å; H881-A884 PolarHBondContact O-N 3.05Å; A884-F886 VanDerWaalsContact C-N 3.33Å; A884-F886 PolarHBondContact O-N 2.9Å; A884-R887 PolarHBondContact O-N 3.03Å; A884-M888 WeakPolarHBondContact O-CB 3.45Å; A884-M888 VanDerWaalsContact O-CG 3.32Å; A884-M888 WeakPolarHBondContact O-CG 3.44Å; A884-M888 PolarHBondContact O-N 2.83Å
885H88Confident88.3Confident81 Ų8139.7 Ų39.738%0.37520%0.2SC..Hα-helixtrans-62.8-37.7176.5178.5-94.4000112.5H881 L882 M883 H889 T890H881-H885 VanDerWaalsContact O-CB 3.24Å; H881-H885 WeakPolarHBondContact O-CB 3.47Å; H881-H885 PolarHBondContact O-N 3.33Å; L882-H885 PolarHBondContact O-N 2.85Å; M883-H885 PolarHBondContact O-N 3.07Å; H885-H889 AromaticContact CE1-CD2 3.85Å; H885-H889 AromaticContact NE2-CD2 3.51Å; H885-H889 WeakPolarHBondContact O-CB 3.44Å; H885-H889 PolarHBondContact O-N 3.47Å; H885-T890 PolarHBondContact CE1-OG1 2.85Å; H885-T890 PolarHBondContact ND1-OG1 3.18Å; H885-T890 PolarHBondContact O-N 3.18Å; H885-T890 VanDerWaalsContact O-N 3.1Å; H885-T890 PolarHBondContact O-OG1 3.22Å
886F90.6Very high88.8Confident17 Ų1738.3 Ų38.38%0.07519%0.193CC..Hα-helixtrans-61.6-53.7175.9176.9-94.1000111.3Y849 H860 L862 L882 M883 A884 M888 T890 Q891Y849-F886 HydrophobicContact CD1-CD1 4.04Å; Y849-F886 AromaticContact CD1-CE1 3.44Å; Y849-F886 HydrophobicContact CD1-CE1 3.44Å; Y849-F886 VanDerWaalsContact CD1-CE1 3.44Å; Y849-F886 HydrophobicContact CD1-CZ 4.25Å; Y849-F886 HydrophobicContact CE1-CE1 4.01Å; Y849-F886 HydrophobicContact CG-CD1 4.42Å; Y849-F886 HydrophobicContact CG-CE1 4.21Å; H860-F886 HydrophobicContact CB-CE1 4.5Å; H860-F886 HydrophobicContact CB-CE2 3.87Å; H860-F886 HydrophobicContact CB-CZ 3.68Å; H860-F886 AromaticContact CG-CZ 3.61Å; H860-F886 AromaticContact ND1-CZ 3.91Å; L862-F886 HydrophobicContact CD2-CB 3.62Å; L862-F886 HydrophobicContact CD2-CD1 4.5Å; L862-F886 HydrophobicContact CD2-CD2 4.22Å; L862-F886 HydrophobicContact CD2-CG 3.86Å; L882-F886 WeakPolarHBondContact O-CB 3.46Å; L882-F886 PolarHBondContact O-N 2.91Å; M883-F886 PolarHBondContact O-N 2.91Å; A884-F886 VanDerWaalsContact C-N 3.33Å; A884-F886 PolarHBondContact O-N 2.9Å; F886-M888 PolarHBondContact O-N 2.89Å; F886-T890 HydrophobicContact CD2-CG2 3.89Å; F886-T890 HydrophobicContact CE2-CG2 4.25Å; F886-T890 PolarHBondContact O-N 2.93Å; F886-T890 VanDerWaalsContact O-N 3.15Å; F886-Q891 HydrophobicContact CE1-CB 4.28Å; F886-Q891 HydrophobicContact CZ-CB 4.19Å; F886-Q891 WeakPolarHBondContact O-CG 3.23Å; F886-Q891 PolarHBondContact O-N 3.41Å
887R89.2Confident89.3Confident33 Ų3339.2 Ų39.213%0.12521%0.207CC..Hα-helixtrans-64.5-36.8-177.8-67.9-66.4-68.4168.7-14.2113L822 F826 Y849 E851 M883 A884 Q891L822-R887 HydrophobicContact CD2-CB 4.18Å; F826-R887 HydrophobicContact CE1-CG 3.94Å; F826-R887 HydrophobicContact CZ-CG 4.21Å; Y849-R887 PolarHBondContact OH-NH1 2.72Å; E851-R887 IonicContact OE1-NH1 2.72Å; M883-R887 WeakPolarHBondContact O-CG 3.15Å; M883-R887 PolarHBondContact O-N 3.4Å; A884-R887 PolarHBondContact O-N 3.03Å; R887-Q891 VanDerWaalsContact O-CD 3.3Å; R887-Q891 WeakPolarHBondContact O-CG 3.46Å; R887-Q891 PolarHBondContact O-NE2 3.1Å
888M86.7Confident89.9Confident0 Ų036.5 Ų36.50%020%0.195CC..Hα-helixtrans-91.1-28.3-173.6-66.9-1776800114F799 Q803 Y813 E818 L819 L822 A884 F886 I892F799-M888 HydrophobicContact CB-CE 3.17Å; F799-M888 HydrophobicContact CD1-CE 4.37Å; F799-M888 HydrophobicContact CD2-CB 4.41Å; F799-M888 HydrophobicContact CD2-CE 3.95Å; F799-M888 HydrophobicContact CG-CE 3.6Å; Q803-M888 PolarHBondContact NE2-O 3.24Å; Y813-M888 WeakPolarHBondContact OH-CE 3.45Å; E818-M888 HydrophobicContact CB-CE 3.27Å; E818-M888 HydrophobicContact CB-SD 4.32Å; L819-M888 HydrophobicContact CB-SD 4.02Å; L819-M888 HydrophobicContact CD1-CG 4.05Å; L819-M888 HydrophobicContact CD1-SD 3.93Å; L822-M888 HydrophobicContact CD2-CG 3.86Å; A884-M888 WeakPolarHBondContact O-CB 3.45Å; A884-M888 VanDerWaalsContact O-CG 3.32Å; A884-M888 WeakPolarHBondContact O-CG 3.44Å; A884-M888 PolarHBondContact O-N 2.83Å; F886-M888 PolarHBondContact O-N 2.89Å; M888-I892 WeakPolarHBondContact O-CD1 3.45Å
889H87.5Confident90.5Very high25 Ų2533.2 Ų33.212%0.11617%0.172CC..THydrogen-bonded Turntrans-126.1-56.1-173.5-178.868000112.5Q803 H808 H885 Q891 I892 K893Q803-H889 PolarHBondContact OE1-ND1 3.18Å; H808-H889 AromaticContact CD2-CE1 3.75Å; H885-H889 AromaticContact CE1-CD2 3.85Å; H885-H889 AromaticContact NE2-CD2 3.51Å; H885-H889 WeakPolarHBondContact O-CB 3.44Å; H885-H889 PolarHBondContact O-N 3.47Å; H889-Q891 PolarHBondContact O-N 3.13Å; H889-I892 CarbonylContact O-C 3.53Å; H889-I892 PolarHBondContact O-N 3.32Å; H889-K893 WeakPolarHBondContact O-CA 3.41Å; H889-K893 PolarHBondContact O-N 2.71Å
890T89.6Confident90.8Very high61 Ų6133 Ų3337%0.37417%0.172SC..G310 helixtrans-60.5-45.2-167.3-52.70000112.3H885 F886 I892 K893H885-T890 PolarHBondContact CE1-OG1 2.85Å; H885-T890 PolarHBondContact ND1-OG1 3.18Å; H885-T890 PolarHBondContact O-N 3.18Å; H885-T890 VanDerWaalsContact O-N 3.1Å; H885-T890 PolarHBondContact O-OG1 3.22Å; F886-T890 HydrophobicContact CD2-CG2 3.89Å; F886-T890 HydrophobicContact CE2-CG2 4.25Å; F886-T890 PolarHBondContact O-N 2.93Å; F886-T890 VanDerWaalsContact O-N 3.15Å; T890-I892 VanDerWaalsContact C-N 3.29Å; T890-I892 PolarHBondContact O-N 3.27Å; T890-K893 WeakPolarHBondContact O-CB 3.25Å; T890-K893 PolarHBondContact O-N 3.42Å
891Q89.5Confident91.1Very high25 Ų2535.7 Ų35.712%0.11719%0.192CC..G310 helixtrans-69.6-21.6-177.369.2178.68.100114.3P763 F886 R887 H889P763-Q891 HydrophobicContact CB-CB 4.42Å; P763-Q891 HydrophobicContact CB-CG 4.31Å; P763-Q891 HydrophobicContact CG-CG 4.1Å; F886-Q891 HydrophobicContact CE1-CB 4.28Å; F886-Q891 HydrophobicContact CZ-CB 4.19Å; F886-Q891 WeakPolarHBondContact O-CG 3.23Å; F886-Q891 PolarHBondContact O-N 3.41Å; R887-Q891 VanDerWaalsContact O-CD 3.3Å; R887-Q891 WeakPolarHBondContact O-CG 3.46Å; R887-Q891 PolarHBondContact O-NE2 3.1Å; H889-Q891 PolarHBondContact O-N 3.13Å
892I92.2Very high91.5Very high1 Ų132 Ų321%0.00518%0.175CC..G310 helixtrans-112.18.8179.361.3170.5000113.3P761 P763 F799 M888 H889 T890 N894 Q895 T896P761-I892 HydrophobicContact CB-CB 4.33Å; P761-I892 HydrophobicContact CB-CG2 4.33Å; P761-I892 VanDerWaalsContact O-CG2 3.29Å; P761-I892 WeakPolarHBondContact O-CG2 3.27Å; P763-I892 HydrophobicContact CG-CG2 3.99Å; F799-I892 HydrophobicContact CE2-CD1 4.03Å; M888-I892 WeakPolarHBondContact O-CD1 3.45Å; H889-I892 CarbonylContact O-C 3.53Å; H889-I892 PolarHBondContact O-N 3.32Å; T890-I892 VanDerWaalsContact C-N 3.29Å; T890-I892 PolarHBondContact O-N 3.27Å; I892-N894 VanDerWaalsContact C-N 3.34Å; I892-N894 PolarHBondContact O-N 3.24Å; I892-Q895 PolarHBondContact O-N 3.3Å; I892-Q895 PolarHBondContact O-OE1 3.19Å; I892-T896 WeakPolarHBondContact O-CB 3.1Å; I892-T896 PolarHBondContact O-N 3.11Å; I892-T896 PolarHBondContact O-OG1 3.33Å
893K92.1Very high91.9Very high117 Ų11729.6 Ų29.651%0.50916%0.162SC..Hα-helixtrans-55.8-46.1-167.3179.9178.2177.2179.30112.8H889 T890 A897H889-K893 WeakPolarHBondContact O-CA 3.41Å; H889-K893 PolarHBondContact O-N 2.71Å; T890-K893 WeakPolarHBondContact O-CB 3.25Å; T890-K893 PolarHBondContact O-N 3.42Å; K893-A897 VanDerWaalsContact O-CB 3.23Å; K893-A897 WeakPolarHBondContact O-CB 3.31Å; K893-A897 PolarHBondContact O-N 3.26Å
894N94.3Very high92Very high94 Ų9433.9 Ų33.950%0.50318%0.178SC..Hα-helixtrans-71.2-41.6-175.3-64.4-27.2000111.4L772 I892 A897 A898L772-N894 HydrophobicContact CD2-CB 3.74Å; I892-N894 VanDerWaalsContact C-N 3.34Å; I892-N894 PolarHBondContact O-N 3.24Å; N894-A897 PolarHBondContact O-N 3.05Å; N894-A898 WeakPolarHBondContact O-CB 3.38Å; N894-A898 PolarHBondContact O-N 2.77Å
895Q94.8Very high92.2Very high8 Ų835.4 Ų35.44%0.03719%0.189CC..Hα-helixtrans-61.5-51177-63.184.7-2000110.8P761 S765 Y771 F775 I892 A897 A898 L899P761-Q895 HydrophobicContact CB-CB 3.88Å; S765-Q895 WeakPolarHBondContact OG-CG 3.25Å; S765-Q895 PolarHBondContact OG-NE2 3.1Å; Y771-Q895 HydrophobicContact CD2-CG 4.05Å; Y771-Q895 HydrophobicContact CE2-CG 3.99Å; F775-Q895 HydrophobicContact CD1-CB 4.39Å; F775-Q895 HydrophobicContact CD2-CB 3.77Å; F775-Q895 HydrophobicContact CD2-CG 3.82Å; F775-Q895 HydrophobicContact CE1-CB 4.18Å; F775-Q895 HydrophobicContact CE2-CB 3.56Å; F775-Q895 HydrophobicContact CE2-CG 3.29Å; F775-Q895 HydrophobicContact CG-CB 4.19Å; F775-Q895 HydrophobicContact CZ-CB 3.75Å; F775-Q895 HydrophobicContact CZ-CG 3.74Å; I892-Q895 PolarHBondContact O-N 3.3Å; I892-Q895 PolarHBondContact O-OE1 3.19Å; Q895-A897 PolarHBondContact O-N 3.21Å; Q895-A898 PolarHBondContact O-N 3.32Å; Q895-L899 PolarHBondContact O-N 2.69Å
896T94.1Very high92.5Very high4 Ų431.6 Ų31.63%0.02517%0.171CC..Hα-helixtrans-62.6-42.8178.8-61.20000111.2F800 Q803 I892 A898 L899 I900F800-T896 HydrophobicContact CD2-CG2 4.5Å; F800-T896 HydrophobicContact CE2-CG2 4.13Å; Q803-T896 HydrophobicContact CB-CG2 3.99Å; I892-T896 WeakPolarHBondContact O-CB 3.1Å; I892-T896 PolarHBondContact O-N 3.11Å; I892-T896 PolarHBondContact O-OG1 3.33Å; T896-A898 PolarHBondContact O-N 2.95Å; T896-L899 PolarHBondContact O-N 2.78Å; T896-I900 HydrophobicContact CG2-CD1 3.56Å; T896-I900 HydrophobicContact CG2-CG1 4.18Å; T896-I900 VanDerWaalsContact O-CB 3.32Å; T896-I900 WeakPolarHBondContact O-CB 3.27Å; T896-I900 WeakPolarHBondContact O-CG1 3.38Å; T896-I900 PolarHBondContact O-N 2.64Å
897A94.4Very high92.6Very high56 Ų5630.8 Ų30.846%0.46317%0.167SC..Hα-helixtrans-61.9-42.5177.100000112.5K893 N894 Q895 I900 S901K893-A897 VanDerWaalsContact O-CB 3.23Å; K893-A897 WeakPolarHBondContact O-CB 3.31Å; K893-A897 PolarHBondContact O-N 3.26Å; N894-A897 PolarHBondContact O-N 3.05Å; Q895-A897 PolarHBondContact O-N 3.21Å; A897-I900 PolarHBondContact O-N 3.29Å; A897-S901 WeakPolarHBondContact O-CB 3.33Å; A897-S901 PolarHBondContact O-N 2.95Å
898A95.6Very high92.7Very high15 Ų1533.1 Ų33.112%0.12418%0.178CC..Hα-helixtrans-63.8-46.4177.200000111.8L772 F775 E776 N894 Q895 T896 S901 G902L772-A898 HydrophobicContact CB-CB 4.39Å; L772-A898 HydrophobicContact CD2-CB 4.4Å; L772-A898 VanDerWaalsContact O-CB 3.31Å; L772-A898 WeakPolarHBondContact O-CB 3.43Å; F775-A898 HydrophobicContact CB-CB 3.96Å; E776-A898 VanDerWaalsContact CA-O 3.3Å; E776-A898 WeakPolarHBondContact CA-O 3.39Å; N894-A898 WeakPolarHBondContact O-CB 3.38Å; N894-A898 PolarHBondContact O-N 2.77Å; Q895-A898 PolarHBondContact O-N 3.32Å; T896-A898 PolarHBondContact O-N 2.95Å; A898-S901 WeakPolarHBondContact O-CB 3.45Å; A898-S901 PolarHBondContact O-N 3.39Å; A898-G902 PolarHBondContact O-N 3.23Å
899L95.4Very high92.9Very high0 Ų034.6 Ų34.60%019%0.188CC..Hα-helixtrans-62.2-45176.4-175.1148.6000112.2F750 F775 V778 G779 F800 L804 Q895 T896 S901 G902 F903F750-L899 HydrophobicContact CE1-CD1 4.12Å; F750-L899 HydrophobicContact CZ-CD1 3.71Å; F775-L899 HydrophobicContact CB-CB 4.23Å; F775-L899 HydrophobicContact CD1-CB 4.37Å; F775-L899 HydrophobicContact CD1-CD1 4.13Å; F775-L899 WeakPolarHBondContact O-CA 3.45Å; V778-L899 HydrophobicContact CG1-CD1 4.28Å; G779-L899 WeakPolarHBondContact CA-O 3.17Å; F800-L899 HydrophobicContact CZ-CD1 3.97Å; F800-L899 HydrophobicContact CZ-CD2 3.89Å; F800-L899 HydrophobicContact CZ-CG 4.5Å; L804-L899 HydrophobicContact CD1-CD2 4.02Å; Q895-L899 PolarHBondContact O-N 2.69Å; T896-L899 PolarHBondContact O-N 2.78Å; L899-S901 VanDerWaalsContact C-N 3.29Å; L899-S901 PolarHBondContact O-N 2.95Å; L899-G902 PolarHBondContact O-N 3Å; L899-F903 WeakPolarHBondContact O-CB 3.41Å; L899-F903 PolarHBondContact O-N 2.82Å
900I94.1Very high92.9Very high13 Ų1338.9 Ų38.97%0.06721%0.208CC..Hα-helixtrans-60.4-41.6176.3-72.1173.6000110.6Q803 L804 T896 A897 F903 R904Q803-I900 WeakPolarHBondContact O-CD1 3.45Å; L804-I900 HydrophobicContact CD1-CG1 3.86Å; T896-I900 HydrophobicContact CG2-CD1 3.56Å; T896-I900 HydrophobicContact CG2-CG1 4.18Å; T896-I900 VanDerWaalsContact O-CB 3.32Å; T896-I900 WeakPolarHBondContact O-CB 3.27Å; T896-I900 WeakPolarHBondContact O-CG1 3.38Å; T896-I900 PolarHBondContact O-N 2.64Å; A897-I900 PolarHBondContact O-N 3.29Å; I900-F903 PolarHBondContact O-N 2.8Å; I900-R904 HydrophobicContact CG2-CG 4.08Å; I900-R904 VanDerWaalsContact CG2-CZ 3.41Å; I900-R904 VanDerWaalsContact CG2-NE 3.25Å; I900-R904 VanDerWaalsContact O-CB 3.27Å; I900-R904 WeakPolarHBondContact O-CB 3.4Å; I900-R904 VanDerWaalsContact O-CG 3.24Å; I900-R904 WeakPolarHBondContact O-CG 3.27Å; I900-R904 PolarHBondContact O-N 3.48Å
901S94.1Very high93Very high68 Ų6837 Ų3748%0.47619%0.194SC..Hα-helixtrans-58.2-48.3176.1-175.10000111.2A897 A898 L899 R904 S905A897-S901 WeakPolarHBondContact O-CB 3.33Å; A897-S901 PolarHBondContact O-N 2.95Å; A898-S901 WeakPolarHBondContact O-CB 3.45Å; A898-S901 PolarHBondContact O-N 3.39Å; L899-S901 VanDerWaalsContact C-N 3.29Å; L899-S901 PolarHBondContact O-N 2.95Å; S901-R904 PolarHBondContact O-N 3.16Å; S901-S905 PolarHBondContact O-N 3.21Å
902G93.8Very high93.1Very high0 Ų035.8 Ų35.80%019%0.189CC..Hα-helixtrans-59.9-48.3175.600000113.2E776 G779 K780 A898 L899 R904 S905E776-G902 WeakPolarHBondContact O-CA 3.32Å; G779-G902 VanDerWaalsContact C-C 3.49Å; K780-G902 WeakPolarHBondContact CG-O 3.49Å; A898-G902 PolarHBondContact O-N 3.23Å; L899-G902 PolarHBondContact O-N 3Å; G902-R904 PolarHBondContact O-N 3.05Å; G902-S905 WeakPolarHBondContact O-CB 3.48Å; G902-S905 PolarHBondContact O-N 3.24Å; G902-S905 PolarHBondContact O-OG 2.89Å
