A0A3B3VL32_9TELE Loading...

Transcription initiation factor TFIID subunit 6

AlphaFold DB , UniProt , Accession A0A3B3VL32, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 637 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.2Very low46.8Very low245 Ų245177.1 Ų177.1100%1.20786%0.864SS**  0118.80-66.8177.3-75.500107.6
2A39.2Very low48.6Very low100 Ų100170.1 Ų170.183%0.82684%0.839SS**  trans-112120162.100000105.3E4A2-E4 VanDerWaalsContact C-N 3.33Å; A2-E4 PolarHBondContact O-N 2.64Å
3E38.6Very low50.6Low190 Ų190162.2 Ų162.289%0.88881%0.811SS**  trans-69.799169.9-77.8-173.7113.400107.9R5E3-R5 PolarHBondContact O-N 2.79Å
4E41.8Very low52.8Low171 Ų171154.6 Ų154.680%0.79977%0.774SS**  trans-54105.2162.1-177.5175.3-139.500106.9A2 R6A2-E4 VanDerWaalsContact C-N 3.33Å; A2-E4 PolarHBondContact O-N 2.64Å; E4-R6 PolarHBondContact O-N 3.43Å
5R47.7Very low54.9Low234 Ų234149.5 Ų149.588%0.88376%0.756SS**  trans-68.675.2175.5-79.7-173.3172.6-176.3-1.8108.6E3 Q7E3-R5 PolarHBondContact O-N 2.79Å; R5-Q7 PolarHBondContact O-N 3.03Å
6R46.5Very low56.7Low226 Ų226142.3 Ų142.385%0.85372%0.722SS**  trans-49.5104.1172.8-154.1176.4-169-174.52.5106.1E4 K8E4-R6 PolarHBondContact O-N 3.43Å; R6-K8 PolarHBondContact O-N 3.47Å
7Q49.4Very low58.3Low178 Ų178140.1 Ų140.183%0.83271%0.708SS**  trans-58.9110.5-179.7-74.7174.8-50.900105.9R5 Q9R5-Q7 PolarHBondContact O-N 3.03Å; Q7-Q9 PolarHBondContact O-N 3.14Å
8K50.8Low59.8Low202 Ų202135.1 Ų135.188%0.87869%0.689SS**  trans-52.9114.3170.4-72.2-174.8175.8-175.30105R6 C10R6-K8 PolarHBondContact O-N 3.47Å; K8-C10 VanDerWaalsContact C-N 3.27Å; K8-C10 PolarHBondContact O-N 3.39Å
9Q55.9Low61.2Low191 Ų191129.1 Ų129.189%0.89366%0.658SS**  trans-60.4101.4174.4-77.8179.9-2800105.6Q7 S11Q7-Q9 PolarHBondContact O-N 3.14Å; Q9-S11 PolarHBondContact O-N 3.27Å
10C50.5Low62.5Low106 Ų106125.1 Ų125.172%0.71664%0.636SS**  trans-66.5110.9-179.6-167.30000105.3K8 V12K8-C10 VanDerWaalsContact C-N 3.27Å; K8-C10 PolarHBondContact O-N 3.39Å; C10-V12 HydrophobicContact CB-CG2 4.32Å; C10-V12 PolarHBondContact O-N 3.38Å
11S60.1Low63.5Low105 Ų105121.4 Ų121.473%0.73462%0.624SS**  trans-71.769.1176.252.80000108.3Q9 S13Q9-S11 PolarHBondContact O-N 3.27Å; S11-S13 VanDerWaalsContact C-N 3.29Å; S11-S13 PolarHBondContact O-N 2.68Å
12V68.3Low66Low93 Ų93115.7 Ų115.756%0.56460%0.596SS**  trans-63.999167.3-177.80000105.7C10 K48C10-V12 HydrophobicContact CB-CG2 4.32Å; C10-V12 PolarHBondContact O-N 3.38Å; V12-K48 PolarHBondContact O-NZ 2.63Å
13S75.2Confident68.4Low67 Ų67111.6 Ų111.647%0.46956%0.562SS.*PPolyproline II helixtrans-93.1158.9159.148.70000108.6S11 S44S11-S13 VanDerWaalsContact C-N 3.29Å; S11-S13 PolarHBondContact O-N 2.68Å; S13-S44 WeakPolarHBondContact CA-OG 3.44Å
14L80.4Confident70.8Confident57 Ų57107.2 Ų107.230%0.29854%0.541SS..PPolyproline II helixtrans-76.6146.3169.3-64.4171000109.3M19 S40 V43 S44 I47L14-M19 HydrophobicContact CB-CE 4.12Å; L14-M19 HydrophobicContact CD1-CE 3.66Å; L14-S40 WeakPolarHBondContact CA-OG 3.46Å; L14-S40 PolarHBondContact N-OG 3.21Å; L14-S40 PolarHBondContact O-OG 3.34Å; L14-V43 HydrophobicContact CD1-CB 4.35Å; L14-V43 HydrophobicContact CD1-CG1 3.59Å; L14-S44 PolarHBondContact N-OG 2.93Å; L14-I47 HydrophobicContact CD1-CD1 4.28Å
15P84.5Confident72.9Confident78 Ų78103.9 Ų103.951%0.50654%0.537SS..PPolyproline II helixtrans-63.7140.7175.927.4-33.2000110.1E17 S18P15-E17 PolarHBondContact O-N 2.7Å; P15-S18 WeakPolarHBondContact O-CB 3.42Å; P15-S18 PolarHBondContact O-N 3.4Å
16T83.4Confident74.8Confident34 Ų3498.3 Ų98.321%0.20953%0.529CS..Hα-helixtrans-57.6-31.8179.344.60000112.1S18 M19 K20 C36 V37T16-S18 VanDerWaalsContact C-N 3.28Å; T16-S18 PolarHBondContact O-N 2.9Å; T16-M19 WeakPolarHBondContact O-CB 3.05Å; T16-M19 PolarHBondContact O-N 3.28Å; T16-K20 WeakPolarHBondContact O-CG 3.49Å; T16-K20 PolarHBondContact O-N 3.09Å; T16-C36 HydrophobicContact CG2-CB 4.1Å; T16-V37 HydrophobicContact CG2-CG2 3.71Å
17E84.1Confident76.8Confident104 Ų10490.7 Ų90.749%0.48652%0.521SS..Hα-helixtrans-58.9-32.6173.6-58-48.8117.400113.8P15 K20 A21P15-E17 PolarHBondContact O-N 2.7Å; E17-K20 PolarHBondContact O-N 3.29Å; E17-K20 WeakPolarHBondContact OE1-CD 3.47Å; E17-K20 WeakPolarHBondContact OE1-CE 3.26Å; E17-K20 IonicContact OE1-NZ 2.84Å; E17-K20 PolarHBondContact OE1-NZ 2.86Å; E17-A21 WeakPolarHBondContact O-CB 3.28Å; E17-A21 PolarHBondContact O-N 3.49Å
18S85.1Confident78.5Confident51 Ų5185.8 Ų85.836%0.35750%0.503SS..Hα-helixtrans-68.9-37.6173.4-66.60000111.9P15 T16 A21 M22P15-S18 WeakPolarHBondContact O-CB 3.42Å; P15-S18 PolarHBondContact O-N 3.4Å; T16-S18 VanDerWaalsContact C-N 3.28Å; T16-S18 PolarHBondContact O-N 2.9Å; S18-A21 PolarHBondContact O-N 3.39Å; S18-M22 WeakPolarHBondContact O-CG 3.3Å; S18-M22 PolarHBondContact O-N 2.98Å
19M87.1Confident79.9Confident21 Ų2178.9 Ų78.910%0.10349%0.489CS..Hα-helixtrans-67.2-41.7174.8-59.9-64.4111.700110.9L14 T16 M22 A23 C36 L39L14-M19 HydrophobicContact CB-CE 4.12Å; L14-M19 HydrophobicContact CD1-CE 3.66Å; T16-M19 WeakPolarHBondContact O-CB 3.05Å; T16-M19 PolarHBondContact O-N 3.28Å; M19-M22 PolarHBondContact O-N 2.75Å; M19-A23 PolarHBondContact O-N 2.99Å; M19-C36 HydrophobicContact CB-CB 4.25Å; M19-L39 HydrophobicContact SD-CB 4.27Å
20K86.5Confident80.9Confident49 Ų4979.4 Ų79.421%0.21349%0.492CS..Hα-helixtrans-59.6-48.3173.7-66.6171.3-170.2169.30111.3T16 E17 M22 A23 E24 E33T16-K20 WeakPolarHBondContact O-CG 3.49Å; T16-K20 PolarHBondContact O-N 3.09Å; E17-K20 PolarHBondContact O-N 3.29Å; E17-K20 WeakPolarHBondContact OE1-CD 3.47Å; E17-K20 WeakPolarHBondContact OE1-CE 3.26Å; E17-K20 IonicContact OE1-NZ 2.84Å; E17-K20 PolarHBondContact OE1-NZ 2.86Å; K20-M22 PolarHBondContact O-N 3.36Å; K20-A23 PolarHBondContact O-N 3.19Å; K20-E24 WeakPolarHBondContact O-CG 3.44Å; K20-E24 PolarHBondContact O-N 3.44Å; K20-E33 WeakPolarHBondContact CE-OE1 3.4Å; K20-E33 IonicContact NZ-OE1 2.7Å; K20-E33 PolarHBondContact NZ-OE1 3.04Å
21A84.8Confident82.4Confident47 Ų4777.5 Ų77.539%0.38847%0.474SS..Hα-helixtrans-63.5-38.617900000113.3E17 S18 A23 E24 S25E17-A21 WeakPolarHBondContact O-CB 3.28Å; E17-A21 PolarHBondContact O-N 3.49Å; S18-A21 PolarHBondContact O-N 3.39Å; A21-A23 VanDerWaalsContact C-N 3.35Å; A21-E24 PolarHBondContact O-N 2.87Å; A21-S25 PolarHBondContact O-N 3.33Å; A21-S25 VanDerWaalsContact O-N 3.08Å
22M86.7Confident83.7Confident126 Ų12679.1 Ų79.162%0.62147%0.47SS*.Hα-helixtrans-67-35.2174.5-70.5-177.777.600112.2S18 M19 K20 S25 V26S18-M22 WeakPolarHBondContact O-CG 3.3Å; S18-M22 PolarHBondContact O-N 2.98Å; M19-M22 PolarHBondContact O-N 2.75Å; K20-M22 PolarHBondContact O-N 3.36Å; M22-S25 PolarHBondContact O-N 2.75Å; M22-S25 PolarHBondContact O-OG 3.43Å; M22-V26 PolarHBondContact O-N 3.32Å