903F94.4Very high92.8Very high0 Ų042 Ų420%021%0.212CC..Hα-helixtrans-62.1-45.2179.4-174.3-93000112.2G779 L782 V786 L804 L899 I900 S905 I906 I907 I912G779-F903 VanDerWaalsContact C-N 3.35Å; G779-F903 WeakPolarHBondContact O-CA 3.31Å; G779-F903 PolarHBondContact O-N 3.4Å; L782-F903 HydrophobicContact CB-CD2 4.3Å; L782-F903 HydrophobicContact CD2-CD2 4.3Å; L782-F903 HydrophobicContact CD2-CE2 4.44Å; L782-F903 HydrophobicContact CG-CD2 4.18Å; L782-F903 HydrophobicContact CG-CE2 4.16Å; V786-F903 HydrophobicContact CG2-CE2 4.26Å; L804-F903 HydrophobicContact CD1-CB 4.08Å; L804-F903 HydrophobicContact CD1-CD1 3.86Å; L804-F903 HydrophobicContact CD1-CE1 4.45Å; L804-F903 HydrophobicContact CD1-CG 3.91Å; L804-F903 HydrophobicContact CG-CD1 4.45Å; L899-F903 WeakPolarHBondContact O-CB 3.41Å; L899-F903 PolarHBondContact O-N 2.82Å; I900-F903 PolarHBondContact O-N 2.8Å; F903-S905 VanDerWaalsContact C-N 3.25Å; F903-S905 PolarHBondContact O-N 3.25Å; F903-I906 PolarHBondContact O-N 3.32Å; F903-I906 VanDerWaalsContact O-N 3.08Å; F903-I907 HydrophobicContact CD1-CB 4.28Å; F903-I907 HydrophobicContact CE1-CB 3.81Å; F903-I907 HydrophobicContact CE1-CG1 4.12Å; F903-I907 HydrophobicContact CE1-CG2 4.01Å; F903-I907 HydrophobicContact CE2-CG1 4.34Å; F903-I907 HydrophobicContact CZ-CB 4.14Å; F903-I907 HydrophobicContact CZ-CG1 3.94Å; F903-I907 HydrophobicContact CZ-CG2 4.35Å; F903-I907 PolarHBondContact O-N 3.47Å; F903-I912 HydrophobicContact CE1-CD1 4.1Å; F903-I912 HydrophobicContact CE1-CG2 4.15Å; F903-I912 HydrophobicContact CZ-CG2 4.5Å
904R92.8Very high92.8Very high94 Ų9436.6 Ų36.636%0.35519%0.189SC..Hα-helixtrans-69.3-21.4179.3-71.4-179.6-179.5173.96.5113.6I900 S901 G902 I906 I907 P909I900-R904 HydrophobicContact CG2-CG 4.08Å; I900-R904 VanDerWaalsContact CG2-CZ 3.41Å; I900-R904 VanDerWaalsContact CG2-NE 3.25Å; I900-R904 VanDerWaalsContact O-CB 3.27Å; I900-R904 WeakPolarHBondContact O-CB 3.4Å; I900-R904 VanDerWaalsContact O-CG 3.24Å; I900-R904 WeakPolarHBondContact O-CG 3.27Å; I900-R904 PolarHBondContact O-N 3.48Å; S901-R904 PolarHBondContact O-N 3.16Å; G902-R904 PolarHBondContact O-N 3.05Å; R904-I906 PolarHBondContact O-N 3.22Å; R904-I907 VanDerWaalsContact CA-O 3.31Å; R904-I907 WeakPolarHBondContact CA-O 3.33Å; R904-P909 HydrophobicContact CG-CG 4.11Å
905S92.8Very high92.7Very high31 Ų3132.3 Ų32.322%0.21717%0.166CC..Hα-helixtrans-64.4-24.1171.681.70000111.9Q703 K780 S901 G902 F903Q703-S905 VanDerWaalsContact CD-O 3.29Å; Q703-S905 VanDerWaalsContact CG-O 3.22Å; Q703-S905 WeakPolarHBondContact CG-O 3.36Å; Q703-S905 PolarHBondContact NE2-O 3.47Å; K780-S905 WeakPolarHBondContact CG-OG 3.31Å; S901-S905 PolarHBondContact O-N 3.21Å; G902-S905 WeakPolarHBondContact O-CB 3.48Å; G902-S905 PolarHBondContact O-N 3.24Å; G902-S905 PolarHBondContact O-OG 2.89Å; F903-S905 VanDerWaalsContact C-N 3.25Å; F903-S905 PolarHBondContact O-N 3.25Å
906I93.9Very high92.4Very high1 Ų132.6 Ų32.61%0.00517%0.169CC..Hα-helixtrans-103-50.9176.9-51.6-56000110.9M706 K707 Y787 F903 R904M706-I906 HydrophobicContact CB-CD1 4.07Å; M706-I906 HydrophobicContact CG-CD1 3.47Å; M706-I906 VanDerWaalsContact CG-CD1 3.47Å; K707-I906 WeakPolarHBondContact CE-O 3.44Å; K707-I906 HydrophobicContact CG-CD1 4.39Å; K707-I906 HydrophobicContact CG-CG2 4.37Å; K707-I906 PolarHBondContact NZ-O 2.95Å; Y787-I906 HydrophobicContact CD2-CG2 4.19Å; Y787-I906 HydrophobicContact CG-CG2 3.93Å; F903-I906 PolarHBondContact O-N 3.32Å; F903-I906 VanDerWaalsContact O-N 3.08Å; R904-I906 PolarHBondContact O-N 3.22Å
907I94.2Very high92.2Very high0 Ų032.9 Ų32.90%017%0.172CC..SBendtrans-99.9126.8-174.6-57.6-59.5000110.8F657 G783 V786 Y787 F903 R904 W911 I912F657-I907 HydrophobicContact CE2-CG2 4.35Å; F657-I907 HydrophobicContact CZ-CD1 4.23Å; G783-I907 WeakPolarHBondContact O-CD1 3.34Å; V786-I907 HydrophobicContact CB-CD1 4.36Å; V786-I907 HydrophobicContact CB-CG1 4.47Å; V786-I907 HydrophobicContact CG1-CD1 4.12Å; V786-I907 HydrophobicContact CG1-CG1 4.38Å; Y787-I907 HydrophobicContact CD2-CD1 3.98Å; Y787-I907 HydrophobicContact CG-CD1 4.4Å; F903-I907 HydrophobicContact CD1-CB 4.28Å; F903-I907 HydrophobicContact CE1-CB 3.81Å; F903-I907 HydrophobicContact CE1-CG1 4.12Å; F903-I907 HydrophobicContact CE1-CG2 4.01Å; F903-I907 HydrophobicContact CE2-CG1 4.34Å; F903-I907 HydrophobicContact CZ-CB 4.14Å; F903-I907 HydrophobicContact CZ-CG1 3.94Å; F903-I907 HydrophobicContact CZ-CG2 4.35Å; F903-I907 PolarHBondContact O-N 3.47Å; R904-I907 VanDerWaalsContact CA-O 3.31Å; R904-I907 WeakPolarHBondContact CA-O 3.33Å; I907-W911 HydrophobicContact CG2-CE3 4.46Å; I907-I912 HydrophobicContact CG2-CG2 3.46Å; I907-I912 VanDerWaalsContact CG2-CG2 3.46Å
908K91.6Very high91.9Very high82 Ų8233 Ų3336%0.35717%0.167SC..  trans-68.7134.8176.5-68.7-173.6-177143.80111.7E664 E910 W911E664-K908 WeakPolarHBondContact OE1-CE 3.36Å; E664-K908 IonicContact OE1-NZ 2.64Å; E664-K908 PolarHBondContact OE1-NZ 2.89Å; K908-E910 WeakPolarHBondContact CB-OE2 3.41Å; K908-E910 PolarHBondContact O-N 3.47Å; K908-W911 HydrophobicContact CB-CD2 3.76Å; K908-W911 HydrophobicContact CB-CE3 4.1Å; K908-W911 HydrophobicContact CB-CG 4.03Å; K908-W911 HydrophobicContact CB-CZ2 4.46Å; K908-W911 HydrophobicContact CD-CH2 4.26Å; K908-W911 HydrophobicContact CD-CZ2 3.74Å; K908-W911 HydrophobicContact CG-CD2 4.37Å; K908-W911 HydrophobicContact CG-CH2 4.38Å; K908-W911 HydrophobicContact CG-CZ2 4.23Å; K908-W911 HydrophobicContact CG-CZ3 4.5Å; K908-W911 WeakPolarHBondContact O-CB 2.95Å; K908-W911 PolarHBondContact O-N 2.9Å; K908-W911 VanDerWaalsContact O-N 3.1Å
909P89.5Confident91.7Very high32 Ų3233 Ų3321%0.20817%0.165CC..Hα-helixtrans-56.1-34179.6-26.434.9000114.1R904 W911 I912 R913R904-P909 HydrophobicContact CG-CG 4.11Å; P909-W911 PolarHBondContact O-N 2.94Å; P909-I912 WeakPolarHBondContact O-CG1 3.38Å; P909-I912 PolarHBondContact O-N 2.8Å; P909-R913 VanDerWaalsContact O-CG 3.32Å; P909-R913 WeakPolarHBondContact O-CG 3.32Å; P909-R913 PolarHBondContact O-N 3.11Å
910E88.3Confident91.5Very high114 Ų11433 Ų3353%0.53317%0.165SC..Hα-helixtrans-64.3-28.7-178.9-58.974-157.900112.1K908K908-E910 WeakPolarHBondContact CB-OE2 3.41Å; K908-E910 PolarHBondContact O-N 3.47Å
911W91.2Very high91.4Very high21 Ų2133.1 Ų33.18%0.0817%0.165CC..Hα-helixtrans-76.8-37.7-178.5-60.7-12.2000112.2F657 M660 V661 E664 Y787 I907 K908 P909 M914F657-W911 HydrophobicContact CD2-CB 3.85Å; F657-W911 HydrophobicContact CE2-CB 3.93Å; F657-W911 HydrophobicContact CE2-CE3 4.15Å; M660-W911 HydrophobicContact CB-CD2 4.4Å; M660-W911 HydrophobicContact CB-CZ2 4.12Å; M660-W911 HydrophobicContact SD-CG 4.19Å; V661-W911 HydrophobicContact CG2-CE3 4.07Å; V661-W911 HydrophobicContact CG2-CH2 4.37Å; V661-W911 HydrophobicContact CG2-CZ3 3.71Å; E664-W911 HydrophobicContact CB-CH2 3.87Å; E664-W911 HydrophobicContact CB-CZ2 4.35Å; E664-W911 HydrophobicContact CG-CH2 4.32Å; E664-W911 WeakPolarHBondContact OE2-CH2 3.44Å; Y787-W911 HydrophobicContact CE2-CZ3 4.33Å; I907-W911 HydrophobicContact CG2-CE3 4.46Å; K908-W911 HydrophobicContact CB-CD2 3.76Å; K908-W911 HydrophobicContact CB-CE3 4.1Å; K908-W911 HydrophobicContact CB-CG 4.03Å; K908-W911 HydrophobicContact CB-CZ2 4.46Å; K908-W911 HydrophobicContact CD-CH2 4.26Å; K908-W911 HydrophobicContact CD-CZ2 3.74Å; K908-W911 HydrophobicContact CG-CD2 4.37Å; K908-W911 HydrophobicContact CG-CH2 4.38Å; K908-W911 HydrophobicContact CG-CZ2 4.23Å; K908-W911 HydrophobicContact CG-CZ3 4.5Å; K908-W911 WeakPolarHBondContact O-CB 2.95Å; K908-W911 PolarHBondContact O-N 2.9Å; K908-W911 VanDerWaalsContact O-N 3.1Å; P909-W911 PolarHBondContact O-N 2.94Å; W911-M914 WeakPolarHBondContact O-CE 3.39Å
912I90.9Very high91.2Very high0 Ų033.3 Ų33.30%016%0.155CC..Hα-helixtrans-80.5-26-178.358.3171.4000112.7L805 F903 I907 P909 M914 F915L805-I912 HydrophobicContact CD2-CB 3.99Å; L805-I912 HydrophobicContact CD2-CD1 4.37Å; L805-I912 HydrophobicContact CD2-CG1 4.26Å; L805-I912 VanDerWaalsContact CD2-O 3.26Å; L805-I912 WeakPolarHBondContact CD2-O 3.27Å; F903-I912 HydrophobicContact CE1-CD1 4.1Å; F903-I912 HydrophobicContact CE1-CG2 4.15Å; F903-I912 HydrophobicContact CZ-CG2 4.5Å; I907-I912 HydrophobicContact CG2-CG2 3.46Å; I907-I912 VanDerWaalsContact CG2-CG2 3.46Å; P909-I912 WeakPolarHBondContact O-CG1 3.38Å; P909-I912 PolarHBondContact O-N 2.8Å; I912-M914 PolarHBondContact O-N 3.03Å; I912-F915 PolarHBondContact O-N 3.39Å
913R87.6Confident91Very high131 Ų13133.5 Ų33.549%0.49416%0.156SC..THydrogen-bonded Turntrans-58.7-16.4175.7-80.4174.3176.3179.6-0.9114P909 F915P909-R913 VanDerWaalsContact O-CG 3.32Å; P909-R913 WeakPolarHBondContact O-CG 3.32Å; P909-R913 PolarHBondContact O-N 3.11Å; R913-F915 PolarHBondContact O-N 2.97Å
914M90.9Very high90.8Very high5 Ų533.5 Ų33.53%0.02516%0.156CC..THydrogen-bonded Turntrans-68.8-18.4174.1-65.3-171.7-69.900112.8L641 P645 R653 F657 M660 W911 I912L641-M914 HydrophobicContact CD1-SD 4.21Å; L641-M914 HydrophobicContact CD2-CG 4.39Å; L641-M914 HydrophobicContact CD2-SD 3.81Å; L641-M914 HydrophobicContact CG-SD 4.46Å; P645-M914 HydrophobicContact CB-CB 4.23Å; P645-M914 WeakPolarHBondContact CB-O 3.33Å; R653-M914 WeakPolarHBondContact CD-O 3.34Å; R653-M914 PolarHBondContact NH1-O 3.45Å; F657-M914 HydrophobicContact CB-CE 4.15Å; M660-M914 HydrophobicContact CE-CE 4.31Å; M660-M914 HydrophobicContact CE-SD 4.35Å; M660-M914 HydrophobicContact SD-CE 4.24Å; W911-M914 WeakPolarHBondContact O-CE 3.39Å; I912-M914 PolarHBondContact O-N 3.03Å
915F91.8Very high90.4Very high3 Ų329.2 Ų29.21%0.01314%0.14CC..SBendtrans-112.5142.1-170.9-55.7-76.6000111.9R653 V654 F657 I912 R913 E919 L923R653-F915 HydrophobicContact CB-CE1 3.86Å; R653-F915 HydrophobicContact CB-CZ 4.28Å; V654-F915 HydrophobicContact CG2-CE1 3.83Å; V654-F915 HydrophobicContact CG2-CZ 4.32Å; F657-F915 HydrophobicContact CB-CE2 4.17Å; F657-F915 HydrophobicContact CB-CZ 3.96Å; F657-F915 HydrophobicContact CD2-CE2 4.21Å; F657-F915 HydrophobicContact CG-CE2 4.31Å; F657-F915 HydrophobicContact CG-CZ 4.44Å; I912-F915 PolarHBondContact O-N 3.39Å; R913-F915 PolarHBondContact O-N 2.97Å; F915-E919 WeakPolarHBondContact CA-OE2 3.08Å; F915-E919 HydrophobicContact CB-CB 3.86Å; F915-E919 HydrophobicContact CD1-CB 4.17Å; F915-E919 HydrophobicContact CG-CB 4.49Å; F915-L923 HydrophobicContact CD2-CD2 4.2Å; F915-L923 HydrophobicContact CE2-CD2 3.95Å; F915-L923 HydrophobicContact CZ-CD2 4.38Å
916S89.8Confident89.9Confident15 Ų1527.7 Ų27.711%0.10513%0.13CC..  trans-74.5168.6166.568.20000111.7E919 L920S916-E919 PolarHBondContact N-OE2 3.33Å; S916-E919 CarbonylContact O-C 3.51Å; S916-E919 WeakPolarHBondContact O-CB 3.45Å; S916-E919 PolarHBondContact O-N 3.49Å; S916-E919 VanDerWaalsContact OG-CG 3.31Å; S916-E919 WeakPolarHBondContact OG-CG 2.97Å; S916-E919 PolarHBondContact OG-OE2 3.42Å; S916-L920 PolarHBondContact O-N 2.84Å
917A89.1Confident89.1Confident10 Ų1029.8 Ų29.88%0.08314%0.141CC..Hα-helixtrans-55.7-47.3179.200000113.4L801 L805 E919 L920 Q921L801-A917 HydrophobicContact CB-CB 3.88Å; L801-A917 WeakPolarHBondContact CD1-O 3.27Å; L805-A917 HydrophobicContact CD1-CB 4.35Å; A917-E919 VanDerWaalsContact C-N 3.27Å; A917-E919 PolarHBondContact O-N 3.27Å; A917-L920 PolarHBondContact O-N 3.4Å; A917-Q921 PolarHBondContact O-N 3.08Å
918P88.7Confident88Confident57 Ų5735.3 Ų35.337%0.3717%0.171SC..Hα-helixtrans-62.5-30.9173.8-23.733.9000114.1R922P918-R922 PolarHBondContact O-N 3.08Å
919E91Very high87.1Confident15 Ų1533.9 Ų33.97%0.0717%0.174CC..Hα-helixtrans-74.6-38.8177.1-70.8175.5155.100112.4H650 R653 F915 S916 A917 Q921 R922 L923H650-E919 IonicContact CD2-OE1 3.85Å; R653-E919 IonicContact CZ-OE1 3.39Å; R653-E919 IonicContact CZ-OE2 3.47Å; R653-E919 IonicContact NH1-OE1 3.72Å; R653-E919 IonicContact NH1-OE2 2.83Å; R653-E919 PolarHBondContact NH1-OE2 3.4Å; R653-E919 VanDerWaalsContact NH2-CD 3.26Å; R653-E919 IonicContact NH2-OE1 3.59Å; R653-E919 PolarHBondContact NH2-OE1 2.99Å; R653-E919 IonicContact NH2-OE2 3.39Å; R653-E919 PolarHBondContact NH2-OE2 3.1Å; R653-E919 VanDerWaalsContact NH2-OE2 3.15Å; F915-E919 WeakPolarHBondContact CA-OE2 3.08Å; F915-E919 HydrophobicContact CB-CB 3.86Å; F915-E919 HydrophobicContact CD1-CB 4.17Å; F915-E919 HydrophobicContact CG-CB 4.49Å; S916-E919 PolarHBondContact N-OE2 3.33Å; S916-E919 CarbonylContact O-C 3.51Å; S916-E919 WeakPolarHBondContact O-CB 3.45Å; S916-E919 PolarHBondContact O-N 3.49Å; S916-E919 VanDerWaalsContact OG-CG 3.31Å; S916-E919 WeakPolarHBondContact OG-CG 2.97Å; S916-E919 PolarHBondContact OG-OE2 3.42Å; A917-E919 VanDerWaalsContact C-N 3.27Å; A917-E919 PolarHBondContact O-N 3.27Å; E919-Q921 VanDerWaalsContact C-N 3.32Å; E919-Q921 PolarHBondContact O-N 3.12Å; E919-R922 VanDerWaalsContact CG-NH2 3.32Å; E919-R922 WeakPolarHBondContact O-CB 3.47Å; E919-R922 PolarHBondContact O-N 3.17Å; E919-R922 IonicContact OE1-NH2 2.87Å; E919-L923 PolarHBondContact O-N 2.87Å
920L91.7Very high86.6Confident0 Ų038.9 Ų38.90%020%0.195CC..Hα-helixtrans-63.2-40.2172.6-179.461000111L801 L804 L805 S916 A917 R922 L923 I924L801-L920 HydrophobicContact CD2-CD2 4.18Å; L801-L920 HydrophobicContact CD2-CG 4.39Å; L804-L920 HydrophobicContact CD2-CD2 3.98Å; L804-L920 HydrophobicContact CG-CD2 4.3Å; L805-L920 HydrophobicContact CD1-CB 4.5Å; L805-L920 HydrophobicContact CD1-CD2 4.3Å; L805-L920 HydrophobicContact CD2-CB 4.49Å; L805-L920 HydrophobicContact CD2-CD2 3.76Å; L805-L920 HydrophobicContact CG-CD2 3.72Å; S916-L920 PolarHBondContact O-N 2.84Å; A917-L920 PolarHBondContact O-N 3.4Å; L920-R922 VanDerWaalsContact C-N 3.28Å; L920-R922 PolarHBondContact O-N 3.22Å; L920-L923 HydrophobicContact CD1-CD2 4.21Å; L920-L923 WeakPolarHBondContact O-CB 3.31Å; L920-L923 PolarHBondContact O-N 3Å; L920-L923 VanDerWaalsContact O-N 3.1Å; L920-I924 HydrophobicContact CD1-CD1 4.27Å; L920-I924 HydrophobicContact CD1-CG1 4.41Å; L920-I924 HydrophobicContact CG-CD1 4.04Å; L920-I924 WeakPolarHBondContact O-CG1 3.47Å; L920-I924 PolarHBondContact O-N 2.97Å
921Q91.1Very high86.3Confident16 Ų1634.3 Ų34.38%0.07517%0.174CC..Hα-helixtrans-56.9-43.9172.6-177.162.765.300111.4V794 L801 A917 E919 L923 I924 S925V794-Q921 PolarHBondContact O-NE2 3.07Å; L801-Q921 HydrophobicContact CD1-CB 3.73Å; L801-Q921 HydrophobicContact CD1-CG 4.46Å; A917-Q921 PolarHBondContact O-N 3.08Å; E919-Q921 VanDerWaalsContact C-N 3.32Å; E919-Q921 PolarHBondContact O-N 3.12Å; Q921-L923 VanDerWaalsContact C-N 3.34Å; Q921-I924 PolarHBondContact O-N 2.82Å; Q921-S925 PolarHBondContact NE2-OG 3.22Å; Q921-S925 PolarHBondContact O-N 3.46Å