23A88.3Confident84.5Confident14 Ų1479.9 Ų79.912%0.11647%0.467CS..Hα-helixtrans-71.1-41.1173.600000113.1M19 K20 A21 S25 V26 G27 V28 L31M19-A23 PolarHBondContact O-N 2.99Å; K20-A23 PolarHBondContact O-N 3.19Å; A21-A23 VanDerWaalsContact C-N 3.35Å; A23-S25 PolarHBondContact O-N 3.07Å; A23-V26 PolarHBondContact O-N 3.48Å; A23-G27 PolarHBondContact O-N 3.36Å; A23-V28 CarbonylContact C-O 3.6Å; A23-V28 HydrophobicContact CB-CB 4.29Å; A23-V28 PolarHBondContact O-N 3.04Å; A23-L31 HydrophobicContact CB-CD1 3.29Å; A23-L31 HydrophobicContact CB-CG 4.45Å
24E88.8Confident85Confident97 Ų9784.4 Ų84.445%0.45348%0.481SS..Hα-helixtrans-54.4-41.5171.9-76178.4177.800110.7K20 A21 V26 G27 R102K20-E24 WeakPolarHBondContact O-CG 3.44Å; K20-E24 PolarHBondContact O-N 3.44Å; A21-E24 PolarHBondContact O-N 2.87Å; E24-V26 VanDerWaalsContact C-N 3.3Å; E24-V26 PolarHBondContact O-N 2.96Å; E24-G27 PolarHBondContact O-N 2.71Å; E24-R102 IonicContact OE1-CZ 2.68Å; E24-R102 IonicContact OE1-NH1 2.68Å; E24-R102 IonicContact OE1-NH2 2.68Å; E24-R102 PolarHBondContact OE1-NH2 3.35Å; E24-R102 IonicContact OE2-CZ 3.12Å; E24-R102 IonicContact OE2-NH1 3.1Å; E24-R102 PolarHBondContact OE2-NH1 2.92Å; E24-R102 IonicContact OE2-NH2 3.27Å; E24-R102 PolarHBondContact OE2-NH2 2.91Å
25S87Confident85.4Confident101 Ų10183.8 Ų83.871%0.70648%0.482SS*.Hα-helixtrans-68.1-22.3178.1740000115.2A21 M22 A23 G27A21-S25 PolarHBondContact O-N 3.33Å; A21-S25 VanDerWaalsContact O-N 3.08Å; M22-S25 PolarHBondContact O-N 2.75Å; M22-S25 PolarHBondContact O-OG 3.43Å; A23-S25 PolarHBondContact O-N 3.07Å; S25-G27 VanDerWaalsContact C-N 3.33Å
26V88.1Confident85.4Confident117 Ų11780.1 Ų80.171%0.70946%0.458SS*.THydrogen-bonded Turntrans-89.9-2.3173.4179.70000111.3M22 A23 E24 V28M22-V26 PolarHBondContact O-N 3.32Å; A23-V26 PolarHBondContact O-N 3.48Å; E24-V26 VanDerWaalsContact C-N 3.3Å; E24-V26 PolarHBondContact O-N 2.96Å; V26-V28 HydrophobicContact CG1-CG2 4.29Å
27G87.5Confident85.6Confident67 Ų6781.5 Ų81.569%0.69147%0.466SS*.THydrogen-bonded Turntrans83.510.9-177.400000114.4A23 E24 S25 G29A23-G27 PolarHBondContact O-N 3.36Å; E24-G27 PolarHBondContact O-N 2.71Å; S25-G27 VanDerWaalsContact C-N 3.33Å; G27-G29 PolarHBondContact O-N 3.08Å
28V86.4Confident85.8Confident74 Ų7479.3 Ų79.345%0.44847%0.466SS..  trans-91.394.4178.9-177.90000109.6A23 V26 L31A23-V28 CarbonylContact C-O 3.6Å; A23-V28 HydrophobicContact CB-CB 4.29Å; A23-V28 PolarHBondContact O-N 3.04Å; V26-V28 HydrophobicContact CG1-CG2 4.29Å; V28-L31 HydrophobicContact CG1-CG 4.43Å
29G79.9Confident86Confident58 Ų5881.1 Ų81.160%0.59847%0.471SS*.  trans-77.2153174.500000113.6G27G27-G29 PolarHBondContact O-N 3.08Å
30Q76.9Confident86.1Confident202 Ų20280.3 Ų80.394%0.94447%0.467SS*.  trans57.652168.1-58.3-175.3-3.600116.1
31L81.9Confident86.2Confident65 Ų6584.2 Ų84.234%0.3449%0.487SS..  trans-63.9143.9165.2-90.3163000112.4A23 V28A23-L31 HydrophobicContact CB-CD1 3.29Å; A23-L31 HydrophobicContact CB-CG 4.45Å; V28-L31 HydrophobicContact CG1-CG 4.43Å
32Q86.6Confident86.5Confident140 Ų14086.2 Ų86.265%0.65449%0.488SS*.  trans-69.5143.4170.1-67.4179.1-13.300110.8E34 S35 C36Q32-E34 PolarHBondContact O-N 3.46Å; Q32-S35 WeakPolarHBondContact O-CB 3.33Å; Q32-S35 PolarHBondContact O-N 2.87Å; Q32-C36 PolarHBondContact O-N 2.94Å; Q32-C36 PolarHBondContact O-SG 3.39Å
33E84.3Confident86.6Confident108 Ų10882.8 Ų82.851%0.50547%0.474SS..Hα-helixtrans-65.7-38.3-175.1-171.7132.5-109.200112.4K20 S35 C36 V37K20-E33 WeakPolarHBondContact CE-OE1 3.4Å; K20-E33 IonicContact NZ-OE1 2.7Å; K20-E33 PolarHBondContact NZ-OE1 3.04Å; E33-S35 VanDerWaalsContact C-N 3.28Å; E33-S35 PolarHBondContact O-N 3.23Å; E33-C36 WeakPolarHBondContact O-CB 3.43Å; E33-C36 PolarHBondContact O-N 3.05Å; E33-V37 WeakPolarHBondContact O-CG2 3.45Å; E33-V37 PolarHBondContact O-N 3.19Å
34E87.4Confident86.7Confident162 Ų16282.5 Ų82.576%0.75747%0.471SS*.Hα-helixtrans-58.6-39174.7-61-173.4160.900112.1Q32 V37 A38Q32-E34 PolarHBondContact O-N 3.46Å; E34-V37 PolarHBondContact O-N 3.46Å; E34-A38 PolarHBondContact O-N 3.02Å
35S86.9Confident86.7Confident45 Ų4584.5 Ų84.532%0.31548%0.475SS..Hα-helixtrans-65.8-39174.6-46.50000111.9Q32 E33 V37 A38 L39Q32-S35 WeakPolarHBondContact O-CB 3.33Å; Q32-S35 PolarHBondContact O-N 2.87Å; E33-S35 VanDerWaalsContact C-N 3.28Å; E33-S35 PolarHBondContact O-N 3.23Å; S35-V37 VanDerWaalsContact C-N 3.35Å; S35-A38 PolarHBondContact O-N 3.49Å; S35-L39 WeakPolarHBondContact O-CB 3.49Å; S35-L39 VanDerWaalsContact O-CG 3.27Å; S35-L39 WeakPolarHBondContact O-CG 3.46Å; S35-L39 PolarHBondContact O-N 2.89Å
36C85.9Confident86.9Confident0 Ų085.2 Ų85.20%046%0.463CS..Hα-helixtrans-67.2-34.9176.1-630000112.3T16 M19 Q32 E33 S40T16-C36 HydrophobicContact CG2-CB 4.1Å; M19-C36 HydrophobicContact CB-CB 4.25Å; Q32-C36 PolarHBondContact O-N 2.94Å; Q32-C36 PolarHBondContact O-SG 3.39Å; E33-C36 WeakPolarHBondContact O-CB 3.43Å; E33-C36 PolarHBondContact O-N 3.05Å; C36-S40 WeakPolarHBondContact O-CB 3.3Å; C36-S40 PolarHBondContact O-N 2.72Å
37V88.1Confident87Confident63 Ų6384 Ų8438%0.38245%0.451SS..Hα-helixtrans-66.3-52.2173.5173.60000110.4T16 E33 E34 S35 L39 S40 E41T16-V37 HydrophobicContact CG2-CG2 3.71Å; E33-V37 WeakPolarHBondContact O-CG2 3.45Å; E33-V37 PolarHBondContact O-N 3.19Å; E34-V37 PolarHBondContact O-N 3.46Å; S35-V37 VanDerWaalsContact C-N 3.35Å; V37-L39 VanDerWaalsContact C-N 3.34Å; V37-L39 PolarHBondContact O-N 2.97Å; V37-S40 WeakPolarHBondContact O-CB 3.29Å; V37-S40 PolarHBondContact O-N 3.48Å; V37-S40 VanDerWaalsContact O-N 3.09Å; V37-E41 PolarHBondContact O-N 3.43Å
38A88.4Confident87.1Confident59 Ų5985.1 Ų85.149%0.48844%0.437SS..Hα-helixtrans-59.5-41.4-179.700000112.9E34 S35 E41 E42E34-A38 PolarHBondContact O-N 3.02Å; S35-A38 PolarHBondContact O-N 3.49Å; A38-E41 PolarHBondContact O-N 3.38Å; A38-E42 PolarHBondContact O-N 3.12Å; A38-E42 VanDerWaalsContact O-N 3.13Å
39L88.7Confident87.3Confident88 Ų8883.9 Ų83.946%0.46143%0.426SS..Hα-helixtrans-64.3-41.9173.9-73.3169.9000112.1M19 S35 V37 E41 E42 V43M19-L39 HydrophobicContact SD-CB 4.27Å; S35-L39 WeakPolarHBondContact O-CB 3.49Å; S35-L39 VanDerWaalsContact O-CG 3.27Å; S35-L39 WeakPolarHBondContact O-CG 3.46Å; S35-L39 PolarHBondContact O-N 2.89Å; V37-L39 VanDerWaalsContact C-N 3.34Å; V37-L39 PolarHBondContact O-N 2.97Å; L39-E41 VanDerWaalsContact C-N 3.34Å; L39-E41 PolarHBondContact O-N 3.33Å; L39-E42 PolarHBondContact O-N 3.19Å; L39-V43 WeakPolarHBondContact O-CB 3.43Å; L39-V43 VanDerWaalsContact O-CG2 3.28Å; L39-V43 WeakPolarHBondContact O-CG2 3.3Å; L39-V43 PolarHBondContact O-N 2.68Å
40S88.8Confident87.9Confident4 Ų483 Ų833%0.02841%0.408CS..Hα-helixtrans-61.2-42175.8177.70000112L14 C36 V37 S44L14-S40 WeakPolarHBondContact CA-OG 3.46Å; L14-S40 PolarHBondContact N-OG 3.21Å; L14-S40 PolarHBondContact O-OG 3.34Å; C36-S40 WeakPolarHBondContact O-CB 3.3Å; C36-S40 PolarHBondContact O-N 2.72Å; V37-S40 WeakPolarHBondContact O-CB 3.29Å; V37-S40 PolarHBondContact O-N 3.48Å; V37-S40 VanDerWaalsContact O-N 3.09Å; S40-S44 WeakPolarHBondContact O-CB 3.33Å; S40-S44 PolarHBondContact O-N 3.21Å; S40-S44 PolarHBondContact O-OG 3.19Å