922R89.6Confident86.1Confident73 Ų7337.7 Ų37.728%0.27519%0.194SC..Hα-helixtrans-64.6-36.9175.7-78.5-170.2-68.5177-5.1112.3P918 E919 L920 I924 G926 L984P918-R922 PolarHBondContact O-N 3.08Å; E919-R922 VanDerWaalsContact CG-NH2 3.32Å; E919-R922 WeakPolarHBondContact O-CB 3.47Å; E919-R922 PolarHBondContact O-N 3.17Å; E919-R922 IonicContact OE1-NH2 2.87Å; L920-R922 VanDerWaalsContact C-N 3.28Å; L920-R922 PolarHBondContact O-N 3.22Å; R922-I924 VanDerWaalsContact C-N 3.3Å; R922-I924 PolarHBondContact O-N 3.14Å; R922-G926 WeakPolarHBondContact CA-O 3.48Å; R922-G926 CarbonylContact O-C 3.6Å; R922-G926 VanDerWaalsContact O-CA 3.3Å; R922-G926 WeakPolarHBondContact O-CA 3.04Å; R922-G926 PolarHBondContact O-N 3.45Å; R922-L984 HydrophobicContact CB-CD1 4.48Å; R922-L984 HydrophobicContact CB-CD2 3.93Å; R922-L984 WeakPolarHBondContact O-CD1 3.34Å
923L90.1Very high86Confident3 Ų338.6 Ų38.62%0.01620%0.198CC..Hα-helixtrans-64.9-35.3175.9-173.765.2000112.3V654 F657 V786 F915 E919 L920 Q921 L984V654-L923 HydrophobicContact CG1-CD1 4.33Å; F657-L923 HydrophobicContact CD1-CD1 4.32Å; F657-L923 HydrophobicContact CE1-CD1 4.48Å; F657-L923 HydrophobicContact CE1-CD2 4.41Å; F657-L923 HydrophobicContact CZ-CD2 4.48Å; V786-L923 HydrophobicContact CG1-CD2 4.1Å; V786-L923 HydrophobicContact CG1-CG 4.3Å; F915-L923 HydrophobicContact CD2-CD2 4.2Å; F915-L923 HydrophobicContact CE2-CD2 3.95Å; F915-L923 HydrophobicContact CZ-CD2 4.38Å; E919-L923 PolarHBondContact O-N 2.87Å; L920-L923 HydrophobicContact CD1-CD2 4.21Å; L920-L923 WeakPolarHBondContact O-CB 3.31Å; L920-L923 PolarHBondContact O-N 3Å; L920-L923 VanDerWaalsContact O-N 3.1Å; Q921-L923 VanDerWaalsContact C-N 3.34Å; L923-L984 HydrophobicContact CB-CD1 4.39Å; L923-L984 HydrophobicContact CD1-CD1 4.15Å
924I89.6Confident86.1Confident1 Ų138.3 Ų38.31%0.00520%0.202CC..Hα-helixtrans-77.6-47.4178.2-66.8167.9000111.1L782 V786 V791 V792 F796 L801 L920 Q921 R922L782-I924 HydrophobicContact CD1-CG2 3.9Å; V786-I924 HydrophobicContact CG2-CG1 3.9Å; V791-I924 CarbonylContact C-O 3.44Å; V791-I924 VanDerWaalsContact CA-O 3.29Å; V791-I924 WeakPolarHBondContact CA-O 3.25Å; V792-I924 HydrophobicContact CG2-CG2 3.52Å; V792-I924 PolarHBondContact N-O 3.31Å; F796-I924 HydrophobicContact CD2-CD1 4.23Å; F796-I924 HydrophobicContact CE2-CD1 4.14Å; F796-I924 HydrophobicContact CE2-CG2 4.21Å; L801-I924 HydrophobicContact CD2-CD1 4.24Å; L920-I924 HydrophobicContact CD1-CD1 4.27Å; L920-I924 HydrophobicContact CD1-CG1 4.41Å; L920-I924 HydrophobicContact CG-CD1 4.04Å; L920-I924 WeakPolarHBondContact O-CG1 3.47Å; L920-I924 PolarHBondContact O-N 2.97Å; Q921-I924 PolarHBondContact O-N 2.82Å; R922-I924 VanDerWaalsContact C-N 3.3Å; R922-I924 PolarHBondContact O-N 3.14Å
925S85.4Confident86.1Confident3 Ų339.8 Ų39.82%0.02121%0.211CC..Hα-helixtrans-107.9-1.9-167.4-56.90000116V792 V794 Q921 R981V792-S925 WeakPolarHBondContact O-CA 3.49Å; V792-S925 VanDerWaalsContact O-CB 3.25Å; V792-S925 WeakPolarHBondContact O-CB 3.38Å; V792-S925 PolarHBondContact O-OG 3.43Å; V794-S925 PolarHBondContact O-OG 3.43Å; Q921-S925 PolarHBondContact NE2-OG 3.22Å; Q921-S925 PolarHBondContact O-N 3.46Å; S925-R981 WeakPolarHBondContact O-CB 3.42Å; S925-R981 WeakPolarHBondContact O-CD 3.42Å
926G81.6Confident85.9Confident0 Ų039.7 Ų39.70%021%0.21CC..  trans87.5179.8-174.100000113.1R922R922-G926 WeakPolarHBondContact CA-O 3.48Å; R922-G926 CarbonylContact O-C 3.6Å; R922-G926 VanDerWaalsContact O-CA 3.3Å; R922-G926 WeakPolarHBondContact O-CA 3.04Å; R922-G926 PolarHBondContact O-N 3.45Å
927D77.1Confident86Confident45 Ų4542.5 Ų42.524%0.24122%0.221CC..  trans-82.4149.9-174.8-146.8-14.9000112.3A929 R981 P982 L984D927-A929 HydrophobicContact CB-CB 4.34Å; D927-R981 VanDerWaalsContact O-CB 3.25Å; D927-R981 WeakPolarHBondContact O-CB 3.5Å; D927-R981 WeakPolarHBondContact O-CG 3.27Å; D927-P982 HydrophobicContact CB-CG 4.31Å; D927-P982 PolarHBondContact N-O 3.08Å; D927-P982 WeakPolarHBondContact O-CD 3.46Å; D927-L984 HydrophobicContact CB-CD2 3.8Å
928N71.8Confident86Confident115 Ų11549.9 Ų49.962%0.61525%0.251SS*.  trans-885.7173-67.5-5.3000112.1R981N928-R981 WeakPolarHBondContact OD1-CD 3.12Å; N928-R981 VanDerWaalsContact OD1-CZ 3.24Å; N928-R981 PolarHBondContact OD1-NE 3.24Å; N928-R981 PolarHBondContact OD1-NH1 3.48Å
929A73.4Confident86.2Confident52 Ų5249.9 Ų49.943%0.4325%0.246SC..SBendtrans-69.5151.8177.600000111.6D927D927-A929 HydrophobicContact CB-CB 4.34Å
930E77Confident86.2Confident138 Ų13849.8 Ų49.865%0.64525%0.246SC*.  trans-56.7145.5170.2-69-170.3-179.700110.7D932E930-D932 PolarHBondContact O-N 2.95Å; E930-D932 VanDerWaalsContact O-N 3.13Å
931I83.8Confident86.1Confident17 Ų1752.1 Ų52.19%0.08726%0.26CS..  trans-66.5115.1179.9-64.6160.9000109.2L933 R969 L973 F987I931-L933 HydrophobicContact CG2-CD2 4.01Å; I931-L933 PolarHBondContact O-N 3.36Å; I931-R969 HydrophobicContact CD1-CB 3.97Å; I931-R969 WeakPolarHBondContact CD1-O 3.36Å; I931-L973 HydrophobicContact CD1-CB 3.62Å; I931-L973 HydrophobicContact CD1-CD2 3.84Å; I931-L973 HydrophobicContact CD1-CG 4.33Å; I931-L973 HydrophobicContact CG1-CD2 3.98Å; I931-F987 HydrophobicContact CG2-CE2 4.03Å; I931-F987 HydrophobicContact CG2-CZ 3.98Å
932D87Confident86Confident93 Ų9353.8 Ų53.850%0.49727%0.266SS..  trans-71.596.4169.7-172.2-19.2000109.4E930 E934 D935 L936E930-D932 PolarHBondContact O-N 2.95Å; E930-D932 VanDerWaalsContact O-N 3.13Å; D932-E934 VanDerWaalsContact C-N 3.25Å; D932-E934 PolarHBondContact O-N 3.02Å; D932-E934 PolarHBondContact OD1-N 3.44Å; D932-D935 HydrophobicContact CB-CB 3.89Å; D932-D935 PolarHBondContact O-N 3.29Å; D932-D935 PolarHBondContact OD1-N 3Å; D932-L936 PolarHBondContact O-N 3.32Å
933L88.8Confident85.8Confident19 Ų1956.1 Ų56.110%0.09928%0.276CS..Hα-helixtrans-65.5-28.7-179.9-65.8175.8000112.3I931 K937 W957 L960 A961I931-L933 HydrophobicContact CG2-CD2 4.01Å; I931-L933 PolarHBondContact O-N 3.36Å; L933-K937 WeakPolarHBondContact O-CB 3.29Å; L933-K937 PolarHBondContact O-N 3.21Å; L933-W957 HydrophobicContact CD2-CZ3 4.49Å; L933-L960 HydrophobicContact CD1-CB 3.98Å; L933-L960 HydrophobicContact CD2-CB 4.12Å; L933-L960 HydrophobicContact CD2-CD1 4.43Å; L933-A961 HydrophobicContact CD1-CB 4.11Å
934E89.3Confident85.2Confident124 Ų12458.1 Ų58.158%0.57930%0.298SS*.Hα-helixtrans-73.5-40.1177.4-69-58.9136.800110.7D932 K937 K938D932-E934 VanDerWaalsContact C-N 3.25Å; D932-E934 PolarHBondContact O-N 3.02Å; D932-E934 PolarHBondContact OD1-N 3.44Å; E934-K937 PolarHBondContact O-N 2.61Å; E934-K938 VanDerWaalsContact O-CB 3.27Å; E934-K938 WeakPolarHBondContact O-CB 3.37Å; E934-K938 PolarHBondContact O-N 2.92Å
935D89.6Confident84.7Confident37 Ų3761.2 Ų61.220%0.19833%0.329CS..Hα-helixtrans-64.4-43.2172.5-17249.4000112.1D932 K938 H939 G986 F987D932-D935 HydrophobicContact CB-CB 3.89Å; D932-D935 PolarHBondContact O-N 3.29Å; D932-D935 PolarHBondContact OD1-N 3Å; D935-K938 PolarHBondContact O-N 3.3Å; D935-H939 PolarHBondContact O-N 3.3Å; D935-H939 PolarHBondContact O-ND1 3.41Å; D935-H939 IonicContact OD1-CE1 3.78Å; D935-H939 PolarHBondContact OD1-CE1 2.86Å; D935-H939 IonicContact OD1-ND1 3.6Å; D935-H939 PolarHBondContact OD1-ND1 3.39Å; D935-G986 VanDerWaalsContact OD2-CA 3.31Å; D935-G986 WeakPolarHBondContact OD2-CA 3.33Å; D935-F987 HydrophobicContact CB-CD2 4.36Å; D935-F987 PolarHBondContact OD2-N 3.26Å
936L89.3Confident84.8Confident0 Ų061.6 Ų61.60%033%0.331CS..Hα-helixtrans-60.7-47.9176-177.361.9000110.9D932 K938 H939 T940 W957 F972 F987 F994D932-L936 PolarHBondContact O-N 3.32Å; L936-K938 PolarHBondContact O-N 2.96Å; L936-H939 CarbonylContact O-C 3.59Å; L936-H939 PolarHBondContact O-N 3.39Å; L936-T940 PolarHBondContact O-N 3.02Å; L936-T940 VanDerWaalsContact O-N 3.1Å; L936-T940 PolarHBondContact O-OG1 3.09Å; L936-W957 HydrophobicContact CB-CH2 4.35Å; L936-W957 HydrophobicContact CB-CZ3 4.43Å; L936-W957 HydrophobicContact CD2-CH2 3.97Å; L936-W957 HydrophobicContact CD2-CZ3 4.01Å; L936-W957 HydrophobicContact CG-CH2 3.83Å; L936-W957 HydrophobicContact CG-CZ3 4.2Å; L936-F972 HydrophobicContact CD2-CE1 4.27Å; L936-F987 HydrophobicContact CB-CD2 3.58Å; L936-F987 HydrophobicContact CB-CE2 3.71Å; L936-F987 HydrophobicContact CB-CG 4.07Å; L936-F987 HydrophobicContact CB-CZ 4.3Å; L936-F987 HydrophobicContact CD1-CB 4.22Å; L936-F987 HydrophobicContact CD1-CD1 3.44Å; L936-F987 VanDerWaalsContact CD1-CD1 3.44Å; L936-F987 HydrophobicContact CD1-CD2 3.96Å; L936-F987 HydrophobicContact CD1-CE1 3.67Å; L936-F987 HydrophobicContact CD1-CE2 4.14Å; L936-F987 HydrophobicContact CD1-CG 3.59Å; L936-F987 HydrophobicContact CD1-CZ 3.99Å; L936-F987 HydrophobicContact CG-CD2 4.33Å; L936-F987 HydrophobicContact CG-CE2 4.36Å; L936-F987 HydrophobicContact CG-CG 4.42Å; L936-F987 HydrophobicContact CG-CZ 4.49Å; L936-F994 HydrophobicContact CD1-CB 3.99Å; L936-F994 HydrophobicContact CD1-CD1 3.68Å; L936-F994 HydrophobicContact CD1-CE1 4.46Å; L936-F994 HydrophobicContact CD1-CG 3.97Å; L936-F994 HydrophobicContact CG-CD1 4.07Å; L936-F994 HydrophobicContact CG-CE1 4.47Å
937K90.4Very high85.1Confident75 Ų7566 Ų6633%0.32635%0.351SS..Hα-helixtrans-61.7-41.9178.8178178.6177-169.60112.5L933 E934 H939 T940 W957L933-K937 WeakPolarHBondContact O-CB 3.29Å; L933-K937 PolarHBondContact O-N 3.21Å; E934-K937 PolarHBondContact O-N 2.61Å; K937-H939 VanDerWaalsContact C-N 3.26Å; K937-H939 PolarHBondContact O-N 2.84Å; K937-T940 PolarHBondContact O-N 3.3Å; K937-W957 HydrophobicContact CB-CD2 3.95Å; K937-W957 HydrophobicContact CB-CE3 4.05Å; K937-W957 HydrophobicContact CB-CH2 3.94Å; K937-W957 HydrophobicContact CB-CZ2 3.79Å; K937-W957 HydrophobicContact CB-CZ3 4.04Å; K937-W957 HydrophobicContact CD-CB 4.45Å; K937-W957 HydrophobicContact CD-CD2 3.95Å; K937-W957 HydrophobicContact CD-CG 3.84Å; K937-W957 HydrophobicContact CG-CD2 3.95Å; K937-W957 HydrophobicContact CG-CG 4.25Å; K937-W957 HydrophobicContact CG-CZ2 4.07Å
938K90.8Very high85.4Confident165 Ų16565.8 Ų65.872%0.71736%0.359SS*.Hα-helixtrans-61.3-34.5178.6-178.8179.1175.5-175.30112.5E934 D935 L936E934-K938 VanDerWaalsContact O-CB 3.27Å; E934-K938 WeakPolarHBondContact O-CB 3.37Å; E934-K938 PolarHBondContact O-N 2.92Å; D935-K938 PolarHBondContact O-N 3.3Å; L936-K938 PolarHBondContact O-N 2.96Å
939H90.8Very high86.2Confident56 Ų5664.4 Ų64.426%0.25936%0.359SS..THydrogen-bonded Turntrans-103.114.8-178.2-58.1101.8000113.4D935 L936 K937 F987D935-H939 PolarHBondContact O-N 3.3Å; D935-H939 PolarHBondContact O-ND1 3.41Å; D935-H939 IonicContact OD1-CE1 3.78Å; D935-H939 PolarHBondContact OD1-CE1 2.86Å; D935-H939 IonicContact OD1-ND1 3.6Å; D935-H939 PolarHBondContact OD1-ND1 3.39Å; L936-H939 CarbonylContact O-C 3.59Å; L936-H939 PolarHBondContact O-N 3.39Å; K937-H939 VanDerWaalsContact C-N 3.26Å; K937-H939 PolarHBondContact O-N 2.84Å; H939-F987 HydrophobicContact CB-CB 4.33Å
940T91.1Very high87Confident13 Ų1363.5 Ų63.58%0.0835%0.346CS..  trans-81.7130.5175.3-59.70000111.2L936 K937 Y942 W957 F994 I996L936-T940 PolarHBondContact O-N 3.02Å; L936-T940 VanDerWaalsContact O-N 3.1Å; L936-T940 PolarHBondContact O-OG1 3.09Å; K937-T940 PolarHBondContact O-N 3.3Å; T940-Y942 HydrophobicContact CG2-CD1 4.34Å; T940-Y942 HydrophobicContact CG2-CE1 3.85Å; T940-Y942 HydrophobicContact CG2-CE2 4.15Å; T940-W957 HydrophobicContact CG2-CZ2 4.37Å; T940-W957 WeakPolarHBondContact OG1-CZ2 3.32Å; T940-F994 CarbonylContact C-O 3.57Å; T940-F994 WeakPolarHBondContact CA-O 3.47Å; T940-F994 HydrophobicContact CG2-CD1 3.82Å; T940-F994 HydrophobicContact CG2-CE1 3.93Å; T940-F994 WeakPolarHBondContact OG1-CD1 3.37Å; T940-I996 HydrophobicContact CG2-CD1 3.76Å; T940-I996 HydrophobicContact CG2-CG1 3.71Å
941V90.2Very high87.6Confident50 Ų5063.9 Ų63.930%0.30334%0.341SS..EExtended strand (participates in β ladder)trans-96.7135.8173.1-172.80000110.1Y943 P993 F994 S995 I996V941-Y943 HydrophobicContact CB-CE2 4.11Å; V941-Y943 HydrophobicContact CG1-CD2 4.34Å; V941-Y943 HydrophobicContact CG1-CE1 4.26Å; V941-Y943 HydrophobicContact CG1-CE2 3.58Å; V941-P993 HydrophobicContact CG2-CB 4.19Å; V941-P993 HydrophobicContact CG2-CG 4.23Å; V941-F994 PolarHBondContact N-O 3.47Å; V941-S995 CarbonylContact O-C 3.58Å; V941-S995 WeakPolarHBondContact O-CA 3.32Å; V941-I996 PolarHBondContact O-N 3.42Å
942Y89.3Confident87.9Confident51 Ų5163 Ų6320%0.234%0.337CS..EExtended strand (participates in β ladder)trans-110.7137.7-177.9-57.4-86.3000111.6T940 F946 I953 W957 I996T940-Y942 HydrophobicContact CG2-CD1 4.34Å; T940-Y942 HydrophobicContact CG2-CE1 3.85Å; T940-Y942 HydrophobicContact CG2-CE2 4.15Å; Y942-F946 WeakPolarHBondContact CB-O 3.45Å; Y942-F946 HydrophobicContact CD1-CB 4.33Å; Y942-I953 HydrophobicContact CD1-CD1 4.05Å; Y942-I953 HydrophobicContact CD1-CG1 4.16Å; Y942-I953 HydrophobicContact CD1-CG2 4.42Å; Y942-I953 HydrophobicContact CE1-CB 4.34Å; Y942-I953 HydrophobicContact CE1-CD1 3.86Å; Y942-I953 HydrophobicContact CE1-CG1 3.95Å; Y942-I953 HydrophobicContact CE1-CG2 3.45Å; Y942-I953 VanDerWaalsContact CE1-CG2 3.45Å; Y942-W957 PolarHBondContact OH-NE1 3.48Å; Y942-I996 CarbonylContact C-O 3.56Å; Y942-I996 WeakPolarHBondContact CA-O 3.32Å; Y942-I996 HydrophobicContact CD1-CB 4.11Å; Y942-I996 HydrophobicContact CE1-CB 4.42Å; Y942-I996 HydrophobicContact CE1-CD1 3.99Å
943Y84.6Confident88.1Confident121 Ų12158.6 Ų58.648%0.47531%0.313SS..EExtended strand (participates in β ladder)trans-131.9163.9179.6-62.5-77.8000111.8V941 G945 I996 R997 C998V941-Y943 HydrophobicContact CB-CE2 4.11Å; V941-Y943 HydrophobicContact CG1-CD2 4.34Å; V941-Y943 HydrophobicContact CG1-CE1 4.26Å; V941-Y943 HydrophobicContact CG1-CE2 3.58Å; Y943-G945 PolarHBondContact O-N 2.95Å; Y943-I996 PolarHBondContact N-O 2.99Å; Y943-R997 WeakPolarHBondContact O-CA 3.42Å; Y943-C998 PolarHBondContact O-N 3.3Å
944G78.9Confident88.3Confident46 Ų4662 Ų6247%0.47433%0.331SS..THydrogen-bonded Turntrans68.332.417400000114.2F946 C998G944-F946 VanDerWaalsContact C-N 3.35Å; G944-F946 PolarHBondContact O-N 2.99Å; G944-C998 WeakPolarHBondContact O-CB 3.4Å
945G77.6Confident88.5Confident65 Ų6558.9 Ų58.967%0.6731%0.314SS*.THydrogen-bonded Turntrans86.1-3.2178.500000115.4Y943Y943-G945 PolarHBondContact O-N 2.95Å
946F87.8Confident88.7Confident11 Ų1157.1 Ų57.15%0.04830%0.304CS..  trans-76.6148.4165.6-74.1-15.1000111.8Y942 G944 H950 V952 I953 I996 C998 L1042 N1044Y942-F946 WeakPolarHBondContact CB-O 3.45Å; Y942-F946 HydrophobicContact CD1-CB 4.33Å; G944-F946 VanDerWaalsContact C-N 3.35Å; G944-F946 PolarHBondContact O-N 2.99Å; F946-H950 HydrophobicContact CD1-CB 4.46Å; F946-H950 AromaticContact CD1-CE1 3.67Å; F946-H950 AromaticContact CD1-CG 3.75Å; F946-H950 AromaticContact CD1-ND1 3.48Å; F946-H950 WeakPolarHBondContact CD1-ND1 3.42Å; F946-H950 AromaticContact CE1-CE1 3.3Å; F946-H950 WeakPolarHBondContact CE1-CE1 3.4Å; F946-H950 AromaticContact CE1-ND1 3.46Å; F946-H950 WeakPolarHBondContact CE1-ND1 3.48Å; F946-H950 AromaticContact CE1-NE2 3.93Å; F946-V952 HydrophobicContact CZ-CB 4.43Å; F946-V952 HydrophobicContact CZ-CG1 4.34Å; F946-I953 HydrophobicContact CB-CD1 4.24Å; F946-I953 HydrophobicContact CB-CG1 4.12Å; F946-I953 HydrophobicContact CD2-CD1 3.71Å; F946-I953 HydrophobicContact CD2-CG1 4.29Å; F946-I953 HydrophobicContact CE2-CD1 4.23Å; F946-I953 HydrophobicContact CG-CD1 4.04Å; F946-I953 HydrophobicContact CG-CG1 4.12Å; F946-I996 HydrophobicContact CD2-CG2 4.04Å; F946-I996 HydrophobicContact CE2-CG2 4.49Å; F946-C998 HydrophobicContact CD1-CB 3.82Å; F946-C998 HydrophobicContact CD2-CB 3.73Å; F946-C998 HydrophobicContact CE1-CB 3.73Å; F946-C998 WeakPolarHBondContact CE1-SG 3.37Å; F946-C998 VanDerWaalsContact CE2-CA 3.48Å; F946-C998 HydrophobicContact CE2-CB 3.64Å; F946-C998 HydrophobicContact CG-CB 3.84Å; F946-C998 HydrophobicContact CZ-CB 3.65Å; F946-C998 WeakPolarHBondContact CZ-SG 3.09Å; F946-L1042 HydrophobicContact CE2-CB 4.02Å; F946-L1042 HydrophobicContact CE2-CD2 4.19Å; F946-L1042 HydrophobicContact CE2-CG 4.3Å; F946-L1042 WeakPolarHBondContact CE2-O 3.13Å; F946-N1044 HydrophobicContact CZ-CB 4.48Å
947H88Confident88.9Confident93 Ų9357.8 Ų57.843%0.43131%0.307SS..  trans-151.8166.817456.786.6000108.7S949 H950H947-S949 PolarHBondContact CE1-OG 2.69Å; H947-S949 PolarHBondContact ND1-N 2.9Å; H947-S949 PolarHBondContact ND1-OG 3.4Å; H947-S949 PolarHBondContact O-N 2.77Å; H947-H950 VanDerWaalsContact O-CB 3.23Å; H947-H950 WeakPolarHBondContact O-CB 3.43Å; H947-H950 PolarHBondContact O-N 2.92Å
948G84.9Confident89Confident40 Ų4057.3 Ų57.341%0.41231%0.308SS..THydrogen-bonded Turntrans-58.3-23.4-171.400000116.2
949S87.4Confident89.1Confident87 Ų8749.4 Ų49.461%0.60827%0.273SS*.THydrogen-bonded Turntrans-96.63.7176.351.20000114.5H947 I954H947-S949 PolarHBondContact CE1-OG 2.69Å; H947-S949 PolarHBondContact ND1-N 2.9Å; H947-S949 PolarHBondContact ND1-OG 3.4Å; H947-S949 PolarHBondContact O-N 2.77Å; S949-I954 WeakPolarHBondContact O-CD1 3.1Å
950H89.6Confident89.2Confident33 Ų3346.8 Ų46.815%0.15326%0.261CS..SBendtrans-68.4138177.5-173.4-90.1000111.1F946 H947 V952 I953 I954 N1044F946-H950 HydrophobicContact CD1-CB 4.46Å; F946-H950 AromaticContact CD1-CE1 3.67Å; F946-H950 AromaticContact CD1-CG 3.75Å; F946-H950 AromaticContact CD1-ND1 3.48Å; F946-H950 WeakPolarHBondContact CD1-ND1 3.42Å; F946-H950 AromaticContact CE1-CE1 3.3Å; F946-H950 WeakPolarHBondContact CE1-CE1 3.4Å; F946-H950 AromaticContact CE1-ND1 3.46Å; F946-H950 WeakPolarHBondContact CE1-ND1 3.48Å; F946-H950 AromaticContact CE1-NE2 3.93Å; H947-H950 VanDerWaalsContact O-CB 3.23Å; H947-H950 WeakPolarHBondContact O-CB 3.43Å; H947-H950 PolarHBondContact O-N 2.92Å; H950-V952 VanDerWaalsContact C-N 3.29Å; H950-V952 PolarHBondContact ND1-N 3.07Å; H950-V952 PolarHBondContact O-N 2.96Å; H950-V952 VanDerWaalsContact O-N 3.14Å; H950-I953 HydrophobicContact CB-CB 4.38Å; H950-I953 HydrophobicContact CB-CG1 4.08Å; H950-I953 WeakPolarHBondContact O-CB 3.25Å; H950-I953 PolarHBondContact O-N 3.19Å; H950-I954 PolarHBondContact O-N 3.45Å; H950-N1044 PolarHBondContact CE1-OD1 3.43Å
951R90.9Very high89.2Confident145 Ų14548.4 Ų48.455%0.54728%0.276SS..Hα-helixtrans-52.2-44.3-172.491.1179.895.3-172.93.9113.3I953 I954 W955R951-I953 VanDerWaalsContact C-N 3.33Å; R951-I953 PolarHBondContact O-N 3.38Å; R951-I954 PolarHBondContact O-N 2.73Å; R951-W955 HydrophobicContact CG-CE3 4.4Å; R951-W955 HydrophobicContact CG-CH2 4Å; R951-W955 HydrophobicContact CG-CZ2 4.11Å; R951-W955 HydrophobicContact CG-CZ3 4.14Å; R951-W955 PolarHBondContact O-N 3.09Å
952V88.9Confident89.1Confident0 Ų050.2 Ų50.20%029%0.291CS..Hα-helixtrans-71.1-32-175.8177.60000110.9F946 H950 W955 L956 L1042 N1044 L1051F946-V952 HydrophobicContact CZ-CB 4.43Å; F946-V952 HydrophobicContact CZ-CG1 4.34Å; H950-V952 VanDerWaalsContact C-N 3.29Å; H950-V952 PolarHBondContact ND1-N 3.07Å; H950-V952 PolarHBondContact O-N 2.96Å; H950-V952 VanDerWaalsContact O-N 3.14Å; V952-W955 HydrophobicContact CG2-CE3 4.25Å; V952-W955 HydrophobicContact CG2-CZ3 4.32Å; V952-W955 PolarHBondContact O-N 2.91Å; V952-L956 WeakPolarHBondContact O-CB 3.4Å; V952-L956 PolarHBondContact O-N 2.99Å; V952-L1042 HydrophobicContact CG1-CD2 3.78Å; V952-L1042 HydrophobicContact CG1-CG 4.29Å; V952-N1044 VanDerWaalsContact CG2-OD1 3.27Å; V952-N1044 WeakPolarHBondContact CG2-OD1 3.33Å; V952-L1051 HydrophobicContact CG1-CD2 4.15Å
953I92.6Very high89.1Confident0 Ų050 Ų500%029%0.293CS..Hα-helixtrans-71.3-43175.8-62.6-53.9000110.3Y942 F946 H950 R951 W955 L956 W957 I996 L1042Y942-I953 HydrophobicContact CD1-CD1 4.05Å; Y942-I953 HydrophobicContact CD1-CG1 4.16Å; Y942-I953 HydrophobicContact CD1-CG2 4.42Å; Y942-I953 HydrophobicContact CE1-CB 4.34Å; Y942-I953 HydrophobicContact CE1-CD1 3.86Å; Y942-I953 HydrophobicContact CE1-CG1 3.95Å; Y942-I953 HydrophobicContact CE1-CG2 3.45Å; Y942-I953 VanDerWaalsContact CE1-CG2 3.45Å; F946-I953 HydrophobicContact CB-CD1 4.24Å; F946-I953 HydrophobicContact CB-CG1 4.12Å; F946-I953 HydrophobicContact CD2-CD1 3.71Å; F946-I953 HydrophobicContact CD2-CG1 4.29Å; F946-I953 HydrophobicContact CE2-CD1 4.23Å; F946-I953 HydrophobicContact CG-CD1 4.04Å; F946-I953 HydrophobicContact CG-CG1 4.12Å; H950-I953 HydrophobicContact CB-CB 4.38Å; H950-I953 HydrophobicContact CB-CG1 4.08Å; H950-I953 WeakPolarHBondContact O-CB 3.25Å; H950-I953 PolarHBondContact O-N 3.19Å; R951-I953 VanDerWaalsContact C-N 3.33Å; R951-I953 PolarHBondContact O-N 3.38Å; I953-W955 VanDerWaalsContact C-N 3.3Å; I953-W955 PolarHBondContact O-N 3.13Å; I953-L956 WeakPolarHBondContact O-CB 3.39Å; I953-L956 PolarHBondContact O-N 2.64Å; I953-W957 PolarHBondContact O-N 3.17Å; I953-W957 VanDerWaalsContact O-N 3.08Å; I953-I996 HydrophobicContact CD1-CD1 4.25Å; I953-I996 HydrophobicContact CD1-CG2 3.87Å; I953-L1042 HydrophobicContact CD1-CD2 4.33Å
954I91.8Very high89.5Confident90 Ų9044.6 Ų44.646%0.46227%0.272SS..Hα-helixtrans-59.6-44.8173.6-63.6170.4000110.2S949 H950 R951 W957 D958S949-I954 WeakPolarHBondContact O-CD1 3.1Å; H950-I954 PolarHBondContact O-N 3.45Å; R951-I954 PolarHBondContact O-N 2.73Å; I954-W957 PolarHBondContact O-N 3.04Å; I954-D958 WeakPolarHBondContact O-CB 3.39Å; I954-D958 PolarHBondContact O-N 3.26Å
955W93.7Very high90Very high59 Ų5945.6 Ų45.622%0.22327%0.269CS..Hα-helixtrans-61.6-42.3175.8-66.4-14.2000112.9R951 V952 I953 D958 I959 Y1045 K1048 L1051R951-W955 HydrophobicContact CG-CE3 4.4Å; R951-W955 HydrophobicContact CG-CH2 4Å; R951-W955 HydrophobicContact CG-CZ2 4.11Å; R951-W955 HydrophobicContact CG-CZ3 4.14Å; R951-W955 PolarHBondContact O-N 3.09Å; V952-W955 HydrophobicContact CG2-CE3 4.25Å; V952-W955 HydrophobicContact CG2-CZ3 4.32Å; V952-W955 PolarHBondContact O-N 2.91Å; I953-W955 VanDerWaalsContact C-N 3.3Å; I953-W955 PolarHBondContact O-N 3.13Å; W955-D958 PolarHBondContact O-N 3.35Å; W955-I959 WeakPolarHBondContact O-CB 3.49Å; W955-I959 VanDerWaalsContact O-CD1 3.3Å; W955-I959 WeakPolarHBondContact O-CD1 3.22Å; W955-I959 WeakPolarHBondContact O-CG1 3.15Å; W955-I959 PolarHBondContact O-N 3.22Å; W955-Y1045 WeakPolarHBondContact CZ3-O 3.48Å; W955-K1048 HydrophobicContact CB-CB 4.44Å; W955-K1048 HydrophobicContact CB-CG 4.05Å; W955-K1048 HydrophobicContact CD2-CB 3.84Å; W955-K1048 HydrophobicContact CD2-CG 4.4Å; W955-K1048 HydrophobicContact CE3-CB 4.21Å; W955-K1048 HydrophobicContact CG-CB 3.93Å; W955-K1048 HydrophobicContact CG-CD 4.39Å; W955-K1048 HydrophobicContact CG-CG 3.97Å; W955-L1051 HydrophobicContact CB-CD2 3.8Å
956L93.3Very high90.4Very high0 Ų045.7 Ų45.70%026%0.258CS..Hα-helixtrans-56.8-52.8176.6174.167000111V952 I953 D958 I959 L960 I996 L1040 L1042 L1051 L1055V952-L956 WeakPolarHBondContact O-CB 3.4Å; V952-L956 PolarHBondContact O-N 2.99Å; I953-L956 WeakPolarHBondContact O-CB 3.39Å; I953-L956 PolarHBondContact O-N 2.64Å; L956-D958 PolarHBondContact O-N 2.93Å; L956-I959 PolarHBondContact O-N 3.35Å; L956-L960 HydrophobicContact CD1-CD1 4.18Å; L956-L960 HydrophobicContact CD1-CG 4.37Å; L956-L960 HydrophobicContact CG-CD1 4.18Å; L956-L960 WeakPolarHBondContact O-CG 3.43Å; L956-L960 PolarHBondContact O-N 3.02Å; L956-I996 HydrophobicContact CD2-CD1 3.61Å; L956-L1040 HydrophobicContact CD2-CD2 3.93Å; L956-L1042 HydrophobicContact CD2-CD2 4.2Å; L956-L1051 HydrophobicContact CB-CD2 4.24Å; L956-L1055 HydrophobicContact CD1-CD2 3.48Å; L956-L1055 VanDerWaalsContact CD1-CD2 3.48Å
957W94.1Very high90.3Very high14 Ų1451 Ų515%0.05329%0.286CS..Hα-helixtrans-64.9-39.2-178.9-67.3117.9000112.5L933 L936 K937 T940 Y942 I953 I954 L960 A961 F994 I996L933-W957 HydrophobicContact CD2-CZ3 4.49Å; L936-W957 HydrophobicContact CB-CH2 4.35Å; L936-W957 HydrophobicContact CB-CZ3 4.43Å; L936-W957 HydrophobicContact CD2-CH2 3.97Å; L936-W957 HydrophobicContact CD2-CZ3 4.01Å; L936-W957 HydrophobicContact CG-CH2 3.83Å; L936-W957 HydrophobicContact CG-CZ3 4.2Å; K937-W957 HydrophobicContact CB-CD2 3.95Å; K937-W957 HydrophobicContact CB-CE3 4.05Å; K937-W957 HydrophobicContact CB-CH2 3.94Å; K937-W957 HydrophobicContact CB-CZ2 3.79Å; K937-W957 HydrophobicContact CB-CZ3 4.04Å; K937-W957 HydrophobicContact CD-CB 4.45Å; K937-W957 HydrophobicContact CD-CD2 3.95Å; K937-W957 HydrophobicContact CD-CG 3.84Å; K937-W957 HydrophobicContact CG-CD2 3.95Å; K937-W957 HydrophobicContact CG-CG 4.25Å; K937-W957 HydrophobicContact CG-CZ2 4.07Å; T940-W957 HydrophobicContact CG2-CZ2 4.37Å; T940-W957 WeakPolarHBondContact OG1-CZ2 3.32Å; Y942-W957 PolarHBondContact OH-NE1 3.48Å; I953-W957 PolarHBondContact O-N 3.17Å; I953-W957 VanDerWaalsContact O-N 3.08Å; I954-W957 PolarHBondContact O-N 3.04Å; W957-L960 HydrophobicContact CE3-CD1 3.94Å; W957-L960 HydrophobicContact CZ3-CD1 3.94Å; W957-L960 PolarHBondContact O-N 3.31Å; W957-A961 VanDerWaalsContact O-CB 3.3Å; W957-A961 WeakPolarHBondContact O-CB 3.09Å; W957-A961 PolarHBondContact O-N 3.42Å; W957-F994 HydrophobicContact CH2-CE1 4.17Å; W957-F994 HydrophobicContact CZ2-CE1 4.45Å; W957-I996 HydrophobicContact CZ2-CD1 4.35Å
958D92.1Very high90.3Very high64 Ų6448.1 Ų48.134%0.34227%0.273SS..Hα-helixtrans-65.7-37.7175.4-175.524.2000112.1I954 W955 L956 A961 S962 K1048I954-D958 WeakPolarHBondContact O-CB 3.39Å; I954-D958 PolarHBondContact O-N 3.26Å; W955-D958 PolarHBondContact O-N 3.35Å; L956-D958 PolarHBondContact O-N 2.93Å; D958-A961 PolarHBondContact O-N 3.02Å; D958-S962 VanDerWaalsContact O-CB 3.23Å; D958-S962 WeakPolarHBondContact O-CB 3.47Å; D958-S962 PolarHBondContact O-N 3.05Å; D958-S962 PolarHBondContact O-OG 3.31Å; D958-S962 PolarHBondContact OD1-OG 3.46Å; D958-K1048 VanDerWaalsContact CG-NZ 3.29Å; D958-K1048 IonicContact OD1-NZ 2.94Å; D958-K1048 WeakPolarHBondContact OD2-CE 3.39Å; D958-K1048 IonicContact OD2-NZ 3.67Å; D958-K1048 PolarHBondContact OD2-NZ 3.3Å
959I93.3Very high90.6Very high0 Ų048.4 Ų48.40%026%0.262CS..Iπ-helixtrans-64.2-47.7173.5-72160.5000110.7W955 L956 A961 D963 F964 K1048 L1051 R1052W955-I959 WeakPolarHBondContact O-CB 3.49Å; W955-I959 VanDerWaalsContact O-CD1 3.3Å; W955-I959 WeakPolarHBondContact O-CD1 3.22Å; W955-I959 WeakPolarHBondContact O-CG1 3.15Å; W955-I959 PolarHBondContact O-N 3.22Å; L956-I959 PolarHBondContact O-N 3.35Å; I959-A961 VanDerWaalsContact C-N 3.3Å; I959-A961 PolarHBondContact O-N 2.69Å; I959-D963 HydrophobicContact CG2-CB 4.19Å; I959-D963 WeakPolarHBondContact O-CA 3.47Å; I959-D963 WeakPolarHBondContact O-CB 3.21Å; I959-D963 PolarHBondContact O-N 2.99Å; I959-F964 HydrophobicContact CG2-CD1 3.81Å; I959-F964 HydrophobicContact CG2-CE1 3.49Å; I959-F964 VanDerWaalsContact CG2-CE1 3.49Å; I959-F964 HydrophobicContact CG2-CZ 3.97Å; I959-F964 PolarHBondContact O-N 3.23Å; I959-F964 VanDerWaalsContact O-N 3.12Å; I959-K1048 HydrophobicContact CD1-CG 3.99Å; I959-K1048 HydrophobicContact CG1-CG 4.21Å; I959-L1051 HydrophobicContact CD1-CB 4.09Å; I959-L1051 HydrophobicContact CD1-CD2 3.73Å; I959-L1051 HydrophobicContact CD1-CG 3.65Å; I959-R1052 HydrophobicContact CD1-CB 3.75Å; I959-R1052 HydrophobicContact CG1-CB 4.05Å; I959-R1052 HydrophobicContact CG1-CG 4.38Å; I959-R1052 HydrophobicContact CG2-CB 4.25Å; I959-R1052 HydrophobicContact CG2-CG 3.96Å
960L92.3Very high90.5Very high0 Ų045.5 Ų45.50%024%0.243CC..Iπ-helixtrans-62.3-38.1179.1-68.1173.5000111.8L933 L956 W957 F964 R969 F972 L1055L933-L960 HydrophobicContact CD1-CB 3.98Å; L933-L960 HydrophobicContact CD2-CB 4.12Å; L933-L960 HydrophobicContact CD2-CD1 4.43Å; L956-L960 HydrophobicContact CD1-CD1 4.18Å; L956-L960 HydrophobicContact CD1-CG 4.37Å; L956-L960 HydrophobicContact CG-CD1 4.18Å; L956-L960 WeakPolarHBondContact O-CG 3.43Å; L956-L960 PolarHBondContact O-N 3.02Å; W957-L960 HydrophobicContact CE3-CD1 3.94Å; W957-L960 HydrophobicContact CZ3-CD1 3.94Å; W957-L960 PolarHBondContact O-N 3.31Å; L960-F964 HydrophobicContact CD2-CD2 3.6Å; L960-F964 HydrophobicContact CD2-CE2 3.81Å; L960-F964 HydrophobicContact CD2-CG 4.44Å; L960-R969 PolarHBondContact O-NE 2.89Å; L960-R969 PolarHBondContact O-NH2 2.81Å; L960-F972 HydrophobicContact CD1-CD1 4.05Å; L960-F972 HydrophobicContact CD1-CE1 3.68Å; L960-F972 HydrophobicContact CD1-CE2 4.42Å; L960-F972 HydrophobicContact CD1-CZ 3.88Å; L960-F972 HydrophobicContact CD2-CB 4.09Å; L960-F972 HydrophobicContact CD2-CD1 3.83Å; L960-F972 HydrophobicContact CD2-CD2 3.99Å; L960-F972 HydrophobicContact CD2-CE1 4.26Å; L960-F972 HydrophobicContact CD2-CE2 4.4Å; L960-F972 HydrophobicContact CD2-CG 3.68Å; L960-L1055 HydrophobicContact CD2-CD2 4.44Å