41E89.1Confident88.7Confident132 Ų13275.4 Ų75.462%0.61738%0.379SS*.Hα-helixtrans-65-46.7178.7-69.4-166.7153.400112.4V37 A38 L39 S44 Y45V37-E41 PolarHBondContact O-N 3.43Å; A38-E41 PolarHBondContact O-N 3.38Å; L39-E41 VanDerWaalsContact C-N 3.34Å; L39-E41 PolarHBondContact O-N 3.33Å; E41-S44 CarbonylContact O-C 3.54Å; E41-S44 PolarHBondContact O-N 3.05Å; E41-Y45 WeakPolarHBondContact O-CB 3.47Å; E41-Y45 PolarHBondContact O-N 3.21Å
42E89.9Confident89.2Confident88 Ų8878 Ų7841%0.41139%0.39SS..Hα-helixtrans-64.2-46.7177.3174.662.8-176.300111.8A38 L39 S44 Y45 R46A38-E42 PolarHBondContact O-N 3.12Å; A38-E42 VanDerWaalsContact O-N 3.13Å; L39-E42 PolarHBondContact O-N 3.19Å; E42-S44 VanDerWaalsContact C-N 3.27Å; E42-S44 PolarHBondContact O-N 2.85Å; E42-Y45 WeakPolarHBondContact O-CA 3.42Å; E42-Y45 WeakPolarHBondContact O-CB 3.46Å; E42-Y45 PolarHBondContact O-N 2.95Å; E42-R46 WeakPolarHBondContact O-CG 3.27Å; E42-R46 PolarHBondContact O-N 3.46Å; E42-R46 IonicContact OE1-CZ 3.75Å; E42-R46 IonicContact OE1-NE 2.91Å; E42-R46 PolarHBondContact OE1-NE 3.45Å; E42-R46 IonicContact OE1-NH2 3.5Å; E42-R46 PolarHBondContact OE1-NH2 3.03Å
43V90.2Very high89.6Confident55 Ų5571.9 Ų71.933%0.33336%0.362SS..Hα-helixtrans-60.1-41.4175.4173.10000110.6L14 L39 Y45 R46 I47L14-V43 HydrophobicContact CD1-CB 4.35Å; L14-V43 HydrophobicContact CD1-CG1 3.59Å; L39-V43 WeakPolarHBondContact O-CB 3.43Å; L39-V43 VanDerWaalsContact O-CG2 3.28Å; L39-V43 WeakPolarHBondContact O-CG2 3.3Å; L39-V43 PolarHBondContact O-N 2.68Å; V43-Y45 VanDerWaalsContact C-N 3.28Å; V43-Y45 PolarHBondContact O-N 3.07Å; V43-R46 PolarHBondContact O-N 3.44Å; V43-I47 HydrophobicContact CG1-CD1 3.86Å; V43-I47 HydrophobicContact CG1-CG1 4.48Å; V43-I47 WeakPolarHBondContact O-CG1 3.4Å; V43-I47 PolarHBondContact O-N 3.46Å
44S89Confident90Very high7 Ų766.8 Ų66.85%0.04934%0.338CS..Hα-helixtrans-67.6-26.5176.6-59.60000113S13 L14 S40 E41 E42 K48S13-S44 WeakPolarHBondContact CA-OG 3.44Å; L14-S44 PolarHBondContact N-OG 2.93Å; S40-S44 WeakPolarHBondContact O-CB 3.33Å; S40-S44 PolarHBondContact O-N 3.21Å; S40-S44 PolarHBondContact O-OG 3.19Å; E41-S44 CarbonylContact O-C 3.54Å; E41-S44 PolarHBondContact O-N 3.05Å; E42-S44 VanDerWaalsContact C-N 3.27Å; E42-S44 PolarHBondContact O-N 2.85Å; S44-K48 WeakPolarHBondContact O-CD 3.45Å; S44-K48 VanDerWaalsContact O-CE 3.27Å; S44-K48 WeakPolarHBondContact O-CE 3.43Å; S44-K48 WeakPolarHBondContact O-CG 3.35Å; S44-K48 PolarHBondContact O-N 3.49Å; S44-K48 PolarHBondContact O-NZ 3.34Å
45Y89.8Confident90.3Very high139 Ų13962.6 Ų62.655%0.54532%0.32SS..Hα-helixtrans-72.6-48171178.3-95.3000110.9E41 E42 V43 I47 K48 E49E41-Y45 WeakPolarHBondContact O-CB 3.47Å; E41-Y45 PolarHBondContact O-N 3.21Å; E42-Y45 WeakPolarHBondContact O-CA 3.42Å; E42-Y45 WeakPolarHBondContact O-CB 3.46Å; E42-Y45 PolarHBondContact O-N 2.95Å; V43-Y45 VanDerWaalsContact C-N 3.28Å; V43-Y45 PolarHBondContact O-N 3.07Å; Y45-I47 PolarHBondContact O-N 3.49Å; Y45-K48 CarbonylContact O-C 3.6Å; Y45-K48 WeakPolarHBondContact O-CA 3.28Å; Y45-K48 WeakPolarHBondContact O-CB 3.42Å; Y45-K48 PolarHBondContact O-N 3.47Å; Y45-E49 PolarHBondContact O-N 3.31Å
46R89.9Confident90.7Very high117 Ų11765.7 Ų65.744%0.44233%0.328SS..Hα-helixtrans-60.3-41.3177.8-63.3-58.2175.6169.32.8113.3E42 V43 K48 E49 I50E42-R46 WeakPolarHBondContact O-CG 3.27Å; E42-R46 PolarHBondContact O-N 3.46Å; E42-R46 IonicContact OE1-CZ 3.75Å; E42-R46 IonicContact OE1-NE 2.91Å; E42-R46 PolarHBondContact OE1-NE 3.45Å; E42-R46 IonicContact OE1-NH2 3.5Å; E42-R46 PolarHBondContact OE1-NH2 3.03Å; V43-R46 PolarHBondContact O-N 3.44Å; R46-K48 VanDerWaalsContact C-N 3.28Å; R46-K48 PolarHBondContact O-N 2.97Å; R46-E49 IonicContact NH1-OE2 3.35Å; R46-E49 PolarHBondContact NH1-OE2 3.39Å; R46-E49 WeakPolarHBondContact O-CB 3.33Å; R46-E49 PolarHBondContact O-N 3.01Å; R46-I50 WeakPolarHBondContact O-CG1 3.41Å; R46-I50 PolarHBondContact O-N 2.9Å
47I90.3Very high91Very high92 Ų9269 Ų6947%0.47234%0.342SS..Hα-helixtrans-60.6-40174.5-69.2167.3000110.8L14 V43 Y45 A51L14-I47 HydrophobicContact CD1-CD1 4.28Å; V43-I47 HydrophobicContact CG1-CD1 3.86Å; V43-I47 HydrophobicContact CG1-CG1 4.48Å; V43-I47 WeakPolarHBondContact O-CG1 3.4Å; V43-I47 PolarHBondContact O-N 3.46Å; Y45-I47 PolarHBondContact O-N 3.49Å; I47-A51 VanDerWaalsContact O-CB 3.22Å; I47-A51 WeakPolarHBondContact O-CB 3.39Å; I47-A51 PolarHBondContact O-N 3.11Å
48K90.8Very high91.3Very high89 Ų8966.6 Ų66.639%0.38733%0.327SS..Hα-helixtrans-69.7-36.4176.8-69.1161.6-164.6147.50111.9V12 S44 Y45 R46 Q52V12-K48 PolarHBondContact O-NZ 2.63Å; S44-K48 WeakPolarHBondContact O-CD 3.45Å; S44-K48 VanDerWaalsContact O-CE 3.27Å; S44-K48 WeakPolarHBondContact O-CE 3.43Å; S44-K48 WeakPolarHBondContact O-CG 3.35Å; S44-K48 PolarHBondContact O-N 3.49Å; S44-K48 PolarHBondContact O-NZ 3.34Å; Y45-K48 CarbonylContact O-C 3.6Å; Y45-K48 WeakPolarHBondContact O-CA 3.28Å; Y45-K48 WeakPolarHBondContact O-CB 3.42Å; Y45-K48 PolarHBondContact O-N 3.47Å; R46-K48 VanDerWaalsContact C-N 3.28Å; R46-K48 PolarHBondContact O-N 2.97Å; K48-Q52 WeakPolarHBondContact O-CB 3.46Å; K48-Q52 VanDerWaalsContact O-CG 3.28Å; K48-Q52 WeakPolarHBondContact O-CG 3.12Å; K48-Q52 PolarHBondContact O-N 3.36Å
49E91.3Very high91.5Very high49 Ų4969.7 Ų69.723%0.22933%0.332CS..Hα-helixtrans-62.1-52.4174.1-166.1-173.5178.500111.2Y45 R46 A51 Q52 D53 K78Y45-E49 PolarHBondContact O-N 3.31Å; R46-E49 IonicContact NH1-OE2 3.35Å; R46-E49 PolarHBondContact NH1-OE2 3.39Å; R46-E49 WeakPolarHBondContact O-CB 3.33Å; R46-E49 PolarHBondContact O-N 3.01Å; E49-A51 PolarHBondContact O-N 3.05Å; E49-Q52 PolarHBondContact O-N 3Å; E49-D53 PolarHBondContact O-N 2.63Å; E49-D53 VanDerWaalsContact O-N 3.08Å; E49-K78 WeakPolarHBondContact OE1-CE 3.27Å; E49-K78 IonicContact OE1-NZ 2.68Å; E49-K78 PolarHBondContact OE1-NZ 2.94Å
50I92.3Very high91.8Very high39 Ų3973.3 Ų73.320%0.235%0.346CS..Hα-helixtrans-61.8-42.6178-65.5163.3000110.9R46 Q52 D53 A54 I71 A74 L75R46-I50 WeakPolarHBondContact O-CG1 3.41Å; R46-I50 PolarHBondContact O-N 2.9Å; I50-Q52 PolarHBondContact O-N 2.95Å; I50-D53 PolarHBondContact O-N 3.09Å; I50-A54 WeakPolarHBondContact O-CB 3.39Å; I50-A54 PolarHBondContact O-N 3.23Å; I50-I71 HydrophobicContact CG2-CG2 4.1Å; I50-A74 HydrophobicContact CG2-CB 4.21Å; I50-L75 HydrophobicContact CD1-CD2 3.99Å; I50-L75 HydrophobicContact CG2-CD2 4.32Å
51A92.2Very high91.9Very high43 Ų4375.3 Ų75.336%0.35537%0.367SS..Hα-helixtrans-63.7-37.7177.200000112.7I47 E49 L55I47-A51 VanDerWaalsContact O-CB 3.22Å; I47-A51 WeakPolarHBondContact O-CB 3.39Å; I47-A51 PolarHBondContact O-N 3.11Å; E49-A51 PolarHBondContact O-N 3.05Å; A51-L55 WeakPolarHBondContact O-CB 3.41Å; A51-L55 VanDerWaalsContact O-CG 3.27Å; A51-L55 WeakPolarHBondContact O-CG 3.47Å; A51-L55 PolarHBondContact O-N 2.89Å