961A91.3Very high90.3Very high48 Ų4847.6 Ų47.640%0.39725%0.254SS..Iπ-helixtrans-78.7-43.4-178.500000113.5L933 W957 D958 I959 R969L933-A961 HydrophobicContact CD1-CB 4.11Å; W957-A961 VanDerWaalsContact O-CB 3.3Å; W957-A961 WeakPolarHBondContact O-CB 3.09Å; W957-A961 PolarHBondContact O-N 3.42Å; D958-A961 PolarHBondContact O-N 3.02Å; I959-A961 VanDerWaalsContact C-N 3.3Å; I959-A961 PolarHBondContact O-N 2.69Å; A961-R969 PolarHBondContact O-NH2 2.86Å
962S89.1Confident90.3Very high87 Ų8740.8 Ų40.861%0.60823%0.229SC*.Iπ-helixtrans-104.8-31.8-168.5-52.80000113.9D958D958-S962 VanDerWaalsContact O-CB 3.23Å; D958-S962 WeakPolarHBondContact O-CB 3.47Å; D958-S962 PolarHBondContact O-N 3.05Å; D958-S962 PolarHBondContact O-OG 3.31Å; D958-S962 PolarHBondContact OD1-OG 3.46Å
963D89.3Confident90.2Very high46 Ų4640.9 Ų40.925%0.24623%0.229CC..Iπ-helixtrans-102.3-22.2-172.3-70.3-83000113.6I959 K1048 R1052 R1056I959-D963 HydrophobicContact CG2-CB 4.19Å; I959-D963 WeakPolarHBondContact O-CA 3.47Å; I959-D963 WeakPolarHBondContact O-CB 3.21Å; I959-D963 PolarHBondContact O-N 2.99Å; D963-K1048 IonicContact OD2-NZ 3.53Å; D963-R1052 HydrophobicContact CB-CG 4.42Å; D963-R1052 WeakPolarHBondContact OD1-CD 3.42Å; D963-R1052 IonicContact OD1-CZ 2.83Å; D963-R1052 IonicContact OD1-NH1 3.86Å; D963-R1052 PolarHBondContact OD1-NH1 3Å; D963-R1056 PolarHBondContact O-NH2 2.76Å
964F92.2Very high89.8Confident8 Ų844.8 Ų44.84%0.03525%0.246CC..  trans-101.4137.9-174.9-79.620.4000113.4I959 L960 E968 R969 R1052 L1055 R1056 I1059I959-F964 HydrophobicContact CG2-CD1 3.81Å; I959-F964 HydrophobicContact CG2-CE1 3.49Å; I959-F964 VanDerWaalsContact CG2-CE1 3.49Å; I959-F964 HydrophobicContact CG2-CZ 3.97Å; I959-F964 PolarHBondContact O-N 3.23Å; I959-F964 VanDerWaalsContact O-N 3.12Å; L960-F964 HydrophobicContact CD2-CD2 3.6Å; L960-F964 HydrophobicContact CD2-CE2 3.81Å; L960-F964 HydrophobicContact CD2-CG 4.44Å; F964-E968 VanDerWaalsContact CA-OE2 3.26Å; F964-E968 WeakPolarHBondContact CA-OE2 3.37Å; F964-E968 HydrophobicContact CB-CB 3.88Å; F964-E968 HydrophobicContact CD2-CB 3.9Å; F964-E968 HydrophobicContact CG-CB 3.92Å; F964-R969 HydrophobicContact CB-CG 4.17Å; F964-R969 PolarHBondContact O-NE 2.88Å; F964-R969 PolarHBondContact O-NH2 3.11Å; F964-R1052 HydrophobicContact CE1-CG 4.45Å; F964-L1055 HydrophobicContact CE2-CD2 4Å; F964-L1055 HydrophobicContact CE2-CG 4.18Å; F964-L1055 HydrophobicContact CZ-CB 4.35Å; F964-L1055 HydrophobicContact CZ-CD2 3.88Å; F964-L1055 HydrophobicContact CZ-CG 3.95Å; F964-R1056 HydrophobicContact CE1-CB 4.18Å; F964-R1056 HydrophobicContact CZ-CB 4.12Å; F964-I1059 HydrophobicContact CD2-CD1 4.13Å; F964-I1059 HydrophobicContact CE2-CD1 3.51Å; F964-I1059 HydrophobicContact CZ-CD1 4.07Å
965T90.3Very high89.4Confident67 Ų6740.5 Ų40.541%0.41122%0.224SC..  trans-72.7164.3172.369.40000111.8D967 E968 R969T965-D967 PolarHBondContact O-N 2.9Å; T965-E968 PolarHBondContact N-OE2 3.18Å; T965-E968 VanDerWaalsContact N-OE2 3.14Å; T965-E968 PolarHBondContact O-N 3.2Å; T965-E968 VanDerWaalsContact O-N 3.08Å; T965-E968 WeakPolarHBondContact OG1-CG 3.3Å; T965-E968 PolarHBondContact OG1-N 2.93Å; T965-R969 WeakPolarHBondContact O-CG 3.14Å; T965-R969 PolarHBondContact O-N 3.16Å
966P86.7Confident89Confident67 Ų6737.7 Ų37.744%0.43521%0.213SC..Hα-helixtrans-52.4-40173.3-28.136.5000113.4R969 A970P966-R969 WeakPolarHBondContact O-CB 3.28Å; P966-R969 PolarHBondContact O-N 3.4Å; P966-A970 PolarHBondContact O-N 3.18Å
967D85.3Confident88.3Confident122 Ų12237.9 Ų37.965%0.65222%0.215SC*.Hα-helixtrans-66.5-41.1176.1-59.5-36.1000112.1T965 R969 A970 M971T965-D967 PolarHBondContact O-N 2.9Å; D967-R969 VanDerWaalsContact C-N 3.3Å; D967-R969 PolarHBondContact O-N 3.09Å; D967-A970 PolarHBondContact O-N 3.16Å; D967-M971 WeakPolarHBondContact O-CG 3.36Å; D967-M971 PolarHBondContact O-N 2.93Å
968E88.1Confident87.4Confident33 Ų3338.3 Ų38.315%0.15422%0.22CC..Hα-helixtrans-65.9-33174.8-70.2-176.913500112.3F964 T965 M971 F972 R1056 I1059F964-E968 VanDerWaalsContact CA-OE2 3.26Å; F964-E968 WeakPolarHBondContact CA-OE2 3.37Å; F964-E968 HydrophobicContact CB-CB 3.88Å; F964-E968 HydrophobicContact CD2-CB 3.9Å; F964-E968 HydrophobicContact CG-CB 3.92Å; T965-E968 PolarHBondContact N-OE2 3.18Å; T965-E968 VanDerWaalsContact N-OE2 3.14Å; T965-E968 PolarHBondContact O-N 3.2Å; T965-E968 VanDerWaalsContact O-N 3.08Å; T965-E968 WeakPolarHBondContact OG1-CG 3.3Å; T965-E968 PolarHBondContact OG1-N 2.93Å; E968-M971 HydrophobicContact CB-CE 4.2Å; E968-M971 HydrophobicContact CG-CE 3.72Å; E968-M971 PolarHBondContact O-N 2.94Å; E968-F972 WeakPolarHBondContact O-CB 3.23Å; E968-F972 PolarHBondContact O-N 3.24Å; E968-R1056 WeakPolarHBondContact OE1-CD 3.28Å; E968-R1056 IonicContact OE1-CZ 2.91Å; E968-R1056 IonicContact OE1-NE 3.99Å; E968-R1056 PolarHBondContact OE1-NE 2.92Å; E968-R1056 IonicContact OE1-NH2 2.72Å; E968-R1056 PolarHBondContact OE1-NH2 3.49Å; E968-R1056 IonicContact OE2-CZ 2.87Å; E968-R1056 IonicContact OE2-NE 3.6Å; E968-R1056 IonicContact OE2-NH2 3.86Å; E968-R1056 PolarHBondContact OE2-NH2 3.04Å; E968-I1059 HydrophobicContact CB-CD1 4.34Å; E968-I1059 WeakPolarHBondContact O-CD1 3.3Å
969R90Very high86.7Confident46 Ų4635.6 Ų35.617%0.17421%0.206CC..Hα-helixtrans-67.8-40.9172.1-65.9171.4-171.2165.35.1111.3I931 L960 A961 F964 T965 P966 D967 F972 L973I931-R969 HydrophobicContact CD1-CB 3.97Å; I931-R969 WeakPolarHBondContact CD1-O 3.36Å; L960-R969 PolarHBondContact O-NE 2.89Å; L960-R969 PolarHBondContact O-NH2 2.81Å; A961-R969 PolarHBondContact O-NH2 2.86Å; F964-R969 HydrophobicContact CB-CG 4.17Å; F964-R969 PolarHBondContact O-NE 2.88Å; F964-R969 PolarHBondContact O-NH2 3.11Å; T965-R969 WeakPolarHBondContact O-CG 3.14Å; T965-R969 PolarHBondContact O-N 3.16Å; P966-R969 WeakPolarHBondContact O-CB 3.28Å; P966-R969 PolarHBondContact O-N 3.4Å; D967-R969 VanDerWaalsContact C-N 3.3Å; D967-R969 PolarHBondContact O-N 3.09Å; R969-F972 WeakPolarHBondContact O-CB 3.3Å; R969-F972 PolarHBondContact O-N 3.5Å; R969-L973 PolarHBondContact O-N 3.14Å
970A85.3Confident85.9Confident26 Ų2637 Ų3722%0.21522%0.215CC..Hα-helixtrans-63.8-41.3174.400000111.5P966 D967 L973 K974P966-A970 PolarHBondContact O-N 3.18Å; D967-A970 PolarHBondContact O-N 3.16Å; A970-L973 PolarHBondContact O-N 3.4Å; A970-K974 WeakPolarHBondContact O-CB 3.37Å; A970-K974 PolarHBondContact O-N 3.1Å
971M86.3Confident85.4Confident77 Ų7739.9 Ų39.938%0.37923%0.226SC..Hα-helixtrans-63.1-39.9172-72.7-171.5-71.500112D967 E968 K974 F975 I1059D967-M971 WeakPolarHBondContact O-CG 3.36Å; D967-M971 PolarHBondContact O-N 2.93Å; E968-M971 HydrophobicContact CB-CE 4.2Å; E968-M971 HydrophobicContact CG-CE 3.72Å; E968-M971 PolarHBondContact O-N 2.94Å; M971-K974 PolarHBondContact O-N 3.28Å; M971-F975 VanDerWaalsContact O-CB 3.23Å; M971-F975 WeakPolarHBondContact O-CB 3.22Å; M971-F975 PolarHBondContact O-N 3.4Å; M971-I1059 HydrophobicContact CB-CB 4.43Å; M971-I1059 HydrophobicContact CB-CD1 4.22Å
972F89.9Confident84.9Confident3 Ų338.2 Ų38.21%0.01321%0.211CC..Hα-helixtrans-62.4-46.8173.4170.4-99.2000111.9L936 L960 E968 R969 K974 F975 V976 F994 L1040 L1055 I1059L936-F972 HydrophobicContact CD2-CE1 4.27Å; L960-F972 HydrophobicContact CD1-CD1 4.05Å; L960-F972 HydrophobicContact CD1-CE1 3.68Å; L960-F972 HydrophobicContact CD1-CE2 4.42Å; L960-F972 HydrophobicContact CD1-CZ 3.88Å; L960-F972 HydrophobicContact CD2-CB 4.09Å; L960-F972 HydrophobicContact CD2-CD1 3.83Å; L960-F972 HydrophobicContact CD2-CD2 3.99Å; L960-F972 HydrophobicContact CD2-CE1 4.26Å; L960-F972 HydrophobicContact CD2-CE2 4.4Å; L960-F972 HydrophobicContact CD2-CG 3.68Å; E968-F972 WeakPolarHBondContact O-CB 3.23Å; E968-F972 PolarHBondContact O-N 3.24Å; R969-F972 WeakPolarHBondContact O-CB 3.3Å; R969-F972 PolarHBondContact O-N 3.5Å; F972-K974 VanDerWaalsContact C-N 3.3Å; F972-K974 PolarHBondContact O-N 3.47Å; F972-F975 WeakPolarHBondContact O-CB 3.17Å; F972-F975 PolarHBondContact O-N 2.9Å; F972-F975 VanDerWaalsContact O-N 3.14Å; F972-V976 HydrophobicContact CD1-CG2 4.44Å; F972-V976 HydrophobicContact CD2-CG1 4.37Å; F972-V976 HydrophobicContact CE1-CG2 4.09Å; F972-V976 HydrophobicContact CE2-CG1 3.81Å; F972-V976 HydrophobicContact CZ-CG1 3.91Å; F972-V976 HydrophobicContact CZ-CG2 4.25Å; F972-V976 VanDerWaalsContact O-CG2 3.25Å; F972-V976 WeakPolarHBondContact O-CG2 3.12Å; F972-V976 PolarHBondContact O-N 2.8Å; F972-F994 HydrophobicContact CZ-CZ 4.11Å; F972-L1040 HydrophobicContact CE2-CD2 4.11Å; F972-L1040 HydrophobicContact CZ-CD2 4.3Å; F972-L1055 HydrophobicContact CD2-CD1 4.15Å; F972-L1055 HydrophobicContact CE2-CD1 4.21Å; F972-I1059 HydrophobicContact CB-CG2 4.23Å; F972-I1059 HydrophobicContact CD2-CG2 4.19Å
973L87.7Confident84.6Confident1 Ų135 Ų351%0.00519%0.188CC..Hα-helixtrans-62.5-40.9177.7-175.566.5000111.2I931 R969 A970 F975 V976 T977 C979 R981 P982 F987I931-L973 HydrophobicContact CD1-CB 3.62Å; I931-L973 HydrophobicContact CD1-CD2 3.84Å; I931-L973 HydrophobicContact CD1-CG 4.33Å; I931-L973 HydrophobicContact CG1-CD2 3.98Å; R969-L973 PolarHBondContact O-N 3.14Å; A970-L973 PolarHBondContact O-N 3.4Å; L973-F975 VanDerWaalsContact C-N 3.32Å; L973-F975 PolarHBondContact O-N 3.25Å; L973-V976 HydrophobicContact CD1-CG2 4.44Å; L973-V976 PolarHBondContact O-N 2.81Å; L973-T977 HydrophobicContact CD1-CG2 3.7Å; L973-T977 WeakPolarHBondContact O-CA 3.05Å; L973-T977 WeakPolarHBondContact O-CB 3.14Å; L973-T977 PolarHBondContact O-N 2.97Å; L973-T977 PolarHBondContact O-OG1 2.94Å; L973-C979 CarbonylContact C-O 3.37Å; L973-C979 WeakPolarHBondContact CG-O 3.28Å; L973-R981 VanDerWaalsContact CD2-C 3.48Å; L973-P982 HydrophobicContact CD2-CB 4.47Å; L973-F987 HydrophobicContact CD1-CE1 3.67Å; L973-F987 HydrophobicContact CD1-CZ 3.96Å; L973-F987 HydrophobicContact CD2-CE1 4.41Å; L973-F987 HydrophobicContact CD2-CZ 4.24Å
974K83.3Confident84.2Confident83 Ų8334.1 Ų34.136%0.36118%0.183SC..Hα-helixtrans-61.7-42.7173.1-172.9171.5-174.6162.10111.3D793 A970 M971 F972 V976 S978 C979D793-K974 IonicContact OD2-NZ 3.2Å; A970-K974 WeakPolarHBondContact O-CB 3.37Å; A970-K974 PolarHBondContact O-N 3.1Å; M971-K974 PolarHBondContact O-N 3.28Å; F972-K974 VanDerWaalsContact C-N 3.3Å; F972-K974 PolarHBondContact O-N 3.47Å; K974-V976 VanDerWaalsContact C-N 3.31Å; K974-V976 PolarHBondContact O-N 3.23Å; K974-S978 WeakPolarHBondContact O-CA 3.4Å; K974-S978 PolarHBondContact O-N 3.4Å; K974-C979 VanDerWaalsContact CA-O 3.24Å; K974-C979 WeakPolarHBondContact CA-O 3.42Å; K974-C979 PolarHBondContact N-O 2.69Å; K974-C979 VanDerWaalsContact N-O 3.07Å
975F84.5Confident83.7Confident0 Ų034.7 Ų34.70%019%0.187CC..Hα-helixtrans-61.4-38.9177.5176.1-106.7000112M971 F972 L973 S1033 T1035 L1040 A1058 I1059 T1063M971-F975 VanDerWaalsContact O-CB 3.23Å; M971-F975 WeakPolarHBondContact O-CB 3.22Å; M971-F975 PolarHBondContact O-N 3.4Å; F972-F975 WeakPolarHBondContact O-CB 3.17Å; F972-F975 PolarHBondContact O-N 2.9Å; F972-F975 VanDerWaalsContact O-N 3.14Å; L973-F975 VanDerWaalsContact C-N 3.32Å; L973-F975 PolarHBondContact O-N 3.25Å; F975-S1033 WeakPolarHBondContact O-CB 3.13Å; F975-S1033 PolarHBondContact O-OG 2.73Å; F975-T1035 WeakPolarHBondContact O-CG2 3.37Å; F975-L1040 HydrophobicContact CD1-CD1 4.44Å; F975-L1040 HydrophobicContact CE1-CD1 3.83Å; F975-A1058 HydrophobicContact CE2-CB 4.35Å; F975-A1058 HydrophobicContact CZ-CB 4.06Å; F975-I1059 HydrophobicContact CB-CB 4.26Å; F975-I1059 HydrophobicContact CB-CG2 3.82Å; F975-I1059 HydrophobicContact CD1-CG2 3.86Å; F975-I1059 HydrophobicContact CG-CB 4.48Å; F975-I1059 HydrophobicContact CG-CG2 3.83Å; F975-T1063 WeakPolarHBondContact CE2-O 3.16Å
976V85.8Confident83.4Confident0 Ų032.3 Ų32.30%018%0.176CC..Hα-helixtrans-93.2-22.1-177.8-65.60000115.2F972 L973 K974 F994 N1038 L1040F972-V976 HydrophobicContact CD1-CG2 4.44Å; F972-V976 HydrophobicContact CD2-CG1 4.37Å; F972-V976 HydrophobicContact CE1-CG2 4.09Å; F972-V976 HydrophobicContact CE2-CG1 3.81Å; F972-V976 HydrophobicContact CZ-CG1 3.91Å; F972-V976 HydrophobicContact CZ-CG2 4.25Å; F972-V976 VanDerWaalsContact O-CG2 3.25Å; F972-V976 WeakPolarHBondContact O-CG2 3.12Å; F972-V976 PolarHBondContact O-N 2.8Å; L973-V976 HydrophobicContact CD1-CG2 4.44Å; L973-V976 PolarHBondContact O-N 2.81Å; K974-V976 VanDerWaalsContact C-N 3.31Å; K974-V976 PolarHBondContact O-N 3.23Å; V976-F994 HydrophobicContact CB-CD2 4.23Å; V976-F994 HydrophobicContact CB-CE2 3.63Å; V976-F994 HydrophobicContact CB-CZ 4.49Å; V976-F994 HydrophobicContact CG1-CE2 3.86Å; V976-F994 HydrophobicContact CG1-CZ 4.35Å; V976-F994 HydrophobicContact CG2-CD2 4.13Å; V976-F994 HydrophobicContact CG2-CE2 3.73Å; V976-F994 HydrophobicContact CG2-CZ 4.38Å; V976-N1038 WeakPolarHBondContact O-CA 3.24Å; V976-L1040 HydrophobicContact CG1-CB 4.01Å; V976-L1040 HydrophobicContact CG1-CD1 3.97Å; V976-L1040 HydrophobicContact CG1-CG 4.41Å
977T77.3Confident83.3Confident4 Ų429.5 Ų29.53%0.02516%0.157CC..Hα-helixtrans-126.6-3.4-174.370.80000115.1K732 L973 C979 L990 N1038K732-T977 PolarHBondContact NZ-O 2.98Å; L973-T977 HydrophobicContact CD1-CG2 3.7Å; L973-T977 WeakPolarHBondContact O-CA 3.05Å; L973-T977 WeakPolarHBondContact O-CB 3.14Å; L973-T977 PolarHBondContact O-N 2.97Å; L973-T977 PolarHBondContact O-OG1 2.94Å; T977-C979 PolarHBondContact O-N 3.46Å; T977-C979 PolarHBondContact OG1-N 3.44Å; T977-C979 PolarHBondContact OG1-O 3.3Å; T977-L990 HydrophobicContact CG2-CD2 4.02Å; T977-N1038 WeakPolarHBondContact CA-OD1 3.07Å; T977-N1038 WeakPolarHBondContact CB-OD1 3.47Å; T977-N1038 HydrophobicContact CG2-CB 4.3Å
978S76.6Confident83.3Confident23 Ų2326.3 Ų26.316%0.16115%0.147CC..SBendtrans70.5-8.6-169.9-150.40000115.2E736 K974E736-S978 VanDerWaalsContact CD-CB 3.47Å; E736-S978 WeakPolarHBondContact OE1-CB 3.33Å; E736-S978 WeakPolarHBondContact OE2-CB 3.3Å; E736-S978 PolarHBondContact OE2-OG 2.74Å; K974-S978 WeakPolarHBondContact O-CA 3.4Å; K974-S978 PolarHBondContact O-N 3.4Å