52Q93.3Very high92.1Very high119 Ų11978.4 Ų78.456%0.55638%0.378SS*.Hα-helixtrans-65.9-39.3174.1-76.2177.132.800112.3K48 E49 I50 L55 K56K48-Q52 WeakPolarHBondContact O-CB 3.46Å; K48-Q52 VanDerWaalsContact O-CG 3.28Å; K48-Q52 WeakPolarHBondContact O-CG 3.12Å; K48-Q52 PolarHBondContact O-N 3.36Å; E49-Q52 PolarHBondContact O-N 3Å; I50-Q52 PolarHBondContact O-N 2.95Å; Q52-L55 PolarHBondContact O-N 2.92Å; Q52-K56 WeakPolarHBondContact O-CG 3.22Å; Q52-K56 PolarHBondContact O-N 2.67Å
53D93.9Very high92.2Very high12 Ų1278.7 Ų78.76%0.06438%0.376CS..Hα-helixtrans-71.3-39.6176.8-74.3-29000112.1E49 I50 L55 K56 F57 A74 K78E49-D53 PolarHBondContact O-N 2.63Å; E49-D53 VanDerWaalsContact O-N 3.08Å; I50-D53 PolarHBondContact O-N 3.09Å; D53-L55 VanDerWaalsContact C-N 3.33Å; D53-L55 PolarHBondContact O-N 3.35Å; D53-K56 WeakPolarHBondContact O-CB 3.36Å; D53-K56 PolarHBondContact O-N 3.49Å; D53-K56 VanDerWaalsContact O-N 3.09Å; D53-K56 WeakPolarHBondContact OD1-CE 3.35Å; D53-K56 IonicContact OD1-NZ 3.41Å; D53-K56 PolarHBondContact OD1-NZ 2.99Å; D53-F57 VanDerWaalsContact O-CD2 3.26Å; D53-F57 WeakPolarHBondContact O-CD2 3.33Å; D53-F57 PolarHBondContact O-N 3.11Å; D53-F57 VanDerWaalsContact O-N 3.16Å; D53-A74 HydrophobicContact CB-CB 3.9Å; D53-K78 WeakPolarHBondContact OD2-CE 3.39Å; D53-K78 IonicContact OD2-NZ 2.77Å; D53-K78 PolarHBondContact OD2-NZ 2.91Å
54A93.8Very high92.2Very high1 Ų186.1 Ų86.11%0.00840%0.398CS..Hα-helixtrans-62.6-36.6172.400000112.5I50 K56 F57 M58 L66 D70 I71 A74I50-A54 WeakPolarHBondContact O-CB 3.39Å; I50-A54 PolarHBondContact O-N 3.23Å; A54-K56 VanDerWaalsContact C-N 3.32Å; A54-K56 PolarHBondContact O-N 3.23Å; A54-F57 PolarHBondContact O-N 2.89Å; A54-M58 PolarHBondContact O-N 3.49Å; A54-L66 HydrophobicContact CB-CD1 3.9Å; A54-D70 HydrophobicContact CB-CB 4.33Å; A54-I71 HydrophobicContact CB-CG1 4.14Å; A54-A74 HydrophobicContact CB-CB 4.16Å
55L94.4Very high92.2Very high73 Ų7394.1 Ų94.138%0.38243%0.431SS..Hα-helixtrans-63.3-35.3171.9-77.7168.5000112.4A51 Q52 D53 M58 H59 L66A51-L55 WeakPolarHBondContact O-CB 3.41Å; A51-L55 VanDerWaalsContact O-CG 3.27Å; A51-L55 WeakPolarHBondContact O-CG 3.47Å; A51-L55 PolarHBondContact O-N 2.89Å; Q52-L55 PolarHBondContact O-N 2.92Å; D53-L55 VanDerWaalsContact C-N 3.33Å; D53-L55 PolarHBondContact O-N 3.35Å; L55-M58 HydrophobicContact CD2-CE 3.71Å; L55-M58 HydrophobicContact CD2-SD 4.23Å; L55-M58 PolarHBondContact O-N 2.94Å; L55-H59 WeakPolarHBondContact O-CB 3.41Å; L55-H59 PolarHBondContact O-CD2 3.2Å; L55-H59 PolarHBondContact O-N 3.05Å; L55-L66 HydrophobicContact CD2-CD1 4.08Å; L55-L66 HydrophobicContact CG-CD1 4.15Å
56K93.9Very high92.2Very high110 Ų11090.9 Ų90.948%0.47842%0.423SS..Hα-helixtrans-63.2-46.1173.6-64.1163.3-159.11690110.5Q52 D53 A54 M58 H59 H60Q52-K56 WeakPolarHBondContact O-CG 3.22Å; Q52-K56 PolarHBondContact O-N 2.67Å; D53-K56 WeakPolarHBondContact O-CB 3.36Å; D53-K56 PolarHBondContact O-N 3.49Å; D53-K56 VanDerWaalsContact O-N 3.09Å; D53-K56 WeakPolarHBondContact OD1-CE 3.35Å; D53-K56 IonicContact OD1-NZ 3.41Å; D53-K56 PolarHBondContact OD1-NZ 2.99Å; A54-K56 VanDerWaalsContact C-N 3.32Å; A54-K56 PolarHBondContact O-N 3.23Å; K56-M58 PolarHBondContact O-N 3.39Å; K56-H59 PolarHBondContact O-N 3.48Å; K56-H60 WeakPolarHBondContact O-CB 3.38Å; K56-H60 PolarHBondContact O-CD2 2.97Å; K56-H60 PolarHBondContact O-N 3.41Å
57F93.3Very high92.2Very high69 Ų6987.5 Ų87.530%0.30342%0.416SS..Hα-helixtrans-59.4-45.3174.4-74.2-70.2000112.4D53 A54 H59 H60 G61 D70 N73 A74 L77D53-F57 VanDerWaalsContact O-CD2 3.26Å; D53-F57 WeakPolarHBondContact O-CD2 3.33Å; D53-F57 PolarHBondContact O-N 3.11Å; D53-F57 VanDerWaalsContact O-N 3.16Å; A54-F57 PolarHBondContact O-N 2.89Å; F57-H59 PolarHBondContact O-N 2.79Å; F57-H60 PolarHBondContact O-N 2.9Å; F57-G61 PolarHBondContact O-N 3.3Å; F57-D70 HydrophobicContact CB-CB 4.17Å; F57-N73 HydrophobicContact CD1-CB 4.06Å; F57-N73 HydrophobicContact CD2-CB 3.97Å; F57-N73 HydrophobicContact CE1-CB 3.96Å; F57-N73 HydrophobicContact CE2-CB 3.89Å; F57-N73 HydrophobicContact CG-CB 4.07Å; F57-N73 HydrophobicContact CZ-CB 3.88Å; F57-A74 HydrophobicContact CD2-CB 4.42Å; F57-A74 HydrophobicContact CE2-CB 4.4Å; F57-L77 HydrophobicContact CE2-CD2 4.23Å; F57-L77 HydrophobicContact CZ-CD2 4.41Å
58M93.9Very high92.2Very high14 Ų1486.2 Ų86.27%0.06941%0.412CS..Hα-helixtrans-57.7-46.6176.2-177-158.267.700111.9A54 L55 K56 G61 K62 R63 L66 D70A54-M58 PolarHBondContact O-N 3.49Å; L55-M58 HydrophobicContact CD2-CE 3.71Å; L55-M58 HydrophobicContact CD2-SD 4.23Å; L55-M58 PolarHBondContact O-N 2.94Å; K56-M58 PolarHBondContact O-N 3.39Å; M58-G61 CarbonylContact O-C 3.58Å; M58-G61 PolarHBondContact O-N 3.39Å; M58-K62 PolarHBondContact O-N 3.35Å; M58-R63 HydrophobicContact CG-CB 3.93Å; M58-R63 PolarHBondContact O-N 3.29Å; M58-L66 HydrophobicContact SD-CB 3.99Å; M58-L66 PolarHBondContact SD-N 3.13Å; M58-D70 WeakPolarHBondContact CA-OD1 3.21Å; M58-D70 PolarHBondContact N-OD1 3.26Å
59H93.3Very high92.1Very high124 Ų12484.4 Ų84.457%0.57441%0.411SS*.Hα-helixtrans-68.3-39.8178.9-79-62.2000112.9L55 K56 F57 G61 K62L55-H59 WeakPolarHBondContact O-CB 3.41Å; L55-H59 PolarHBondContact O-CD2 3.2Å; L55-H59 PolarHBondContact O-N 3.05Å; K56-H59 PolarHBondContact O-N 3.48Å; F57-H59 PolarHBondContact O-N 2.79Å; H59-G61 VanDerWaalsContact C-N 3.3Å; H59-G61 PolarHBondContact O-N 2.92Å; H59-K62 WeakPolarHBondContact O-CA 3.5Å; H59-K62 PolarHBondContact O-N 3.38Å
60H94.3Very high92.1Very high163 Ų16382.2 Ų82.276%0.75540%0.401SS*.Hα-helixtrans-63.1-37.1173-85-116.8000111.9K56 F57 K62K56-H60 WeakPolarHBondContact O-CB 3.38Å; K56-H60 PolarHBondContact O-CD2 2.97Å; K56-H60 PolarHBondContact O-N 3.41Å; F57-H60 PolarHBondContact O-N 2.9Å; H60-K62 PolarHBondContact O-N 2.86Å
61G91.8Very high92.1Very high46 Ų4683.3 Ų83.347%0.47441%0.406SS..THydrogen-bonded Turntrans-70.6-0.6169.900000114.8F57 M58 H59 R63F57-G61 PolarHBondContact O-N 3.3Å; M58-G61 CarbonylContact O-C 3.58Å; M58-G61 PolarHBondContact O-N 3.39Å; H59-G61 VanDerWaalsContact C-N 3.3Å; H59-G61 PolarHBondContact O-N 2.92Å; G61-R63 PolarHBondContact O-N 3.06Å
62K92.9Very high92.1Very high197 Ų19783 Ų8386%0.85740%0.399SS*.THydrogen-bonded Turntrans56.525.8-175.3-56180-177.8176.60113.7M58 H59 H60M58-K62 PolarHBondContact O-N 3.35Å; H59-K62 WeakPolarHBondContact O-CA 3.5Å; H59-K62 PolarHBondContact O-N 3.38Å; H60-K62 PolarHBondContact O-N 2.86Å
63R92.2Very high92Very high94 Ų9480.3 Ų80.336%0.35539%0.388SS..  trans-91.1155.2-179.9-62.7-171.1-76.5180-1.4111M58 G61 T67 D70M58-R63 HydrophobicContact CG-CB 3.93Å; M58-R63 PolarHBondContact O-N 3.29Å; G61-R63 PolarHBondContact O-N 3.06Å; R63-T67 VanDerWaalsContact CZ-OG1 3.27Å; R63-T67 PolarHBondContact NH1-OG1 2.86Å; R63-T67 PolarHBondContact NH2-OG1 2.76Å; R63-T67 VanDerWaalsContact NH2-OG1 3.11Å; R63-D70 IonicContact CZ-OD1 2.71Å; R63-D70 IonicContact CZ-OD2 3.89Å; R63-D70 IonicContact NH2-OD1 2.75Å; R63-D70 PolarHBondContact NH2-OD1 2.94Å; R63-D70 IonicContact NH2-OD2 3.97Å; R63-D70 PolarHBondContact NH2-OD2 3.31Å
64R89.6Confident91.9Very high212 Ų21279.7 Ų79.780%0.839%0.385SS*.SBendtrans-111.41.5171.3-71.8-174.765.71780.1113.6
65K89.4Confident91.8Very high174 Ų17480.2 Ų80.276%0.75739%0.388SS*.SBendtrans-122.3127.8171.5-68.3-173.1176.8-173.10107.2
66L89.4Confident91.7Very high71 Ų7182 Ų8237%0.37239%0.392SS..  trans-76.6137.5172.3-173.1151.7000108.4A54 L55 M58 D70 I71A54-L66 HydrophobicContact CB-CD1 3.9Å; L55-L66 HydrophobicContact CD2-CD1 4.08Å; L55-L66 HydrophobicContact CG-CD1 4.15Å; M58-L66 HydrophobicContact SD-CB 3.99Å; M58-L66 PolarHBondContact SD-N 3.13Å; L66-D70 HydrophobicContact CG-CB 4.26Å; L66-I71 HydrophobicContact CD2-CD1 3.88Å; L66-I71 HydrophobicContact CD2-CG1 3.75Å
67T90.3Very high91.6Very high46 Ų4681.5 Ų81.528%0.28239%0.394SS..  trans-120.6161.3-178.259.30000110.7R63 S69 D70R63-T67 VanDerWaalsContact CZ-OG1 3.27Å; R63-T67 PolarHBondContact NH1-OG1 2.86Å; R63-T67 PolarHBondContact NH2-OG1 2.76Å; R63-T67 VanDerWaalsContact NH2-OG1 3.11Å; T67-S69 PolarHBondContact O-N 2.99Å; T67-S69 PolarHBondContact OG1-OG 2.8Å; T67-D70 PolarHBondContact N-OD2 3.41Å; T67-D70 WeakPolarHBondContact O-CB 3.27Å; T67-D70 PolarHBondContact O-N 3.26Å; T67-D70 PolarHBondContact OG1-OD2 3.12Å
68T89.6Confident91.4Very high65 Ų6581.5 Ų81.540%0.39939%0.394SS..Hα-helixtrans-55.9-38.518045.60000111.9D70 I71 D72 F86T68-D70 VanDerWaalsContact C-N 3.26Å; T68-D70 PolarHBondContact O-N 2.93Å; T68-I71 CarbonylContact O-C 3.56Å; T68-I71 WeakPolarHBondContact O-CA 3.5Å; T68-I71 WeakPolarHBondContact O-CB 3.31Å; T68-I71 PolarHBondContact O-N 3.2Å; T68-D72 VanDerWaalsContact O-CG 3.3Å; T68-D72 PolarHBondContact O-N 3.05Å; T68-F86 WeakPolarHBondContact CB-O 3.45Å; T68-F86 HydrophobicContact CG2-CB 4.14Å; T68-F86 WeakPolarHBondContact CG2-O 3.44Å; T68-F86 PolarHBondContact OG1-O 2.96Å
69S89.4Confident91.2Very high51 Ų5188 Ų8836%0.35743%0.429SS..Hα-helixtrans-64-20.8174.5630000115.6T67 D72 N73T67-S69 PolarHBondContact O-N 2.99Å; T67-S69 PolarHBondContact OG1-OG 2.8Å; S69-D72 WeakPolarHBondContact CA-OD2 3.1Å; S69-N73 WeakPolarHBondContact O-CB 3.47Å; S69-N73 PolarHBondContact O-N 3.27Å; S69-N73 PolarHBondContact O-ND2 3.06Å
70D91.8Very high91.1Very high3 Ų385.6 Ų85.62%0.01642%0.423CS..Hα-helixtrans-72.7-33.5169.4-59.4-68.2000111.2A54 F57 M58 R63 L66 T67 T68 A74A54-D70 HydrophobicContact CB-CB 4.33Å; F57-D70 HydrophobicContact CB-CB 4.17Å; M58-D70 WeakPolarHBondContact CA-OD1 3.21Å; M58-D70 PolarHBondContact N-OD1 3.26Å; R63-D70 IonicContact CZ-OD1 2.71Å; R63-D70 IonicContact CZ-OD2 3.89Å; R63-D70 IonicContact NH2-OD1 2.75Å; R63-D70 PolarHBondContact NH2-OD1 2.94Å; R63-D70 IonicContact NH2-OD2 3.97Å; R63-D70 PolarHBondContact NH2-OD2 3.31Å; L66-D70 HydrophobicContact CG-CB 4.26Å; T67-D70 PolarHBondContact N-OD2 3.41Å; T67-D70 WeakPolarHBondContact O-CB 3.27Å; T67-D70 PolarHBondContact O-N 3.26Å; T67-D70 PolarHBondContact OG1-OD2 3.12Å; T68-D70 VanDerWaalsContact C-N 3.26Å; T68-D70 PolarHBondContact O-N 2.93Å; D70-A74 PolarHBondContact O-N 3.35Å
71I92.2Very high90.6Very high63 Ų6385.9 Ų85.932%0.32343%0.425SS..Hα-helixtrans-74.3-45.2175.4-51.8178.5000110.1I50 A54 L66 T68 N73 A74 L75I50-I71 HydrophobicContact CG2-CG2 4.1Å; A54-I71 HydrophobicContact CB-CG1 4.14Å; L66-I71 HydrophobicContact CD2-CD1 3.88Å; L66-I71 HydrophobicContact CD2-CG1 3.75Å; T68-I71 CarbonylContact O-C 3.56Å; T68-I71 WeakPolarHBondContact O-CA 3.5Å; T68-I71 WeakPolarHBondContact O-CB 3.31Å; T68-I71 PolarHBondContact O-N 3.2Å; I71-N73 PolarHBondContact O-N 3.04Å; I71-A74 CarbonylContact O-C 3.55Å; I71-A74 WeakPolarHBondContact O-CA 3.18Å; I71-A74 WeakPolarHBondContact O-CB 3.48Å; I71-A74 PolarHBondContact O-N 2.94Å; I71-L75 HydrophobicContact CG2-CD1 4.3Å; I71-L75 HydrophobicContact CG2-CG 4.31Å; I71-L75 WeakPolarHBondContact O-CG 3.48Å; I71-L75 PolarHBondContact O-N 3.03Å
72D91.6Very high90Very high37 Ų3785.8 Ų85.820%0.19842%0.416CS..Hα-helixtrans-57.4-36.2178.3-58.5-33.6000111.9T68 S69 K76T68-D72 VanDerWaalsContact O-CG 3.3Å; T68-D72 PolarHBondContact O-N 3.05Å; S69-D72 WeakPolarHBondContact CA-OD2 3.1Å; D72-K76 WeakPolarHBondContact O-CB 3.4Å; D72-K76 VanDerWaalsContact O-CD 3.31Å; D72-K76 WeakPolarHBondContact O-CD 3.43Å; D72-K76 WeakPolarHBondContact O-CG 3.35Å; D72-K76 PolarHBondContact O-N 3.35Å
73N90.7Very high89.6Confident61 Ų6181.5 Ų81.533%0.32640%0.402SS..Hα-helixtrans-74.4-31.6176-69.2-26.6000112.4F57 S69 I71 L77F57-N73 HydrophobicContact CD1-CB 4.06Å; F57-N73 HydrophobicContact CD2-CB 3.97Å; F57-N73 HydrophobicContact CE1-CB 3.96Å; F57-N73 HydrophobicContact CE2-CB 3.89Å; F57-N73 HydrophobicContact CG-CB 4.07Å; F57-N73 HydrophobicContact CZ-CB 3.88Å; S69-N73 WeakPolarHBondContact O-CB 3.47Å; S69-N73 PolarHBondContact O-N 3.27Å; S69-N73 PolarHBondContact O-ND2 3.06Å; I71-N73 PolarHBondContact O-N 3.04Å; N73-L77 WeakPolarHBondContact O-CB 3.46Å; N73-L77 PolarHBondContact O-N 3.27Å
74A93.3Very high89.2Confident0 Ų086.4 Ų86.40%042%0.421CS..Hα-helixtrans-69.4-40.3170.500000112.3I50 D53 A54 F57 D70 I71 L77 K78I50-A74 HydrophobicContact CG2-CB 4.21Å; D53-A74 HydrophobicContact CB-CB 3.9Å; A54-A74 HydrophobicContact CB-CB 4.16Å; F57-A74 HydrophobicContact CD2-CB 4.42Å; F57-A74 HydrophobicContact CE2-CB 4.4Å; D70-A74 PolarHBondContact O-N 3.35Å; I71-A74 CarbonylContact O-C 3.55Å; I71-A74 WeakPolarHBondContact O-CA 3.18Å; I71-A74 WeakPolarHBondContact O-CB 3.48Å; I71-A74 PolarHBondContact O-N 2.94Å; A74-L77 WeakPolarHBondContact O-CB 3.46Å; A74-L77 PolarHBondContact O-N 3.48Å; A74-K78 WeakPolarHBondContact O-CG 3.37Å; A74-K78 PolarHBondContact O-N 3.15Å; A74-K78 VanDerWaalsContact O-N 3.14Å
75L91.4Very high88.8Confident12 Ų1279.8 Ų79.86%0.06342%0.419CS..Hα-helixtrans-62-47.8174.4-67.5174.8000111.1I50 I71 L77 K78 N79 V80 L83I50-L75 HydrophobicContact CD1-CD2 3.99Å; I50-L75 HydrophobicContact CG2-CD2 4.32Å; I71-L75 HydrophobicContact CG2-CD1 4.3Å; I71-L75 HydrophobicContact CG2-CG 4.31Å; I71-L75 WeakPolarHBondContact O-CG 3.48Å; I71-L75 PolarHBondContact O-N 3.03Å; L75-L77 VanDerWaalsContact C-N 3.3Å; L75-L77 PolarHBondContact O-N 3.39Å; L75-K78 CarbonylContact O-C 3.52Å; L75-K78 PolarHBondContact O-N 2.83Å; L75-N79 PolarHBondContact O-N 3.14Å; L75-N79 VanDerWaalsContact O-N 3.15Å; L75-V80 HydrophobicContact CB-CB 4.27Å; L75-V80 HydrophobicContact CD2-CB 4.06Å; L75-V80 HydrophobicContact CD2-CG1 3.95Å; L75-V80 PolarHBondContact O-N 3.46Å; L75-L83 HydrophobicContact CD1-CD1 4.16Å; L75-L83 HydrophobicContact CD1-CG 4.11Å
76K91.3Very high88.3Confident109 Ų10977.1 Ų77.147%0.47441%0.408SS..Hα-helixtrans-57.2-40.8173.4-71.1162.4-165.7162.40112.3D72 K78 N79D72-K76 WeakPolarHBondContact O-CB 3.4Å; D72-K76 VanDerWaalsContact O-CD 3.31Å; D72-K76 WeakPolarHBondContact O-CD 3.43Å; D72-K76 WeakPolarHBondContact O-CG 3.35Å; D72-K76 PolarHBondContact O-N 3.35Å; K76-K78 PolarHBondContact O-N 2.98Å; K76-N79 PolarHBondContact O-N 2.69Å