979C75.8Confident82.8Confident7 Ų730.6 Ų30.65%0.04716%0.163CC..  trans-113133.5-177.7-67.80000111.2V791 L973 K974 T977 R981V791-C979 HydrophobicContact CG2-CB 3.94Å; V791-C979 PolarHBondContact O-SG 3.24Å; L973-C979 CarbonylContact C-O 3.37Å; L973-C979 WeakPolarHBondContact CG-O 3.28Å; K974-C979 VanDerWaalsContact CA-O 3.24Å; K974-C979 WeakPolarHBondContact CA-O 3.42Å; K974-C979 PolarHBondContact N-O 2.69Å; K974-C979 VanDerWaalsContact N-O 3.07Å; T977-C979 PolarHBondContact O-N 3.46Å; T977-C979 PolarHBondContact OG1-N 3.44Å; T977-C979 PolarHBondContact OG1-O 3.3Å; C979-R981 PolarHBondContact O-N 2.89Å
980S76.2Confident82.3Confident29 Ų2929.4 Ų29.420%0.20316%0.16CC..SBendtrans-77.2-10.117853.90000113.2D793D793-S980 PolarHBondContact OD2-OG 3.43Å
981R82.4Confident81.4Confident61 Ų6135.9 Ų35.923%0.2318%0.183CC..SBendtrans-122.6138.9-169.8-68.3-176.2-161.9174.110.4112.3S925 D927 N928 L973 C979S925-R981 WeakPolarHBondContact O-CB 3.42Å; S925-R981 WeakPolarHBondContact O-CD 3.42Å; D927-R981 VanDerWaalsContact O-CB 3.25Å; D927-R981 WeakPolarHBondContact O-CB 3.5Å; D927-R981 WeakPolarHBondContact O-CG 3.27Å; N928-R981 WeakPolarHBondContact OD1-CD 3.12Å; N928-R981 VanDerWaalsContact OD1-CZ 3.24Å; N928-R981 PolarHBondContact OD1-NE 3.24Å; N928-R981 PolarHBondContact OD1-NH1 3.48Å; L973-R981 VanDerWaalsContact CD2-C 3.48Å; C979-R981 PolarHBondContact O-N 2.89Å
982P82Confident80.8Confident13 Ų1333.5 Ų33.58%0.08417%0.174CC..  trans-68.9154.317828.4-35.2000112.3D927 L973 F987D927-P982 HydrophobicContact CB-CG 4.31Å; D927-P982 PolarHBondContact N-O 3.08Å; D927-P982 WeakPolarHBondContact O-CD 3.46Å; L973-P982 HydrophobicContact CD2-CB 4.47Å; P982-F987 HydrophobicContact CB-CE1 4.36Å; P982-F987 HydrophobicContact CB-CE2 4.14Å; P982-F987 HydrophobicContact CB-CZ 3.73Å
983P81.4Confident80.5Confident18 Ų1836.3 Ų36.312%0.11719%0.192CC..  trans-63.2142.7172.1-19.231.1000112.3L985 G986 F987 L990P983-L985 PolarHBondContact O-N 3.43Å; P983-L985 VanDerWaalsContact O-N 3.12Å; P983-G986 PolarHBondContact O-N 3.47Å; P983-F987 HydrophobicContact CG-CD1 4.32Å; P983-L990 HydrophobicContact CG-CB 4.15Å; P983-L990 HydrophobicContact CG-CD1 3.81Å
984L80.4Confident80.5Confident28 Ų2836.4 Ų36.415%0.14719%0.192CC..THydrogen-bonded Turntrans-59.7-27.1-175.8-66.7175.3000115.8V654 R922 L923 D927V654-L984 HydrophobicContact CG1-CB 4.33Å; V654-L984 HydrophobicContact CG1-CD1 4.29Å; V654-L984 HydrophobicContact CG2-CD1 3.94Å; R922-L984 HydrophobicContact CB-CD1 4.48Å; R922-L984 HydrophobicContact CB-CD2 3.93Å; R922-L984 WeakPolarHBondContact O-CD1 3.34Å; L923-L984 HydrophobicContact CB-CD1 4.39Å; L923-L984 HydrophobicContact CD1-CD1 4.15Å; D927-L984 HydrophobicContact CB-CD2 3.8Å
985L82.5Confident80.8Confident20 Ų2032.9 Ų32.911%0.10518%0.178CC..THydrogen-bonded Turntrans-99.69.5-179.9-63.8-179.7000112.7K651 V654 L655 R658 P983 Y989K651-L985 HydrophobicContact CG-CD2 3.84Å; V654-L985 HydrophobicContact CB-CD2 4.13Å; V654-L985 HydrophobicContact CG1-CD1 4.04Å; V654-L985 HydrophobicContact CG1-CD2 3.96Å; V654-L985 HydrophobicContact CG1-CG 3.82Å; L655-L985 HydrophobicContact CD1-CD1 4.49Å; R658-L985 HydrophobicContact CG-CD1 4.15Å; P983-L985 PolarHBondContact O-N 3.43Å; P983-L985 VanDerWaalsContact O-N 3.12Å; L985-Y989 HydrophobicContact CB-CD1 4.32Å; L985-Y989 HydrophobicContact CB-CD2 3.36Å; L985-Y989 HydrophobicContact CB-CE2 3.82Å; L985-Y989 HydrophobicContact CB-CG 3.65Å; L985-Y989 HydrophobicContact CD1-CD1 3.87Å; L985-Y989 HydrophobicContact CD1-CD2 4.31Å; L985-Y989 HydrophobicContact CD1-CE1 3.93Å; L985-Y989 HydrophobicContact CD1-CE2 4.37Å; L985-Y989 HydrophobicContact CD1-CG 4.06Å; L985-Y989 HydrophobicContact CG-CD2 4.48Å; L985-Y989 WeakPolarHBondContact O-CD2 3.34Å
986G83.6Confident81.1Confident18 Ų1832.9 Ų32.919%0.18618%0.178CC..  trans86.3174.3-172.300000112.9D935 P983 A988 Y989D935-G986 VanDerWaalsContact OD2-CA 3.31Å; D935-G986 WeakPolarHBondContact OD2-CA 3.33Å; P983-G986 PolarHBondContact O-N 3.47Å; G986-A988 PolarHBondContact O-N 2.92Å; G986-Y989 PolarHBondContact O-N 3.48Å; G986-Y989 VanDerWaalsContact O-N 3.16Å
987F85.7Confident81.2Confident7 Ų739.6 Ų39.63%0.03120%0.203CC..G310 helixtrans-71.5-14.5-173.7-70.2-72.3000114I931 D935 L936 H939 L973 P982 P983 Y989 L990I931-F987 HydrophobicContact CG2-CE2 4.03Å; I931-F987 HydrophobicContact CG2-CZ 3.98Å; D935-F987 HydrophobicContact CB-CD2 4.36Å; D935-F987 PolarHBondContact OD2-N 3.26Å; L936-F987 HydrophobicContact CB-CD2 3.58Å; L936-F987 HydrophobicContact CB-CE2 3.71Å; L936-F987 HydrophobicContact CB-CG 4.07Å; L936-F987 HydrophobicContact CB-CZ 4.3Å; L936-F987 HydrophobicContact CD1-CB 4.22Å; L936-F987 HydrophobicContact CD1-CD1 3.44Å; L936-F987 VanDerWaalsContact CD1-CD1 3.44Å; L936-F987 HydrophobicContact CD1-CD2 3.96Å; L936-F987 HydrophobicContact CD1-CE1 3.67Å; L936-F987 HydrophobicContact CD1-CE2 4.14Å; L936-F987 HydrophobicContact CD1-CG 3.59Å; L936-F987 HydrophobicContact CD1-CZ 3.99Å; L936-F987 HydrophobicContact CG-CD2 4.33Å; L936-F987 HydrophobicContact CG-CE2 4.36Å; L936-F987 HydrophobicContact CG-CG 4.42Å; L936-F987 HydrophobicContact CG-CZ 4.49Å; H939-F987 HydrophobicContact CB-CB 4.33Å; L973-F987 HydrophobicContact CD1-CE1 3.67Å; L973-F987 HydrophobicContact CD1-CZ 3.96Å; L973-F987 HydrophobicContact CD2-CE1 4.41Å; L973-F987 HydrophobicContact CD2-CZ 4.24Å; P982-F987 HydrophobicContact CB-CE1 4.36Å; P982-F987 HydrophobicContact CB-CE2 4.14Å; P982-F987 HydrophobicContact CB-CZ 3.73Å; P983-F987 HydrophobicContact CG-CD1 4.32Å; F987-Y989 PolarHBondContact O-N 2.98Å; F987-L990 HydrophobicContact CD1-CD2 4.19Å; F987-L990 WeakPolarHBondContact O-CB 3.34Å; F987-L990 PolarHBondContact O-N 3.36Å; F987-L990 VanDerWaalsContact O-N 3.11Å
988A84Confident81.5Confident55 Ų5540.2 Ų40.246%0.45521%0.207SC..G310 helixtrans-57.7-26.1168.800000113.4G986G986-A988 PolarHBondContact O-N 2.92Å
989Y77.3Confident81.6Confident123 Ų12340.2 Ų40.248%0.48221%0.207SC..G310 helixtrans-102.55.8-179-67.5-96.4000112.8L985 G986 F987 K991L985-Y989 HydrophobicContact CB-CD1 4.32Å; L985-Y989 HydrophobicContact CB-CD2 3.36Å; L985-Y989 HydrophobicContact CB-CE2 3.82Å; L985-Y989 HydrophobicContact CB-CG 3.65Å; L985-Y989 HydrophobicContact CD1-CD1 3.87Å; L985-Y989 HydrophobicContact CD1-CD2 4.31Å; L985-Y989 HydrophobicContact CD1-CE1 3.93Å; L985-Y989 HydrophobicContact CD1-CE2 4.37Å; L985-Y989 HydrophobicContact CD1-CG 4.06Å; L985-Y989 HydrophobicContact CG-CD2 4.48Å; L985-Y989 WeakPolarHBondContact O-CD2 3.34Å; G986-Y989 PolarHBondContact O-N 3.48Å; G986-Y989 VanDerWaalsContact O-N 3.16Å; F987-Y989 PolarHBondContact O-N 2.98Å; Y989-K991 PolarHBondContact O-N 2.98Å
990L79.5Confident80.9Confident21 Ų2147.7 Ų47.711%0.1124%0.241CC..  trans-70.3123.2171.8-172.868.8000108.9T977 P983 F987 P992 F994 N1038T977-L990 HydrophobicContact CG2-CD2 4.02Å; P983-L990 HydrophobicContact CG-CB 4.15Å; P983-L990 HydrophobicContact CG-CD1 3.81Å; F987-L990 HydrophobicContact CD1-CD2 4.19Å; F987-L990 WeakPolarHBondContact O-CB 3.34Å; F987-L990 PolarHBondContact O-N 3.36Å; F987-L990 VanDerWaalsContact O-N 3.11Å; L990-P992 CarbonylContact C-O 3.44Å; L990-P992 CarbonylContact O-C 3.58Å; L990-F994 HydrophobicContact CD2-CB 3.95Å; L990-N1038 HydrophobicContact CD2-CB 4.18Å; L990-N1038 WeakPolarHBondContact CG-ND2 3.42Å
991K68.1Low79.7Confident163 Ų16350 Ų5071%0.70925%0.253SS*.SBendtrans-122.6126.3178.1-72.3-169.6174.3-170.30110.5Y989Y989-K991 PolarHBondContact O-N 2.98Å
992P73.8Confident77.8Confident27 Ų2751.6 Ų51.618%0.17527%0.274CS..SBendcis-61.7163.4-13.225-32.4000112.9L990 N1038L990-P992 CarbonylContact C-O 3.44Å; L990-P992 CarbonylContact O-C 3.58Å; P992-N1038 PolarHBondContact O-ND2 2.89Å
993P82.2Confident75.9Confident61 Ų6157.7 Ų57.740%0.39631%0.306SS..PPolyproline II helixtrans-65.7147.3-179.427.7-35.2000112.1V941 S995V941-P993 HydrophobicContact CG2-CB 4.19Å; V941-P993 HydrophobicContact CG2-CG 4.23Å; P993-S995 PolarHBondContact O-N 3.41Å; P993-S995 PolarHBondContact O-OG 3Å
994F89.1Confident74.1Confident3 Ų363.1 Ų63.11%0.01333%0.334CS..PPolyproline II helixtrans-62128.9176.2176.4-118.4000110.3L936 T940 V941 W957 F972 V976 L990 I996 N1038 L1040L936-F994 HydrophobicContact CD1-CB 3.99Å; L936-F994 HydrophobicContact CD1-CD1 3.68Å; L936-F994 HydrophobicContact CD1-CE1 4.46Å; L936-F994 HydrophobicContact CD1-CG 3.97Å; L936-F994 HydrophobicContact CG-CD1 4.07Å; L936-F994 HydrophobicContact CG-CE1 4.47Å; T940-F994 CarbonylContact C-O 3.57Å; T940-F994 WeakPolarHBondContact CA-O 3.47Å; T940-F994 HydrophobicContact CG2-CD1 3.82Å; T940-F994 HydrophobicContact CG2-CE1 3.93Å; T940-F994 WeakPolarHBondContact OG1-CD1 3.37Å; V941-F994 PolarHBondContact N-O 3.47Å; W957-F994 HydrophobicContact CH2-CE1 4.17Å; W957-F994 HydrophobicContact CZ2-CE1 4.45Å; F972-F994 HydrophobicContact CZ-CZ 4.11Å; V976-F994 HydrophobicContact CB-CD2 4.23Å; V976-F994 HydrophobicContact CB-CE2 3.63Å; V976-F994 HydrophobicContact CB-CZ 4.49Å; V976-F994 HydrophobicContact CG1-CE2 3.86Å; V976-F994 HydrophobicContact CG1-CZ 4.35Å; V976-F994 HydrophobicContact CG2-CD2 4.13Å; V976-F994 HydrophobicContact CG2-CE2 3.73Å; V976-F994 HydrophobicContact CG2-CZ 4.38Å; L990-F994 HydrophobicContact CD2-CB 3.95Å; F994-I996 HydrophobicContact CE1-CD1 3.89Å; F994-I996 HydrophobicContact CE1-CG1 3.83Å; F994-I996 HydrophobicContact CZ-CD1 4.05Å; F994-I996 HydrophobicContact CZ-CG1 3.74Å; F994-N1038 WeakPolarHBondContact CA-O 3.33Å; F994-N1038 WeakPolarHBondContact CD2-O 3.31Å; F994-L1040 HydrophobicContact CE2-CB 4.06Å; F994-L1040 HydrophobicContact CZ-CB 4.1Å
995S88.5Confident72.2Confident9 Ų971.1 Ų71.16%0.06337%0.371CS..EExtended strand (participates in β ladder)trans-131.3144.1-170.1-630000111.2V941 P993 N1038 L1039 L1040V941-S995 CarbonylContact O-C 3.58Å; V941-S995 WeakPolarHBondContact O-CA 3.32Å; P993-S995 PolarHBondContact O-N 3.41Å; P993-S995 PolarHBondContact O-OG 3Å; S995-N1038 PolarHBondContact N-O 2.82Å; S995-L1039 CarbonylContact O-C 3.51Å; S995-L1039 WeakPolarHBondContact O-CA 3.47Å; S995-L1040 PolarHBondContact O-N 2.99Å
996I90.6Very high69.8Low0 Ų077 Ų770%040%0.402CS..EExtended strand (participates in β ladder)trans-124.1123.5175.2-53.5179.2000109.3T940 V941 Y942 Y943 F946 I953 L956 W957 F994 L1040 L1042T940-I996 HydrophobicContact CG2-CD1 3.76Å; T940-I996 HydrophobicContact CG2-CG1 3.71Å; V941-I996 PolarHBondContact O-N 3.42Å; Y942-I996 CarbonylContact C-O 3.56Å; Y942-I996 WeakPolarHBondContact CA-O 3.32Å; Y942-I996 HydrophobicContact CD1-CB 4.11Å; Y942-I996 HydrophobicContact CE1-CB 4.42Å; Y942-I996 HydrophobicContact CE1-CD1 3.99Å; Y943-I996 PolarHBondContact N-O 2.99Å; F946-I996 HydrophobicContact CD2-CG2 4.04Å; F946-I996 HydrophobicContact CE2-CG2 4.49Å; I953-I996 HydrophobicContact CD1-CD1 4.25Å; I953-I996 HydrophobicContact CD1-CG2 3.87Å; L956-I996 HydrophobicContact CD2-CD1 3.61Å; W957-I996 HydrophobicContact CZ2-CD1 4.35Å; F994-I996 HydrophobicContact CE1-CD1 3.89Å; F994-I996 HydrophobicContact CE1-CG1 3.83Å; F994-I996 HydrophobicContact CZ-CD1 4.05Å; F994-I996 HydrophobicContact CZ-CG1 3.74Å; I996-L1040 CarbonylContact C-O 3.56Å; I996-L1040 WeakPolarHBondContact CA-O 3.44Å; I996-L1040 HydrophobicContact CD1-CD2 4.46Å; I996-L1040 HydrophobicContact CG1-CB 4.25Å; I996-L1040 HydrophobicContact CG1-CD2 4.44Å; I996-L1040 HydrophobicContact CG2-CD2 4.44Å; I996-L1042 HydrophobicContact CG2-CB 4.1Å; I996-L1042 HydrophobicContact CG2-CD2 4.34Å
997R87.8Confident67.5Low142 Ų14282.9 Ų82.954%0.53644%0.435SS..EExtended strand (participates in β ladder)trans-115.4130.6177.7-179.6173.3178.6-179.61.1110.8Y943 V999 L1039 L1040 L1042Y943-R997 WeakPolarHBondContact O-CA 3.42Å; R997-V999 PolarHBondContact O-N 3.49Å; R997-L1039 HydrophobicContact CB-CD1 3.83Å; R997-L1040 PolarHBondContact N-O 3.33Å; R997-L1042 PolarHBondContact O-N 2.78Å
998C83.7Confident65.2Low16 Ų1685.7 Ų85.711%0.10847%0.466CS..EExtended strand (participates in β ladder)trans-65.9131.1167.5-169.70000109.9Y943 G944 F946 L1042Y943-C998 PolarHBondContact O-N 3.3Å; G944-C998 WeakPolarHBondContact O-CB 3.4Å; F946-C998 HydrophobicContact CD1-CB 3.82Å; F946-C998 HydrophobicContact CD2-CB 3.73Å; F946-C998 HydrophobicContact CE1-CB 3.73Å; F946-C998 WeakPolarHBondContact CE1-SG 3.37Å; F946-C998 VanDerWaalsContact CE2-CA 3.48Å; F946-C998 HydrophobicContact CE2-CB 3.64Å; F946-C998 HydrophobicContact CG-CB 3.84Å; F946-C998 HydrophobicContact CZ-CB 3.65Å; F946-C998 WeakPolarHBondContact CZ-SG 3.09Å; C998-L1042 WeakPolarHBondContact CA-O 3.37Å
999V79.4Confident63.3Low24 Ų2490.8 Ų90.815%0.14549%0.485CS..EExtended strand (participates in β ladder)trans-100.6113.9167.8-173.50000107.6R997 K1041 L1042R997-V999 PolarHBondContact O-N 3.49Å; V999-K1041 HydrophobicContact CG2-CB 3.61Å; V999-K1041 HydrophobicContact CG2-CG 4.39Å; V999-L1042 PolarHBondContact N-O 2.84Å; V999-L1042 VanDerWaalsContact N-O 3.16Å
1000E60.4Low61.8Low164 Ų16491.2 Ų91.277%0.76650%0.501SS*.  trans-67132.7170-69.3-175.6172.200109.1S1002E1000-S1002 VanDerWaalsContact C-N 3.33Å; E1000-S1002 PolarHBondContact O-N 2.91Å
1001V50.8Low59.9Low76 Ų7699 Ų9946%0.46154%0.541SS..  trans-83.787.6170.5-175.80000105.6D1003 P1026V1001-D1003 PolarHBondContact O-N 3.2Å; V1001-P1026 HydrophobicContact CB-CB 4.13Å; V1001-P1026 HydrophobicContact CG1-CB 4.1Å; V1001-P1026 HydrophobicContact CG2-CB 3.99Å
1002S42.7Very low59Low96 Ų9693.7 Ų93.767%0.67153%0.533SS*.  trans-72.9115.8162.751.90000107.4E1000 D1004E1000-S1002 VanDerWaalsContact C-N 3.33Å; E1000-S1002 PolarHBondContact O-N 2.91Å; S1002-D1004 PolarHBondContact O-N 3.04Å
1003D43Very low57.6Low140 Ų14097.3 Ų97.375%0.74956%0.559SS**  trans-55.8118.1148.8-68.6-33.6000104.8V1001V1001-D1003 PolarHBondContact O-N 3.2Å
1004D43.8Very low55.9Low132 Ų132100.7 Ų100.771%0.70658%0.578SS**  trans144.182.6163-66.5-15.9000110.8S1002S1002-D1004 PolarHBondContact O-N 3.04Å
1005Q39.1Very low53.7Low197 Ų197108.4 Ų108.492%0.92162%0.619SS**  trans-84.580.7135.8-77.5-174.61.700105.9
1006D33.6Very low51.6Low142 Ų142118.1 Ų118.176%0.75965%0.654SS**  trans-114.9103.7166.9-129.9-1.9000107.3
1007T34Very low49.3Very low142 Ų142121.5 Ų121.587%0.87169%0.689SS**  trans-91.2114.5171.4-15.30000106
1008G37Very low47Very low66 Ų66123.4 Ų123.468%0.6870%0.702SS**  trans121.8111.9160.600000115.7
1009D45.9Very low44.8Very low162 Ų162131.8 Ų131.887%0.86674%0.736SS**  trans-19.2127.1156.1-69.2-40.7000116.6
1010T44.6Very low42.8Very low133 Ų133136.6 Ų136.682%0.81677%0.766SS**  -172.2153.5128.722.10000112G1012T1010-G1012 PolarHBondContact O-N 3.27Å
1011L40.9Very low41.9Very low183 Ų183136.9 Ų136.996%0.95877%0.771SS**THydrogen-bonded Turntrans-54.814.4-178.5-84.3145.2000117.3
1012G47.6Very low41.3Very low52 Ų52144.5 Ų144.554%0.53679%0.792SS.*THydrogen-bonded Turntrans-86.6-9.617700000115.5T1010 V1014T1010-G1012 PolarHBondContact O-N 3.27Å; G1012-V1014 PolarHBondContact O-N 2.94Å
1013S45.8Very low41.5Very low103 Ų103150.1 Ų150.172%0.7280%0.804SS**THydrogen-bonded Turntrans-78.4-12.7-166.8-148.90000115.4
1014V46.4Very low41.4Very low132 Ų132155.3 Ų155.380%0.881%0.813SS**THydrogen-bonded Turntrans-83-13.8-179.6-166.60000112.7G1012G1012-V1014 PolarHBondContact O-N 2.94Å
1015L41.6Very low41.3Very low165 Ų165156.5 Ų156.586%0.86481%0.814SS**SBendtrans-99.7-9-178.4-77.5162.3000114.6
1016R44.8Very low41.6Very low214 Ų214150.4 Ų150.481%0.80879%0.792SS**SBendtrans-93.3-10-178.6-142.7179-169.5-179.83.8114.4F1018R1016-F1018 VanDerWaalsContact C-N 3.26Å; R1016-F1018 PolarHBondContact O-N 3.35Å
1017G42.8Very low42.3Very low71 Ų71145.4 Ų145.473%0.73277%0.774SS**THydrogen-bonded Turntrans-70.8-8.7-178.500000116.2
1018F38.6Very low43.5Very low181 Ų181141.7 Ų141.779%0.79476%0.764SS**THydrogen-bonded Turntrans-101.1-8.7-172.8-89.2-85000116.1R1016R1016-F1018 VanDerWaalsContact C-N 3.26Å; R1016-F1018 PolarHBondContact O-N 3.35Å
1019F38Very low45.2Very low192 Ų192145.2 Ų145.284%0.84276%0.757SS**SBendtrans-146.781.3-179.5-80.5-83.3000113.1
1020T36.3Very low46.9Very low126 Ų126139.3 Ų139.377%0.77373%0.725SS**  trans-160.493.3147.47.60000112.4R1022T1020-R1022 PolarHBondContact O-N 2.91Å
1021I43.3Very low48.9Very low169 Ų169133 Ų13387%0.86769%0.686SS**  trans-70.2113.6149.6-68.9168.3000106.5
1022R36.8Very low51Low236 Ų236126 Ų12689%0.89165%0.651SS**  trans-171.6112.3148.4-104.8164.9-166.2-160.54.4111.8T1020 R1024T1020-R1022 PolarHBondContact O-N 2.91Å; R1022-R1024 PolarHBondContact O-N 2.93Å
1023K48Very low52.6Low215 Ų215123.9 Ų123.994%0.93563%0.628SS**  trans-41.3125.4157.6-87.4170.9165173.40111.4
1024R40.1Very low54.1Low249 Ų249119.6 Ų119.694%0.9460%0.598SS**  trans-136.7138.2149.7-98.6-178.4173.8175.1-2.7109.2R1022R1022-R1024 PolarHBondContact O-N 2.93Å
1025E42.6Very low55.4Low156 Ų156113.9 Ų113.973%0.72956%0.563SS**  trans-75.1139.3-168.1-61.7-170.8150.400112.8G1027E1025-G1027 VanDerWaalsContact C-N 3.31Å; E1025-G1027 PolarHBondContact O-N 3.07Å
1026P45.3Very low56.6Low69 Ų69106.4 Ų106.445%0.44853%0.525SS..  trans-77.978171.331-30.9000109.8V1001V1001-P1026 HydrophobicContact CB-CB 4.13Å; V1001-P1026 HydrophobicContact CG1-CB 4.1Å; V1001-P1026 HydrophobicContact CG2-CB 3.99Å
1027G47.6Very low58Low37 Ų3799.4 Ų99.438%0.38150%0.501SS..  trans-110.5-4.7-172.200000116.8E1025E1025-G1027 VanDerWaalsContact C-N 3.31Å; E1025-G1027 PolarHBondContact O-N 3.07Å
1028G60.1Low59.9Low64 Ų6496 Ų9666%0.6647%0.466SS*.  trans-87.3-46-164.900000116.4
1029R72.8Confident62.1Low140 Ų14088.5 Ų88.553%0.52843%0.433SS..PPolyproline II helixtrans-75.9131.3-164.9-162.4170.6-175.6162.23.9111.8P1043 Y1045R1029-P1043 HydrophobicContact CB-CG 4.34Å; R1029-Y1045 PolarHBondContact O-OH 3.24Å
1030L81.9Confident64.6Low39 Ų3979.3 Ų79.320%0.20439%0.393CS..PPolyproline II helixtrans-73.8155.1172-71.2167.2000110.7T1032 K1054 Y1057 T1063L1030-T1032 PolarHBondContact O-N 2.94Å; L1030-K1054 HydrophobicContact CD2-CB 4.11Å; L1030-K1054 HydrophobicContact CD2-CD 3.54Å; L1030-K1054 HydrophobicContact CD2-CG 4.46Å; L1030-Y1057 HydrophobicContact CD1-CD1 3.77Å; L1030-Y1057 HydrophobicContact CD1-CE1 3.8Å; L1030-Y1057 HydrophobicContact CD2-CD1 3.72Å; L1030-Y1057 HydrophobicContact CD2-CE1 4.48Å; L1030-Y1057 HydrophobicContact CG-CD1 4.43Å; L1030-T1063 HydrophobicContact CD1-CG2 4.4Å
1031P85.8Confident67Low0 Ų076.4 Ų76.40%037%0.37CS..PPolyproline II helixtrans-58.7136.9162.4-14.731.2000108.5L1040 L1042 Y1045 L1055 A1058P1031-L1040 HydrophobicContact CB-CD1 4.29Å; P1031-L1042 HydrophobicContact CB-CD1 4.03Å; P1031-L1042 HydrophobicContact CG-CD1 4.11Å; P1031-Y1045 WeakPolarHBondContact CD-OH 3.41Å; P1031-Y1045 HydrophobicContact CG-CE2 4.24Å; P1031-Y1045 WeakPolarHBondContact CG-OH 3.42Å; P1031-L1055 HydrophobicContact CB-CD1 4.34Å; P1031-L1055 HydrophobicContact CG-CB 4.44Å; P1031-L1055 HydrophobicContact CG-CD1 4.23Å; P1031-A1058 HydrophobicContact CG-CB 4.48Å
1032T83.8Confident69.1Low37 Ų3768.4 Ų68.423%0.22733%0.329CS..EExtended strand (participates in β ladder)trans-123.1152.6176.252.70000108.6L1030 K1041L1030-T1032 PolarHBondContact O-N 2.94Å; T1032-K1041 PolarHBondContact N-O 3.42Å; T1032-K1041 VanDerWaalsContact N-O 3.11Å; T1032-K1041 WeakPolarHBondContact O-CA 3.32Å; T1032-K1041 WeakPolarHBondContact O-CB 3.46Å; T1032-K1041 PolarHBondContact O-N 3.19Å; T1032-K1041 WeakPolarHBondContact OG1-CB 3.38Å
1033S82Confident71.5Confident6 Ų657.4 Ų57.44%0.04229%0.288CS..EExtended strand (participates in β ladder)trans-116.2158175.856.40000111.4F975 L1039F975-S1033 WeakPolarHBondContact O-CB 3.13Å; F975-S1033 PolarHBondContact O-OG 2.73Å; S1033-L1039 CarbonylContact C-O 3.54Å; S1033-L1039 VanDerWaalsContact CA-O 3.29Å; S1033-L1039 WeakPolarHBondContact CA-O 3.48Å
1034S78Confident73.3Confident13 Ų1350.7 Ų50.79%0.09126%0.262CS..EExtended strand (participates in β ladder)trans-12687.3162.9-58.20000105.9C1036 F1037 N1038 L1039 K1041S1034-C1036 PolarHBondContact O-N 3.48Å; S1034-F1037 PolarHBondContact O-N 3.18Å; S1034-N1038 PolarHBondContact O-N 3.28Å; S1034-L1039 PolarHBondContact N-O 3.24Å; S1034-L1039 PolarHBondContact O-N 3.22Å; S1034-K1041 VanDerWaalsContact OG-CE 3.27Å; S1034-K1041 WeakPolarHBondContact OG-CE 3.31Å; S1034-K1041 PolarHBondContact OG-NZ 3.08Å; S1034-K1041 VanDerWaalsContact OG-NZ 3.13Å
1035T72.9Confident75.4Confident12 Ų1239.1 Ų39.17%0.07422%0.219CC..G310 helixtrans-58-28.1-17449.50000112.8K732 F975 F1037 N1038 F1065K732-T1035 PolarHBondContact NZ-O 2.91Å; F975-T1035 WeakPolarHBondContact O-CG2 3.37Å; T1035-F1037 VanDerWaalsContact C-N 3.26Å; T1035-F1037 PolarHBondContact O-N 2.83Å; T1035-N1038 PolarHBondContact O-N 3Å; T1035-N1038 VanDerWaalsContact O-N 3.16Å; T1035-N1038 PolarHBondContact O-OD1 3.31Å; T1035-F1065 HydrophobicContact CG2-CZ 4.5Å
1036C67.4Low77.3Confident9 Ų934.7 Ų34.76%0.06121%0.205CC..G310 helixtrans-52.5-43.2171.9-38.70000111.7G729 E733 S1034G729-C1036 WeakPolarHBondContact CA-O 3.47Å; G729-C1036 VanDerWaalsContact O-CB 3.31Å; G729-C1036 WeakPolarHBondContact O-CB 3.5Å; E733-C1036 HydrophobicContact CB-CB 4.4Å; E733-C1036 VanDerWaalsContact CB-SG 3.59Å; E733-C1036 VanDerWaalsContact CD-SG 3.57Å; E733-C1036 PolarHBondContact OE2-SG 3Å; S1034-C1036 PolarHBondContact O-N 3.48Å
1037F73.6Confident79.3Confident67 Ų6737 Ų3729%0.29421%0.208SC..G310 helixtrans-103.27.6-178.8-54.8-77.8000113.2Q727 G729 S1034 T1035 L1039Q727-F1037 WeakPolarHBondContact O-CD1 3.4Å; Q727-F1037 WeakPolarHBondContact O-CE1 3.42Å; G729-F1037 VanDerWaalsContact N-CE1 3.33Å; S1034-F1037 PolarHBondContact O-N 3.18Å; T1035-F1037 VanDerWaalsContact C-N 3.26Å; T1035-F1037 PolarHBondContact O-N 2.83Å; F1037-L1039 HydrophobicContact CB-CB 3.99Å; F1037-L1039 PolarHBondContact O-N 3.41Å
1038N83.3Confident81.2Confident0 Ų038.2 Ų38.20%020%0.203CC..THydrogen-bonded Turntrans47.442.4-167.3-60.1-42.6000111.7K732 V976 T977 L990 P992 F994 S995 S1034 T1035K732-N1038 PolarHBondContact NZ-OD1 3.24Å; V976-N1038 WeakPolarHBondContact O-CA 3.24Å; T977-N1038 WeakPolarHBondContact CA-OD1 3.07Å; T977-N1038 WeakPolarHBondContact CB-OD1 3.47Å; T977-N1038 HydrophobicContact CG2-CB 4.3Å; L990-N1038 HydrophobicContact CD2-CB 4.18Å; L990-N1038 WeakPolarHBondContact CG-ND2 3.42Å; P992-N1038 PolarHBondContact O-ND2 2.89Å; F994-N1038 WeakPolarHBondContact CA-O 3.33Å; F994-N1038 WeakPolarHBondContact CD2-O 3.31Å; S995-N1038 PolarHBondContact N-O 2.82Å; S1034-N1038 PolarHBondContact O-N 3.28Å; T1035-N1038 PolarHBondContact O-N 3Å; T1035-N1038 VanDerWaalsContact O-N 3.16Å; T1035-N1038 PolarHBondContact O-OD1 3.31Å
1039L84.8Confident82.5Confident22 Ų2237.7 Ų37.712%0.11519%0.189CC..EExtended strand (participates in β ladder)trans-107.8122-170.5176.366000111.4S995 R997 S1033 S1034 F1037 K1041S995-L1039 CarbonylContact O-C 3.51Å; S995-L1039 WeakPolarHBondContact O-CA 3.47Å; R997-L1039 HydrophobicContact CB-CD1 3.83Å; S1033-L1039 CarbonylContact C-O 3.54Å; S1033-L1039 VanDerWaalsContact CA-O 3.29Å; S1033-L1039 WeakPolarHBondContact CA-O 3.48Å; S1034-L1039 PolarHBondContact N-O 3.24Å; S1034-L1039 PolarHBondContact O-N 3.22Å; F1037-L1039 HydrophobicContact CB-CB 3.99Å; F1037-L1039 PolarHBondContact O-N 3.41Å; L1039-K1041 HydrophobicContact CD2-CG 4.22Å; L1039-K1041 HydrophobicContact CG-CG 4.31Å
1040L89.4Confident83.1Confident0 Ų032.9 Ų32.90%018%0.175CC..EExtended strand (participates in β ladder)trans-93.1115.2167-179.765.7000110L956 F972 F975 V976 F994 S995 I996 R997 P1031 L1042L956-L1040 HydrophobicContact CD2-CD2 3.93Å; F972-L1040 HydrophobicContact CE2-CD2 4.11Å; F972-L1040 HydrophobicContact CZ-CD2 4.3Å; F975-L1040 HydrophobicContact CD1-CD1 4.44Å; F975-L1040 HydrophobicContact CE1-CD1 3.83Å; V976-L1040 HydrophobicContact CG1-CB 4.01Å; V976-L1040 HydrophobicContact CG1-CD1 3.97Å; V976-L1040 HydrophobicContact CG1-CG 4.41Å; F994-L1040 HydrophobicContact CE2-CB 4.06Å; F994-L1040 HydrophobicContact CZ-CB 4.1Å; S995-L1040 PolarHBondContact O-N 2.99Å; I996-L1040 CarbonylContact C-O 3.56Å; I996-L1040 WeakPolarHBondContact CA-O 3.44Å; I996-L1040 HydrophobicContact CD1-CD2 4.46Å; I996-L1040 HydrophobicContact CG1-CB 4.25Å; I996-L1040 HydrophobicContact CG1-CD2 4.44Å; I996-L1040 HydrophobicContact CG2-CD2 4.44Å; R997-L1040 PolarHBondContact N-O 3.33Å; P1031-L1040 HydrophobicContact CB-CD1 4.29Å; L1040-L1042 HydrophobicContact CD2-CB 4.46Å; L1040-L1042 HydrophobicContact CG-CB 4.27Å
1041K87.3Confident83.5Confident65 Ų6531 Ų3128%0.28317%0.165SC..EExtended strand (participates in β ladder)trans-89.4104.3171.7-65175.3-174.5166.90108.1V999 T1032 S1034 L1039V999-K1041 HydrophobicContact CG2-CB 3.61Å; V999-K1041 HydrophobicContact CG2-CG 4.39Å; T1032-K1041 PolarHBondContact N-O 3.42Å; T1032-K1041 VanDerWaalsContact N-O 3.11Å; T1032-K1041 WeakPolarHBondContact O-CA 3.32Å; T1032-K1041 WeakPolarHBondContact O-CB 3.46Å; T1032-K1041 PolarHBondContact O-N 3.19Å; T1032-K1041 WeakPolarHBondContact OG1-CB 3.38Å; S1034-K1041 VanDerWaalsContact OG-CE 3.27Å; S1034-K1041 WeakPolarHBondContact OG-CE 3.31Å; S1034-K1041 PolarHBondContact OG-NZ 3.08Å; S1034-K1041 VanDerWaalsContact OG-NZ 3.13Å; L1039-K1041 HydrophobicContact CD2-CG 4.22Å; L1039-K1041 HydrophobicContact CG-CG 4.31Å
1042L87.5Confident83.7Confident0 Ų034.8 Ų34.80%018%0.18CC..EExtended strand (participates in β ladder)trans-115.1119.4-169.6-173.668.9000111.4F946 V952 I953 L956 I996 R997 C998 V999 P1031 L1040 Y1045 L1051F946-L1042 HydrophobicContact CE2-CB 4.02Å; F946-L1042 HydrophobicContact CE2-CD2 4.19Å; F946-L1042 HydrophobicContact CE2-CG 4.3Å; F946-L1042 WeakPolarHBondContact CE2-O 3.13Å; V952-L1042 HydrophobicContact CG1-CD2 3.78Å; V952-L1042 HydrophobicContact CG1-CG 4.29Å; I953-L1042 HydrophobicContact CD1-CD2 4.33Å; L956-L1042 HydrophobicContact CD2-CD2 4.2Å; I996-L1042 HydrophobicContact CG2-CB 4.1Å; I996-L1042 HydrophobicContact CG2-CD2 4.34Å; R997-L1042 PolarHBondContact O-N 2.78Å; C998-L1042 WeakPolarHBondContact CA-O 3.37Å; V999-L1042 PolarHBondContact N-O 2.84Å; V999-L1042 VanDerWaalsContact N-O 3.16Å; P1031-L1042 HydrophobicContact CB-CD1 4.03Å; P1031-L1042 HydrophobicContact CG-CD1 4.11Å; L1040-L1042 HydrophobicContact CD2-CB 4.46Å; L1040-L1042 HydrophobicContact CG-CB 4.27Å; L1042-Y1045 HydrophobicContact CD1-CE2 3.99Å; L1042-L1051 HydrophobicContact CD1-CD1 3.69Å
1043P87.7Confident83.9Confident6 Ų638.7 Ų38.74%0.03920%0.195CC..EExtended strand (participates in β ladder)trans-64.3150.8172.9-23.634.4000112.8R1029 Y1045R1029-P1043 HydrophobicContact CB-CG 4.34Å; P1043-Y1045 VanDerWaalsContact C-N 3.3Å; P1043-Y1045 HydrophobicContact CB-CD2 4.43Å; P1043-Y1045 HydrophobicContact CB-CE1 4.13Å; P1043-Y1045 HydrophobicContact CB-CE2 4.03Å; P1043-Y1045 HydrophobicContact CG-CE1 4.4Å; P1043-Y1045 HydrophobicContact CG-CE2 4.16Å; P1043-Y1045 VanDerWaalsContact O-CD2 3.24Å; P1043-Y1045 WeakPolarHBondContact O-CD2 3.49Å; P1043-Y1045 PolarHBondContact O-N 3.49Å
1044N84.8Confident84.2Confident74 Ų7441.5 Ų41.540%0.39621%0.207SC..  trans-77.976174.9-168.79.7000111.5F946 H950 V952F946-N1044 HydrophobicContact CZ-CB 4.48Å; H950-N1044 PolarHBondContact CE1-OD1 3.43Å; V952-N1044 VanDerWaalsContact CG2-OD1 3.27Å; V952-N1044 WeakPolarHBondContact CG2-OD1 3.33Å
1045Y85.2Confident84.7Confident5 Ų540.9 Ų40.92%0.0220%0.202CC..  trans-63.8144.2-178.4-63.8-72.4000113W955 R1029 P1031 L1042 P1043 V1050 L1051 K1054W955-Y1045 WeakPolarHBondContact CZ3-O 3.48Å; R1029-Y1045 PolarHBondContact O-OH 3.24Å; P1031-Y1045 WeakPolarHBondContact CD-OH 3.41Å; P1031-Y1045 HydrophobicContact CG-CE2 4.24Å; P1031-Y1045 WeakPolarHBondContact CG-OH 3.42Å; L1042-Y1045 HydrophobicContact CD1-CE2 3.99Å; P1043-Y1045 VanDerWaalsContact C-N 3.3Å; P1043-Y1045 HydrophobicContact CB-CD2 4.43Å; P1043-Y1045 HydrophobicContact CB-CE1 4.13Å; P1043-Y1045 HydrophobicContact CB-CE2 4.03Å; P1043-Y1045 HydrophobicContact CG-CE1 4.4Å; P1043-Y1045 HydrophobicContact CG-CE2 4.16Å; P1043-Y1045 VanDerWaalsContact O-CD2 3.24Å; P1043-Y1045 WeakPolarHBondContact O-CD2 3.49Å; P1043-Y1045 PolarHBondContact O-N 3.49Å; Y1045-V1050 HydrophobicContact CD1-CG1 3.78Å; Y1045-V1050 HydrophobicContact CE1-CG1 4.24Å; Y1045-L1051 HydrophobicContact CD2-CB 3.9Å; Y1045-L1051 HydrophobicContact CD2-CD1 3.65Å; Y1045-L1051 HydrophobicContact CD2-CG 4.32Å; Y1045-L1051 HydrophobicContact CE2-CD1 3.7Å; Y1045-L1051 HydrophobicContact CG-CB 4.29Å; Y1045-K1054 HydrophobicContact CE1-CB 4.47Å; Y1045-K1054 HydrophobicContact CE1-CG 4.33Å