77L91.5Very high87.6Confident100 Ų10082.3 Ų82.352%0.52443%0.43SS..Hα-helixtrans-63.6-28.7176.5-176.566000112.9F57 N73 A74 L75F57-L77 HydrophobicContact CE2-CD2 4.23Å; F57-L77 HydrophobicContact CZ-CD2 4.41Å; N73-L77 WeakPolarHBondContact O-CB 3.46Å; N73-L77 PolarHBondContact O-N 3.27Å; A74-L77 WeakPolarHBondContact O-CB 3.46Å; A74-L77 PolarHBondContact O-N 3.48Å; L75-L77 VanDerWaalsContact C-N 3.3Å; L75-L77 PolarHBondContact O-N 3.39Å
78K89.3Confident86.6Confident69 Ų6983.7 Ų83.730%0.344%0.442SS..THydrogen-bonded Turntrans-87.5-2.6173.5-60.8-61179.4-168.20114E49 D53 A74 L75 K76 V80E49-K78 WeakPolarHBondContact OE1-CE 3.27Å; E49-K78 IonicContact OE1-NZ 2.68Å; E49-K78 PolarHBondContact OE1-NZ 2.94Å; D53-K78 WeakPolarHBondContact OD2-CE 3.39Å; D53-K78 IonicContact OD2-NZ 2.77Å; D53-K78 PolarHBondContact OD2-NZ 2.91Å; A74-K78 WeakPolarHBondContact O-CG 3.37Å; A74-K78 PolarHBondContact O-N 3.15Å; A74-K78 VanDerWaalsContact O-N 3.14Å; L75-K78 CarbonylContact O-C 3.52Å; L75-K78 PolarHBondContact O-N 2.83Å; K76-K78 PolarHBondContact O-N 2.98Å; K78-V80 HydrophobicContact CB-CG2 3.87Å; K78-V80 PolarHBondContact O-N 2.76Å
79N90.9Very high85.4Confident152 Ų15290.3 Ų90.381%0.81347%0.468SS*.THydrogen-bonded Turntrans58.830.7-168-47.1-81.4000113.5L75 K76L75-N79 PolarHBondContact O-N 3.14Å; L75-N79 VanDerWaalsContact O-N 3.15Å; K76-N79 PolarHBondContact O-N 2.69Å
80V89.4Confident84.5Confident73 Ų7395.5 Ų95.544%0.44249%0.487SS..PPolyproline II helixtrans-86.2143.4170.1-179.60000108.9L75 K78L75-V80 HydrophobicContact CB-CB 4.27Å; L75-V80 HydrophobicContact CD2-CB 4.06Å; L75-V80 HydrophobicContact CD2-CG1 3.95Å; L75-V80 PolarHBondContact O-N 3.46Å; K78-V80 HydrophobicContact CB-CG2 3.87Å; K78-V80 PolarHBondContact O-N 2.76Å
81E85.1Confident83.7Confident168 Ų168103.6 Ų103.679%0.78552%0.522SS*.PPolyproline II helixtrans-60136.6-179.9-61.4-171.215600111.6
82P79.4Confident82.9Confident44 Ų44105.1 Ų105.129%0.28653%0.53SS..PPolyproline II helixtrans-63.9135.2178-22.634000112.5Y84P82-Y84 WeakPolarHBondContact O-CD2 3.49Å; P82-Y84 VanDerWaalsContact O-CE2 3.3Å; P82-Y84 WeakPolarHBondContact O-CE2 3.28Å; P82-Y84 PolarHBondContact O-N 3.22Å
83L83.8Confident82.1Confident108 Ų108106.2 Ų106.257%0.56554%0.539SS*.  trans-84.4106.6176.1-63.6176.8000110.3L75 F86L75-L83 HydrophobicContact CD1-CD1 4.16Å; L75-L83 HydrophobicContact CD1-CG 4.11Å; L83-F86 HydrophobicContact CB-CD2 3.89Å; L83-F86 HydrophobicContact CB-CE2 3.96Å
84Y84.9Confident81.5Confident196 Ų196109.3 Ų109.377%0.76955%0.55SS**THydrogen-bonded Turntrans-75.6157.2178-58-78.4000112.1P82P82-Y84 WeakPolarHBondContact O-CD2 3.49Å; P82-Y84 VanDerWaalsContact O-CE2 3.3Å; P82-Y84 WeakPolarHBondContact O-CE2 3.28Å; P82-Y84 PolarHBondContact O-N 3.22Å
85G81.3Confident80.8Confident73 Ų73115 Ų11575%0.75357%0.571SS**THydrogen-bonded Turntrans98.2-26.2177.800000115.6Q87G85-Q87 PolarHBondContact O-N 2.61Å
86F78.5Confident80.1Confident119 Ų119119.8 Ų119.852%0.52259%0.592SS.*THydrogen-bonded Turntrans-7940.9-174.1-61.7-79.4000115.1T68 L83T68-F86 WeakPolarHBondContact CB-O 3.45Å; T68-F86 HydrophobicContact CG2-CB 4.14Å; T68-F86 WeakPolarHBondContact CG2-O 3.44Å; T68-F86 PolarHBondContact OG1-O 2.96Å; L83-F86 HydrophobicContact CB-CD2 3.89Å; L83-F86 HydrophobicContact CB-CE2 3.96Å
87Q74Confident79.4Confident180 Ų180116.6 Ų116.684%0.84159%0.586SS**THydrogen-bonded Turntrans-122.16.4-177-158.2166.82.800114.2G85G85-Q87 PolarHBondContact O-N 2.61Å
88S69.3Low78.4Confident75 Ų75115.8 Ų115.852%0.52459%0.589SS.*  trans-60.4143.9170.6-172.20000111.6E90S88-E90 PolarHBondContact OG-N 3.49Å; S88-E90 VanDerWaalsContact OG-N 3.12Å
89Q65Low77.1Confident204 Ų204114.9 Ų114.995%0.95360%0.599SS**SBendtrans-86.8-15170.1-60.9-174.42500112.3
90E70Confident75.8Confident159 Ų159112 Ų11274%0.74361%0.605SS**SBendtrans-87.9140.2179.5-172.9161.3-150.600110.9S88 I92S88-E90 PolarHBondContact OG-N 3.49Å; S88-E90 VanDerWaalsContact OG-N 3.12Å; E90-I92 PolarHBondContact O-N 3.45Å
91F74.3Confident74.9Confident174 Ų174112.4 Ų112.476%0.76362%0.624SS**  trans-78.3110.8177172.7-104000109.8P93F91-P93 HydrophobicContact CE1-CB 3.94Å; F91-P93 VanDerWaalsContact O-CD 3.28Å; F91-P93 WeakPolarHBondContact O-CD 3.49Å
92I75.6Confident74.1Confident94 Ų94111 Ų11148%0.48261%0.611SS.*  trans-84.9110.7175.4-50.1176.5000108.3E90 Y107E90-I92 PolarHBondContact O-N 3.45Å; I92-Y107 HydrophobicContact CG2-CD1 3.81Å; I92-Y107 HydrophobicContact CG2-CE1 4.43Å
93P75.3Confident74Confident61 Ų61115.5 Ų115.540%0.39663%0.629SS.*PPolyproline II helixtrans-77.1143179.732-34.5000111.4F91 R95F91-P93 HydrophobicContact CE1-CB 3.94Å; F91-P93 VanDerWaalsContact O-CD 3.28Å; F91-P93 WeakPolarHBondContact O-CD 3.49Å; P93-R95 PolarHBondContact O-N 2.87Å
94F77.8Confident73.6Confident126 Ų126115.4 Ų115.455%0.55363%0.628SS**EExtended strand (participates in β ladder)trans-64.8130.2164.3-65.4-79.8000109.9Y107F94-Y107 HydrophobicContact CD1-CD1 4.39Å; F94-Y107 AromaticContact CD1-CE1 3.9Å; F94-Y107 HydrophobicContact CD1-CE1 3.9Å; F94-Y107 HydrophobicContact CE1-CD1 4.47Å; F94-Y107 AromaticContact CE1-CE1 3.6Å; F94-Y107 HydrophobicContact CE1-CE1 3.6Å; F94-Y107 HydrophobicContact CE1-CE2 4.09Å; F94-Y107 AromaticContact CE1-CZ 3.39Å; F94-Y107 VanDerWaalsContact CE1-OH 3.29Å; F94-Y107 WeakPolarHBondContact CE1-OH 3.26Å; F94-Y107 HydrophobicContact CZ-CE1 4.04Å; F94-Y107 AromaticContact CZ-CZ 3.85Å; F94-Y107 VanDerWaalsContact CZ-OH 3.3Å; F94-Y107 WeakPolarHBondContact CZ-OH 3.37Å
95R78.3Confident73.4Confident118 Ų118111.9 Ų111.945%0.44562%0.619SS.*EExtended strand (participates in β ladder)trans-93146.7167.3-63.7-56.1-159.1160.511.8109.9P93 H105 F106 E108P93-R95 PolarHBondContact O-N 2.87Å; R95-H105 VanDerWaalsContact O-CA 3.3Å; R95-H105 WeakPolarHBondContact O-CA 3.39Å; R95-F106 HydrophobicContact CB-CD1 3.91Å; R95-F106 HydrophobicContact CB-CD2 4.42Å; R95-F106 HydrophobicContact CB-CE1 3.47Å; R95-F106 VanDerWaalsContact CB-CE1 3.47Å; R95-F106 HydrophobicContact CB-CE2 4.03Å; R95-F106 HydrophobicContact CB-CG 4.36Å; R95-F106 HydrophobicContact CB-CZ 3.54Å; R95-F106 HydrophobicContact CG-CE2 4.45Å; R95-F106 HydrophobicContact CG-CZ 4.24Å; R95-F106 PolarHBondContact N-O 3.46Å; R95-F106 WeakPolarHBondContact O-CD1 3.38Å; R95-F106 PolarHBondContact O-N 3.22Å; R95-E108 HydrophobicContact CG-CB 3.92Å; R95-E108 IonicContact CZ-OE2 2.65Å; R95-E108 IonicContact NE-OE2 3.98Å; R95-E108 PolarHBondContact NE-OE2 2.89Å; R95-E108 IonicContact NH2-OE1 2.75Å; R95-E108 IonicContact NH2-OE2 3.71Å; R95-E108 PolarHBondContact NH2-OE2 2.73Å
96F78.3Confident73.4Confident113 Ų113113 Ų11350%0.49660%0.603SS.*EExtended strand (participates in β ladder)trans-106.3129.8178.2176.8-94.2000110E103 H105F96-E103 HydrophobicContact CE2-CB 3.91Å; F96-E103 HydrophobicContact CE2-CG 3.91Å; F96-E103 HydrophobicContact CZ-CB 4.37Å; F96-E103 HydrophobicContact CZ-CG 3.94Å; F96-H105 AromaticContact CD2-CE1 3.8Å; F96-H105 AromaticContact CD2-NE2 3.77Å
97A74.6Confident73.5Confident42 Ų42112.6 Ų112.635%0.34760%0.599SS.*EExtended strand (participates in β ladder)trans-124.8130.6167.500000109.2L104 F106A97-L104 PolarHBondContact N-O 3.23Å; A97-L104 PolarHBondContact O-N 3.01Å; A97-F106 HydrophobicContact CB-CD1 4.24Å; A97-F106 HydrophobicContact CB-CE1 3.91Å
98S70.8Confident73.7Confident83 Ų83109.2 Ų109.258%0.5858%0.583SS**EExtended strand (participates in β ladder)trans-114.4124.4171.1-174.10000108.7
99G62.5Low74Confident50 Ų50114.1 Ų114.152%0.51560%0.597SS.*EExtended strand (participates in β ladder)trans-160.2138.1-176.900000110.8G101 R102G99-G101 PolarHBondContact O-N 3.45Å; G99-G101 VanDerWaalsContact O-N 3.09Å; G99-R102 PolarHBondContact N-O 3.08Å; G99-R102 PolarHBondContact O-N 3.25Å
100G63.9Low74.8Confident92 Ų92112.6 Ų112.695%0.94859%0.588SS**THydrogen-bonded Turntrans62.715.7178.700000115.7
101G70.3Confident75.4Confident81 Ų81113.9 Ų113.984%0.83559%0.594SS**THydrogen-bonded Turntrans83.57.9-179.400000115.5G99G99-G101 PolarHBondContact O-N 3.45Å; G99-G101 VanDerWaalsContact O-N 3.09Å
102R68.8Low75.8Confident138 Ų138109.8 Ų109.852%0.52158%0.583SS.*EExtended strand (participates in β ladder)trans-109144.1167.4-67.8-178.9173.2-172.5-4.1109.8E24 G99E24-R102 IonicContact OE1-CZ 2.68Å; E24-R102 IonicContact OE1-NH1 2.68Å; E24-R102 IonicContact OE1-NH2 2.68Å; E24-R102 PolarHBondContact OE1-NH2 3.35Å; E24-R102 IonicContact OE2-CZ 3.12Å; E24-R102 IonicContact OE2-NH1 3.1Å; E24-R102 PolarHBondContact OE2-NH1 2.92Å; E24-R102 IonicContact OE2-NH2 3.27Å; E24-R102 PolarHBondContact OE2-NH2 2.91Å; G99-R102 PolarHBondContact N-O 3.08Å; G99-R102 PolarHBondContact O-N 3.25Å
103E75.8Confident76.6Confident139 Ų139109.6 Ų109.665%0.6558%0.583SS**EExtended strand (participates in β ladder)trans-94.5127.2172.1-66.7-170.5166.700109.9F96F96-E103 HydrophobicContact CE2-CB 3.91Å; F96-E103 HydrophobicContact CE2-CG 3.91Å; F96-E103 HydrophobicContact CZ-CB 4.37Å; F96-E103 HydrophobicContact CZ-CG 3.94Å
104L76.1Confident77.3Confident107 Ų107112.6 Ų112.656%0.5660%0.595SS**EExtended strand (participates in β ladder)trans-125.1132.3-176.8-70.1168.9000110.7A97A97-L104 PolarHBondContact N-O 3.23Å; A97-L104 PolarHBondContact O-N 3.01Å
105H80.9Confident77.9Confident122 Ų122109.3 Ų109.357%0.56559%0.587SS**EExtended strand (participates in β ladder)trans-108.6130.7172.7-67.878.5000108.7R95 F96R95-H105 VanDerWaalsContact O-CA 3.3Å; R95-H105 WeakPolarHBondContact O-CA 3.39Å; F96-H105 AromaticContact CD2-CE1 3.8Å; F96-H105 AromaticContact CD2-NE2 3.77Å
106F80.7Confident78.3Confident97 Ų97108.6 Ų108.643%0.42559%0.593SS.*EExtended strand (participates in β ladder)trans-138.7160.7-177.472-77.9000111.7R95 A97R95-F106 HydrophobicContact CB-CD1 3.91Å; R95-F106 HydrophobicContact CB-CD2 4.42Å; R95-F106 HydrophobicContact CB-CE1 3.47Å; R95-F106 VanDerWaalsContact CB-CE1 3.47Å; R95-F106 HydrophobicContact CB-CE2 4.03Å; R95-F106 HydrophobicContact CB-CG 4.36Å; R95-F106 HydrophobicContact CB-CZ 3.54Å; R95-F106 HydrophobicContact CG-CE2 4.45Å; R95-F106 HydrophobicContact CG-CZ 4.24Å; R95-F106 PolarHBondContact N-O 3.46Å; R95-F106 WeakPolarHBondContact O-CD1 3.38Å; R95-F106 PolarHBondContact O-N 3.22Å; A97-F106 HydrophobicContact CB-CD1 4.24Å; A97-F106 HydrophobicContact CB-CE1 3.91Å
107Y80.9Confident78.7Confident110 Ų110108 Ų10843%0.43159%0.593SS.*EExtended strand (participates in β ladder)trans-92133.6169.8-65.4-69.1000109.7I92 F94 E109I92-Y107 HydrophobicContact CG2-CD1 3.81Å; I92-Y107 HydrophobicContact CG2-CE1 4.43Å; F94-Y107 HydrophobicContact CD1-CD1 4.39Å; F94-Y107 AromaticContact CD1-CE1 3.9Å; F94-Y107 HydrophobicContact CD1-CE1 3.9Å; F94-Y107 HydrophobicContact CE1-CD1 4.47Å; F94-Y107 AromaticContact CE1-CE1 3.6Å; F94-Y107 HydrophobicContact CE1-CE1 3.6Å; F94-Y107 HydrophobicContact CE1-CE2 4.09Å; F94-Y107 AromaticContact CE1-CZ 3.39Å; F94-Y107 VanDerWaalsContact CE1-OH 3.29Å; F94-Y107 WeakPolarHBondContact CE1-OH 3.26Å; F94-Y107 HydrophobicContact CZ-CE1 4.04Å; F94-Y107 AromaticContact CZ-CZ 3.85Å; F94-Y107 VanDerWaalsContact CZ-OH 3.3Å; F94-Y107 WeakPolarHBondContact CZ-OH 3.37Å; Y107-E109 PolarHBondContact O-N 2.93Å
108E77.7Confident79.5Confident108 Ų108112.7 Ų112.751%0.50561%0.611SS.*  trans-85.384.5174.5-173.9179.8-169.700109.3R95 K110R95-E108 HydrophobicContact CG-CB 3.92Å; R95-E108 IonicContact CZ-OE2 2.65Å; R95-E108 IonicContact NE-OE2 3.98Å; R95-E108 PolarHBondContact NE-OE2 2.89Å; R95-E108 IonicContact NH2-OE1 2.75Å; R95-E108 IonicContact NH2-OE2 3.71Å; R95-E108 PolarHBondContact NH2-OE2 2.73Å; E108-K110 PolarHBondContact O-N 2.87Å
109E77.1Confident80.4Confident178 Ų178114.8 Ų114.883%0.83262%0.616SS**  trans-73.390.1174.2-69.2-174.8-168.400109.9Y107Y107-E109 PolarHBondContact O-N 2.93Å
110K80.1Confident81.6Confident173 Ų173116.8 Ų116.875%0.75262%0.618SS**  trans-77.2123.3175-172.8-167.1168.6-168.70110.2E108E108-K110 PolarHBondContact O-N 2.87Å
111E83.6Confident82.8Confident185 Ų185117.9 Ų117.986%0.86461%0.609SS**  trans-60.7139.2169.4-62.2179.4175.400111.6
112V83.6Confident83.6Confident89 Ų89122 Ų12254%0.53961%0.61SS.*  trans-130.1135.4-179.3-177.50000108.4I117V112-I117 HydrophobicContact CG1-CD1 4.2Å; V112-I117 HydrophobicContact CG1-CG1 3.99Å
113D90.8Very high84.4Confident89 Ų89120.9 Ų120.948%0.47662%0.621SS.*  trans-71140.3177.3-17419.6000111.4S115 D116 I117D113-S115 PolarHBondContact O-N 3.22Å; D113-S115 PolarHBondContact OD1-N 2.95Å; D113-S115 WeakPolarHBondContact OD2-CB 2.96Å; D113-S115 PolarHBondContact OD2-OG 3.47Å; D113-D116 PolarHBondContact O-N 3.36Å; D113-D116 VanDerWaalsContact O-N 3.14Å; D113-I117 PolarHBondContact O-N 2.89Å
114L90.5Very high84.9Confident125 Ų125126 Ų12665%0.65464%0.635SS**Hα-helixtrans-60.3-30.9175-61.9174.8000111.2D116 I117 I118L114-D116 VanDerWaalsContact C-N 3.35Å; L114-D116 PolarHBondContact O-N 2.89Å; L114-I117 PolarHBondContact O-N 3.41Å; L114-I118 WeakPolarHBondContact O-CD1 3.47Å; L114-I118 VanDerWaalsContact O-CG1 3.26Å; L114-I118 WeakPolarHBondContact O-CG1 3.42Å; L114-I118 PolarHBondContact O-N 3.16Å
115S91Very high85.5Confident56 Ų56127.3 Ų127.339%0.39265%0.647SS.*Hα-helixtrans-59.2-42.9174.6-44.40000112.3D113 I118 N119D113-S115 PolarHBondContact O-N 3.22Å; D113-S115 PolarHBondContact OD1-N 2.95Å; D113-S115 WeakPolarHBondContact OD2-CB 2.96Å; D113-S115 PolarHBondContact OD2-OG 3.47Å; S115-I118 PolarHBondContact O-N 3.27Å; S115-N119 WeakPolarHBondContact O-CB 3.41Å; S115-N119 PolarHBondContact O-N 3.2Å; S115-N119 PolarHBondContact O-ND2 3.42Å
116D86.5Confident86Confident104 Ų104126.9 Ų126.956%0.55666%0.655SS**Hα-helixtrans-69.3-37.9-179.3-72-21.6000111.2D113 L114 N119 T120D113-D116 PolarHBondContact O-N 3.36Å; D113-D116 VanDerWaalsContact O-N 3.14Å; L114-D116 VanDerWaalsContact C-N 3.35Å; L114-D116 PolarHBondContact O-N 2.89Å; D116-N119 PolarHBondContact O-N 3.29Å; D116-T120 PolarHBondContact O-N 2.72Å; D116-T120 PolarHBondContact O-OG1 3.32Å