1046S81.9Confident85.6Confident64 Ų6444 Ų4445%0.44821%0.213SC..SBendtrans-79.7-22-179.259.10000114.3
1047K86.8Confident86.6Confident117 Ų11749.2 Ų49.251%0.50923%0.232SC..  trans-137.5142.5-175.9-64.4176.9-177168.60111.9S1049 V1050 L1051K1047-S1049 PolarHBondContact O-N 3.17Å; K1047-V1050 HydrophobicContact CB-CB 4.46Å; K1047-V1050 HydrophobicContact CB-CG2 4.02Å; K1047-V1050 PolarHBondContact O-N 3.37Å; K1047-L1051 PolarHBondContact O-N 3.04Å
1048K87.9Confident87.1Confident62 Ų6246 Ų4627%0.2722%0.218SC..Hα-helixtrans-58.8-41.6176-176.1-178.2177.4-161.20112.8W955 D958 I959 D963 V1050 L1051 R1052W955-K1048 HydrophobicContact CB-CB 4.44Å; W955-K1048 HydrophobicContact CB-CG 4.05Å; W955-K1048 HydrophobicContact CD2-CB 3.84Å; W955-K1048 HydrophobicContact CD2-CG 4.4Å; W955-K1048 HydrophobicContact CE3-CB 4.21Å; W955-K1048 HydrophobicContact CG-CB 3.93Å; W955-K1048 HydrophobicContact CG-CD 4.39Å; W955-K1048 HydrophobicContact CG-CG 3.97Å; D958-K1048 VanDerWaalsContact CG-NZ 3.29Å; D958-K1048 IonicContact OD1-NZ 2.94Å; D958-K1048 WeakPolarHBondContact OD2-CE 3.39Å; D958-K1048 IonicContact OD2-NZ 3.67Å; D958-K1048 PolarHBondContact OD2-NZ 3.3Å; I959-K1048 HydrophobicContact CD1-CG 3.99Å; I959-K1048 HydrophobicContact CG1-CG 4.21Å; D963-K1048 IonicContact OD2-NZ 3.53Å; K1048-V1050 VanDerWaalsContact C-N 3.32Å; K1048-V1050 PolarHBondContact O-N 3Å; K1048-L1051 PolarHBondContact O-N 3.17Å; K1048-R1052 PolarHBondContact O-N 3.04Å
1049S87.1Confident87.4Confident53 Ų5346.4 Ų46.437%0.37122%0.22SC..Hα-helixtrans-61.5-39.7179.955.50000112.7K1047 R1052 E1053K1047-S1049 PolarHBondContact O-N 3.17Å; S1049-R1052 PolarHBondContact O-N 3.07Å; S1049-E1053 PolarHBondContact O-N 3.35Å
1050V86.8Confident87.2Confident39 Ų3948.5 Ų48.524%0.23624%0.236CC..Hα-helixtrans-65.5-44.7177.8178.10000110.6Y1045 K1047 K1048 R1052 K1054Y1045-V1050 HydrophobicContact CD1-CG1 3.78Å; Y1045-V1050 HydrophobicContact CE1-CG1 4.24Å; K1047-V1050 HydrophobicContact CB-CB 4.46Å; K1047-V1050 HydrophobicContact CB-CG2 4.02Å; K1047-V1050 PolarHBondContact O-N 3.37Å; K1048-V1050 VanDerWaalsContact C-N 3.32Å; K1048-V1050 PolarHBondContact O-N 3Å; V1050-R1052 VanDerWaalsContact C-N 3.33Å; V1050-R1052 PolarHBondContact O-N 3.5Å; V1050-K1054 HydrophobicContact CG1-CG 4.1Å; V1050-K1054 VanDerWaalsContact O-CB 3.22Å; V1050-K1054 WeakPolarHBondContact O-CB 3.47Å; V1050-K1054 WeakPolarHBondContact O-CG 3.5Å; V1050-K1054 PolarHBondContact O-N 2.96Å
1051L89.1Confident86.5Confident0 Ų053.8 Ų53.80%026%0.262CS..Hα-helixtrans-57.6-46.3173.6170.760.4000111.2V952 W955 L956 I959 L1042 Y1045 K1047 K1048 L1055V952-L1051 HydrophobicContact CG1-CD2 4.15Å; W955-L1051 HydrophobicContact CB-CD2 3.8Å; L956-L1051 HydrophobicContact CB-CD2 4.24Å; I959-L1051 HydrophobicContact CD1-CB 4.09Å; I959-L1051 HydrophobicContact CD1-CD2 3.73Å; I959-L1051 HydrophobicContact CD1-CG 3.65Å; L1042-L1051 HydrophobicContact CD1-CD1 3.69Å; Y1045-L1051 HydrophobicContact CD2-CB 3.9Å; Y1045-L1051 HydrophobicContact CD2-CD1 3.65Å; Y1045-L1051 HydrophobicContact CD2-CG 4.32Å; Y1045-L1051 HydrophobicContact CE2-CD1 3.7Å; Y1045-L1051 HydrophobicContact CG-CB 4.29Å; K1047-L1051 PolarHBondContact O-N 3.04Å; K1048-L1051 PolarHBondContact O-N 3.17Å; L1051-L1055 HydrophobicContact CD1-CB 4.48Å; L1051-L1055 WeakPolarHBondContact O-CB 3.05Å; L1051-L1055 PolarHBondContact O-N 3.02Å
1052R91.2Very high85.3Confident79 Ų7953.5 Ų53.530%0.29826%0.264SS..Hα-helixtrans-60.1-51.8-179.2-176.1-17966.8-178.41.4112.2I959 D963 F964 K1048 S1049 V1050 R1056I959-R1052 HydrophobicContact CD1-CB 3.75Å; I959-R1052 HydrophobicContact CG1-CB 4.05Å; I959-R1052 HydrophobicContact CG1-CG 4.38Å; I959-R1052 HydrophobicContact CG2-CB 4.25Å; I959-R1052 HydrophobicContact CG2-CG 3.96Å; D963-R1052 HydrophobicContact CB-CG 4.42Å; D963-R1052 WeakPolarHBondContact OD1-CD 3.42Å; D963-R1052 IonicContact OD1-CZ 2.83Å; D963-R1052 IonicContact OD1-NH1 3.86Å; D963-R1052 PolarHBondContact OD1-NH1 3Å; F964-R1052 HydrophobicContact CE1-CG 4.45Å; K1048-R1052 PolarHBondContact O-N 3.04Å; S1049-R1052 PolarHBondContact O-N 3.07Å; V1050-R1052 VanDerWaalsContact C-N 3.33Å; V1050-R1052 PolarHBondContact O-N 3.5Å; R1052-R1056 VanDerWaalsContact O-CB 3.27Å; R1052-R1056 WeakPolarHBondContact O-CB 3.18Å; R1052-R1056 PolarHBondContact O-N 3.44Å
1053E88.1Confident83.7Confident120 Ų12055.7 Ų55.756%0.56128%0.278SS*.Hα-helixtrans-64.9-44.5-178.5-73.7168.5-163.100111.7S1049 Y1057S1049-E1053 PolarHBondContact O-N 3.35Å; E1053-Y1057 VanDerWaalsContact O-CB 3.32Å; E1053-Y1057 WeakPolarHBondContact O-CB 3.27Å; E1053-Y1057 PolarHBondContact O-N 3.14Å
1054K87.7Confident81.7Confident64 Ų6456.3 Ų56.328%0.27829%0.285SS..Hα-helixtrans-69.2-37.6-180-67-78179.4173.70112.3L1030 Y1045 V1050 A1058L1030-K1054 HydrophobicContact CD2-CB 4.11Å; L1030-K1054 HydrophobicContact CD2-CD 3.54Å; L1030-K1054 HydrophobicContact CD2-CG 4.46Å; Y1045-K1054 HydrophobicContact CE1-CB 4.47Å; Y1045-K1054 HydrophobicContact CE1-CG 4.33Å; V1050-K1054 HydrophobicContact CG1-CG 4.1Å; V1050-K1054 VanDerWaalsContact O-CB 3.22Å; V1050-K1054 WeakPolarHBondContact O-CB 3.47Å; V1050-K1054 WeakPolarHBondContact O-CG 3.5Å; V1050-K1054 PolarHBondContact O-N 2.96Å; K1054-A1058 VanDerWaalsContact O-CB 3.32Å; K1054-A1058 WeakPolarHBondContact O-CB 3.27Å; K1054-A1058 PolarHBondContact O-N 3.38Å
1055L89.3Confident79.8Confident0 Ų056.7 Ų56.70%028%0.283CS..Hα-helixtrans-67.3-48175.1-176.564.6000111.2L956 L960 F964 F972 P1031 L1051 Y1057 A1058 I1059L956-L1055 HydrophobicContact CD1-CD2 3.48Å; L956-L1055 VanDerWaalsContact CD1-CD2 3.48Å; L960-L1055 HydrophobicContact CD2-CD2 4.44Å; F964-L1055 HydrophobicContact CE2-CD2 4Å; F964-L1055 HydrophobicContact CE2-CG 4.18Å; F964-L1055 HydrophobicContact CZ-CB 4.35Å; F964-L1055 HydrophobicContact CZ-CD2 3.88Å; F964-L1055 HydrophobicContact CZ-CG 3.95Å; F972-L1055 HydrophobicContact CD2-CD1 4.15Å; F972-L1055 HydrophobicContact CE2-CD1 4.21Å; P1031-L1055 HydrophobicContact CB-CD1 4.34Å; P1031-L1055 HydrophobicContact CG-CB 4.44Å; P1031-L1055 HydrophobicContact CG-CD1 4.23Å; L1051-L1055 HydrophobicContact CD1-CB 4.48Å; L1051-L1055 WeakPolarHBondContact O-CB 3.05Å; L1051-L1055 PolarHBondContact O-N 3.02Å; L1055-Y1057 VanDerWaalsContact C-N 3.29Å; L1055-Y1057 PolarHBondContact O-N 3.37Å; L1055-A1058 PolarHBondContact O-N 3.25Å; L1055-A1058 VanDerWaalsContact O-N 3.13Å; L1055-I1059 HydrophobicContact CD1-CG2 4.22Å; L1055-I1059 WeakPolarHBondContact O-CG1 3.46Å; L1055-I1059 WeakPolarHBondContact O-CG2 3.42Å; L1055-I1059 PolarHBondContact O-N 3.47Å
1056R90.6Very high77.5Confident77 Ų7765.4 Ų65.429%0.29132%0.324SS..Hα-helixtrans-58.8-41.3176.6-179.1173.4-81.4141-2.9111.7D963 F964 E968 R1052 I1059 S1060D963-R1056 PolarHBondContact O-NH2 2.76Å; F964-R1056 HydrophobicContact CE1-CB 4.18Å; F964-R1056 HydrophobicContact CZ-CB 4.12Å; E968-R1056 WeakPolarHBondContact OE1-CD 3.28Å; E968-R1056 IonicContact OE1-CZ 2.91Å; E968-R1056 IonicContact OE1-NE 3.99Å; E968-R1056 PolarHBondContact OE1-NE 2.92Å; E968-R1056 IonicContact OE1-NH2 2.72Å; E968-R1056 PolarHBondContact OE1-NH2 3.49Å; E968-R1056 IonicContact OE2-CZ 2.87Å; E968-R1056 IonicContact OE2-NE 3.6Å; E968-R1056 IonicContact OE2-NH2 3.86Å; E968-R1056 PolarHBondContact OE2-NH2 3.04Å; R1052-R1056 VanDerWaalsContact O-CB 3.27Å; R1052-R1056 WeakPolarHBondContact O-CB 3.18Å; R1052-R1056 PolarHBondContact O-N 3.44Å; R1056-I1059 VanDerWaalsContact O-CG1 3.32Å; R1056-I1059 WeakPolarHBondContact O-CG1 3.34Å; R1056-S1060 WeakPolarHBondContact O-CB 3.46Å; R1056-S1060 PolarHBondContact O-N 3.47Å; R1056-S1060 PolarHBondContact O-OG 2.91Å
1057Y87.8Confident75Confident120 Ų12070.4 Ų70.447%0.47135%0.345SS..Hα-helixtrans-63.6-45.9173.5-173.6-91000112.1L1030 E1053 L1055 I1059 S1060 M1061L1030-Y1057 HydrophobicContact CD1-CD1 3.77Å; L1030-Y1057 HydrophobicContact CD1-CE1 3.8Å; L1030-Y1057 HydrophobicContact CD2-CD1 3.72Å; L1030-Y1057 HydrophobicContact CD2-CE1 4.48Å; L1030-Y1057 HydrophobicContact CG-CD1 4.43Å; E1053-Y1057 VanDerWaalsContact O-CB 3.32Å; E1053-Y1057 WeakPolarHBondContact O-CB 3.27Å; E1053-Y1057 PolarHBondContact O-N 3.14Å; L1055-Y1057 VanDerWaalsContact C-N 3.29Å; L1055-Y1057 PolarHBondContact O-N 3.37Å; Y1057-I1059 PolarHBondContact O-N 3.1Å; Y1057-S1060 WeakPolarHBondContact CA-OG 3.48Å; Y1057-S1060 PolarHBondContact O-N 3.49Å; Y1057-S1060 PolarHBondContact O-OG 3.47Å; Y1057-M1061 HydrophobicContact CD1-CG 4.3Å; Y1057-M1061 HydrophobicContact CD2-CG 4.3Å; Y1057-M1061 HydrophobicContact CE1-CB 4.35Å; Y1057-M1061 HydrophobicContact CE1-CG 3.94Å; Y1057-M1061 HydrophobicContact CE2-CE 4.32Å; Y1057-M1061 HydrophobicContact CE2-CG 3.95Å; Y1057-M1061 HydrophobicContact CG-CG 4.47Å; Y1057-M1061 WeakPolarHBondContact O-CB 3.41Å; Y1057-M1061 WeakPolarHBondContact O-CG 3.24Å; Y1057-M1061 PolarHBondContact O-N 3.03Å
1058A85.3Confident72.2Confident0 Ų070.8 Ų70.80%036%0.362CS..Hα-helixtrans-64.7-40.8-178.300000113.4F975 P1031 K1054 L1055 N1062 T1063F975-A1058 HydrophobicContact CE2-CB 4.35Å; F975-A1058 HydrophobicContact CZ-CB 4.06Å; P1031-A1058 HydrophobicContact CG-CB 4.48Å; K1054-A1058 VanDerWaalsContact O-CB 3.32Å; K1054-A1058 WeakPolarHBondContact O-CB 3.27Å; K1054-A1058 PolarHBondContact O-N 3.38Å; L1055-A1058 PolarHBondContact O-N 3.25Å; L1055-A1058 VanDerWaalsContact O-N 3.13Å; A1058-N1062 WeakPolarHBondContact O-CA 3.45Å; A1058-N1062 PolarHBondContact O-N 3.3Å; A1058-T1063 WeakPolarHBondContact CA-OG1 3.23Å; A1058-T1063 PolarHBondContact O-N 3.05Å
1059I88.7Confident71.4Confident7 Ų771.3 Ų71.34%0.03637%0.367CS..Hα-helixtrans-72.2-31.2178.666.6170.8000112.6F964 E968 M971 F972 F975 L1055 R1056 Y1057F964-I1059 HydrophobicContact CD2-CD1 4.13Å; F964-I1059 HydrophobicContact CE2-CD1 3.51Å; F964-I1059 HydrophobicContact CZ-CD1 4.07Å; E968-I1059 HydrophobicContact CB-CD1 4.34Å; E968-I1059 WeakPolarHBondContact O-CD1 3.3Å; M971-I1059 HydrophobicContact CB-CB 4.43Å; M971-I1059 HydrophobicContact CB-CD1 4.22Å; F972-I1059 HydrophobicContact CB-CG2 4.23Å; F972-I1059 HydrophobicContact CD2-CG2 4.19Å; F975-I1059 HydrophobicContact CB-CB 4.26Å; F975-I1059 HydrophobicContact CB-CG2 3.82Å; F975-I1059 HydrophobicContact CD1-CG2 3.86Å; F975-I1059 HydrophobicContact CG-CB 4.48Å; F975-I1059 HydrophobicContact CG-CG2 3.83Å; L1055-I1059 HydrophobicContact CD1-CG2 4.22Å; L1055-I1059 WeakPolarHBondContact O-CG1 3.46Å; L1055-I1059 WeakPolarHBondContact O-CG2 3.42Å; L1055-I1059 PolarHBondContact O-N 3.47Å; R1056-I1059 VanDerWaalsContact O-CG1 3.32Å; R1056-I1059 WeakPolarHBondContact O-CG1 3.34Å; Y1057-I1059 PolarHBondContact O-N 3.1Å
1060S81.9Confident70.6Confident66 Ų6672.2 Ų72.246%0.46237%0.367SS..Hα-helixtrans-80-34.8-180520000112.6R1056 Y1057R1056-S1060 WeakPolarHBondContact O-CB 3.46Å; R1056-S1060 PolarHBondContact O-N 3.47Å; R1056-S1060 PolarHBondContact O-OG 2.91Å; Y1057-S1060 WeakPolarHBondContact CA-OG 3.48Å; Y1057-S1060 PolarHBondContact O-N 3.49Å; Y1057-S1060 PolarHBondContact O-OG 3.47Å
1061M74.4Confident69.7Low111 Ų11174.1 Ų74.155%0.54737%0.374SS..THydrogen-bonded Turntrans-90.4-1.5177.7-64.9-67.9162.100113.1Y1057 T1063Y1057-M1061 HydrophobicContact CD1-CG 4.3Å; Y1057-M1061 HydrophobicContact CD2-CG 4.3Å; Y1057-M1061 HydrophobicContact CE1-CB 4.35Å; Y1057-M1061 HydrophobicContact CE1-CG 3.94Å; Y1057-M1061 HydrophobicContact CE2-CE 4.32Å; Y1057-M1061 HydrophobicContact CE2-CG 3.95Å; Y1057-M1061 HydrophobicContact CG-CG 4.47Å; Y1057-M1061 WeakPolarHBondContact O-CB 3.41Å; Y1057-M1061 WeakPolarHBondContact O-CG 3.24Å; Y1057-M1061 PolarHBondContact O-N 3.03Å; M1061-T1063 HydrophobicContact CB-CG2 3.7Å; M1061-T1063 PolarHBondContact O-N 2.82Å; M1061-T1063 VanDerWaalsContact O-N 3.1Å
1062N62.5Low68.6Low60 Ų6078.4 Ų78.432%0.32140%0.396SS..THydrogen-bonded Turntrans50.535.7-179.3-135.817.5000112.9A1058 G1064 F1065A1058-N1062 WeakPolarHBondContact O-CA 3.45Å; A1058-N1062 PolarHBondContact O-N 3.3Å; N1062-G1064 PolarHBondContact O-N 2.82Å; N1062-F1065 HydrophobicContact CB-CD2 4.43Å; N1062-F1065 VanDerWaalsContact CG-CE2 3.47Å; N1062-F1065 WeakPolarHBondContact ND2-CE2 3.27Å; N1062-F1065 WeakPolarHBondContact OD1-CE2 3.5Å
1063T53.5Low67.2Low46 Ų4678.4 Ų78.428%0.28240%0.402SS..THydrogen-bonded Turntrans-73.193.2-172.750.90000110.3F975 L1030 A1058 M1061F975-T1063 WeakPolarHBondContact CE2-O 3.16Å; L1030-T1063 HydrophobicContact CD1-CG2 4.4Å; A1058-T1063 WeakPolarHBondContact CA-OG1 3.23Å; A1058-T1063 PolarHBondContact O-N 3.05Å; M1061-T1063 HydrophobicContact CB-CG2 3.7Å; M1061-T1063 PolarHBondContact O-N 2.82Å; M1061-T1063 VanDerWaalsContact O-N 3.1Å
1064G45.8Very low65.8Low18 Ų1875.6 Ų75.619%0.18639%0.392CS..THydrogen-bonded Turntrans178-19.7-177.900000114.5N1062N1062-G1064 PolarHBondContact O-N 2.82Å
1065F45.4Very low64.2Low83 Ų8376.4 Ų76.436%0.36440%0.4SS..SBendtrans-76.9-23.2-178.9-73.4-86.3000114.5T1035 N1062T1035-F1065 HydrophobicContact CG2-CZ 4.5Å; N1062-F1065 HydrophobicContact CB-CD2 4.43Å; N1062-F1065 VanDerWaalsContact CG-CE2 3.47Å; N1062-F1065 WeakPolarHBondContact ND2-CE2 3.27Å; N1062-F1065 WeakPolarHBondContact OD1-CE2 3.5Å
1066E35.2Very low62.3Low187 Ų18782.3 Ų82.387%0.87443%0.431SS*.SBendtrans-104.1-7.4-169.2-66.7-174.9165.600115.7
1067L30.6Very low59.9Low169 Ų16982.8 Ų82.889%0.88544%0.442SS*.  trans-133.440.5-168.7-76.5160.5000113.5
1068S28.1Very low57.4Low126 Ų12679.4 Ų79.488%0.88144%0.44SS*.  trans-84.10166.4-56.60000110.7

Retrieved 1,068 of 1,068 residues in 547.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).