117I86.4Confident86.5Confident100 Ų100130.4 Ų130.451%0.51368%0.677SS.*Hα-helixtrans-64.4-44176.1-61172.2000110.5V112 D113 L114 N119 T120V112-I117 HydrophobicContact CG1-CD1 4.2Å; V112-I117 HydrophobicContact CG1-CG1 3.99Å; D113-I117 PolarHBondContact O-N 2.89Å; L114-I117 PolarHBondContact O-N 3.41Å; I117-N119 VanDerWaalsContact C-N 3.35Å; I117-N119 PolarHBondContact O-N 3.09Å; I117-T120 WeakPolarHBondContact O-CB 3.39Å; I117-T120 PolarHBondContact O-N 2.65Å
118I91.4Very high87Confident140 Ų140132.7 Ų132.772%0.71870%0.697SS**Hα-helixtrans-66.6-35.9178.3-68.2164.2000111.7L114 S115 T120L114-I118 WeakPolarHBondContact O-CD1 3.47Å; L114-I118 VanDerWaalsContact O-CG1 3.26Å; L114-I118 WeakPolarHBondContact O-CG1 3.42Å; L114-I118 PolarHBondContact O-N 3.16Å; S115-I118 PolarHBondContact O-N 3.27Å; I118-T120 VanDerWaalsContact C-N 3.32Å
119N90.7Very high87.6Confident128 Ų128134.6 Ų134.668%0.68472%0.716SS**Hα-helixtrans-82.7-4.6178.1-72-60.4000113.9S115 D116 I117S115-N119 WeakPolarHBondContact O-CB 3.41Å; S115-N119 PolarHBondContact O-N 3.2Å; S115-N119 PolarHBondContact O-ND2 3.42Å; D116-N119 PolarHBondContact O-N 3.29Å; I117-N119 VanDerWaalsContact C-N 3.35Å; I117-N119 PolarHBondContact O-N 3.09Å
120T87.1Confident88.4Confident92 Ų92131.2 Ų131.256%0.56471%0.712SS**SBendtrans-68.3125.5180-69.90000110.8D116 I117 I118D116-T120 PolarHBondContact O-N 2.72Å; D116-T120 PolarHBondContact O-OG1 3.32Å; I117-T120 WeakPolarHBondContact O-CB 3.39Å; I117-T120 PolarHBondContact O-N 2.65Å; I118-T120 VanDerWaalsContact C-N 3.32Å
121P88.4Confident88.9Confident115 Ų115131.2 Ų131.275%0.74772%0.719SS**PPolyproline II helixtrans-68.2137-176.627.1-34.8000112.1
122L86.7Confident89.1Confident166 Ų166129.6 Ų129.687%0.86971%0.709SS**PPolyproline II helixtrans-54.1135.7179.3-72.2154.5000112.2
123P85.7Confident89.3Confident116 Ų116130.3 Ų130.375%0.75372%0.724SS**PPolyproline II helixtrans-66.3150.6178.728.3-35.1000111.6V125P123-V125 PolarHBondContact O-N 2.7Å
124R86.9Confident89.1Confident246 Ų246130.2 Ų130.293%0.92872%0.721SS**PPolyproline II helixtrans-70.9122.4177.8-65-175.2-178.2-173.81.5110.5
125V89.4Confident88.8Confident135 Ų135132.3 Ų132.382%0.81872%0.72SS**PPolyproline II helixtrans-65.6131174.5-170.70000109.6P123P123-V125 PolarHBondContact O-N 2.7Å
126P90.5Very high88.5Confident112 Ų112135 Ų13573%0.72773%0.729SS**PPolyproline II helixtrans-62164.3171.8-23.835.1000113.2
127L90.4Very high88.3Confident172 Ų172132.8 Ų132.890%0.90172%0.722SS**PPolyproline II helixtrans-73.2148.7169-67.8171.9000111.1
128D91.4Very high88Confident157 Ų157131.6 Ų131.684%0.8472%0.716SS**PPolyproline II helixtrans-60.1150.5174.6-76-48.9000113.2S130D128-S130 PolarHBondContact O-N 2.97Å
129V92.1Very high87.1Confident148 Ų148129.3 Ų129.390%0.89770%0.703SS**PPolyproline II helixtrans-66119.8-179-177.30000110.4
130S92.5Very high86.4Confident107 Ų107126.6 Ų126.675%0.74871%0.705SS**  trans-129.2149.1177.552.10000111.5D128D128-S130 PolarHBondContact O-N 2.97Å
131L91.4Very high86Confident174 Ų174127.3 Ų127.391%0.91171%0.709SS**  trans-104.2118.7-177.2-66.9174.2000110.7
132K88.6Confident85.7Confident150 Ų150124.5 Ų124.565%0.65269%0.685SS**  trans-107.8102.8172.8-176.9-177171.1-172.70110.4E147K132-E147 WeakPolarHBondContact CE-OE1 3.39Å; K132-E147 IonicContact NZ-OE1 3.82Å; K132-E147 PolarHBondContact NZ-OE1 2.89Å
133A86.9Confident85.4Confident104 Ų104118.1 Ų118.186%0.8665%0.654SS**  trans-74.9145.8174.300000112
134H85.8Confident85.2Confident88 Ų88117.7 Ų117.741%0.40765%0.654SS.*  trans-151.4165.5172.963.3-92.7000110.1L136 I145 E147H134-L136 PolarHBondContact O-N 3.31Å; H134-I145 HydrophobicContact CB-CD1 3.85Å; H134-E147 HydrophobicContact CB-CB 4.34Å; H134-E147 HydrophobicContact CB-CG 4.46Å
135W84.1Confident85Confident169 Ų169108.6 Ų108.664%0.6462%0.623SS**  trans-82.2102.6178.5-71.197.8000111.2I138 P143 N148W135-I138 HydrophobicContact CB-CD1 4.5Å; W135-I138 HydrophobicContact CB-CG1 4.42Å; W135-I138 HydrophobicContact CD2-CG1 4.41Å; W135-I138 HydrophobicContact CE3-CG1 4.1Å; W135-I138 HydrophobicContact CG-CD1 4.49Å; W135-P143 HydrophobicContact CB-CG 4.13Å; W135-P143 VanDerWaalsContact O-CG 3.23Å; W135-P143 WeakPolarHBondContact O-CG 3.39Å; W135-N148 PolarHBondContact O-ND2 3.35Å
136L85.3Confident84.6Confident111 Ų111108.2 Ų108.258%0.58162%0.624SS**SBendtrans-67.5-39.6174.6-179.163.6000112H134 Q142H134-L136 PolarHBondContact O-N 3.31Å; L136-Q142 WeakPolarHBondContact O-CG 3.46Å
137S82.1Confident84.4Confident58 Ų58106.7 Ų106.741%0.40661%0.607SS.*  trans-153.3158.117464.90000111.9V141S137-V141 CarbonylContact C-O 3.58Å; S137-V141 VanDerWaalsContact CA-O 3.3Å; S137-V141 WeakPolarHBondContact CA-O 3.49Å
138I79.7Confident84.2Confident75 Ų7599.1 Ų99.139%0.38557%0.567SS.*BIsolated β-bridgetrans-133.7120173.8-57.9175.8000105.9W135 G140 V141 P143W135-I138 HydrophobicContact CB-CD1 4.5Å; W135-I138 HydrophobicContact CB-CG1 4.42Å; W135-I138 HydrophobicContact CD2-CG1 4.41Å; W135-I138 HydrophobicContact CE3-CG1 4.1Å; W135-I138 HydrophobicContact CG-CD1 4.49Å; I138-G140 PolarHBondContact O-N 2.95Å; I138-G140 VanDerWaalsContact O-N 3.11Å; I138-V141 PolarHBondContact N-O 3.21Å; I138-V141 PolarHBondContact O-N 3.11Å; I138-P143 HydrophobicContact CD1-CG 4.45Å
139E72.4Confident83.8Confident93 Ų9395.3 Ų95.344%0.43555%0.551SS.*THydrogen-bonded Turntrans51.932.4-175.2-67.7169.1-175.200113.8V141 Y245 K291 Y292E139-V141 VanDerWaalsContact C-N 3.25Å; E139-V141 PolarHBondContact O-N 3Å; E139-Y245 HydrophobicContact CG-CE1 4.04Å; E139-Y245 WeakPolarHBondContact CG-OH 3.39Å; E139-Y245 PolarHBondContact OE1-OH 3.21Å; E139-K291 VanDerWaalsContact OE1-CD 3.28Å; E139-K291 WeakPolarHBondContact OE1-CD 3.33Å; E139-K291 IonicContact OE1-NZ 3.5Å; E139-K291 PolarHBondContact OE1-NZ 3.05Å; E139-K291 IonicContact OE2-NZ 2.72Å; E139-K291 PolarHBondContact OE2-NZ 2.7Å; E139-Y292 PolarHBondContact OE1-OH 3.11Å
140G76.8Confident83.1Confident71 Ų7193.6 Ų93.673%0.73254%0.543SS*.THydrogen-bonded Turntrans80-5-177.400000115.1I138I138-G140 PolarHBondContact O-N 2.95Å; I138-G140 VanDerWaalsContact O-N 3.11Å
141V79.3Confident81.8Confident106 Ų10693.2 Ų93.264%0.64254%0.538SS*.BIsolated β-bridgetrans-91.5129.7172.1-176.40000109.5S137 I138 E139 P143S137-V141 CarbonylContact C-O 3.58Å; S137-V141 VanDerWaalsContact CA-O 3.3Å; S137-V141 WeakPolarHBondContact CA-O 3.49Å; I138-V141 PolarHBondContact N-O 3.21Å; I138-V141 PolarHBondContact O-N 3.11Å; E139-V141 VanDerWaalsContact C-N 3.25Å; E139-V141 PolarHBondContact O-N 3Å; V141-P143 WeakPolarHBondContact O-CD 3.45Å
142Q81.5Confident80.5Confident56 Ų5686.6 Ų86.626%0.26251%0.508SS..PPolyproline II helixtrans-78.4121.2174.8-179156.243.300110.4L136 N148L136-Q142 WeakPolarHBondContact O-CG 3.46Å; Q142-N148 HydrophobicContact CG-CB 3.99Å; Q142-N148 PolarHBondContact NE2-OD1 2.98Å
143P81.6Confident79.5Confident33 Ų3381.6 Ų81.621%0.21449%0.492CS..PPolyproline II helixtrans-75.8140177.730.5-33.8000111.1W135 I138 V141 I145 N148W135-P143 HydrophobicContact CB-CG 4.13Å; W135-P143 VanDerWaalsContact O-CG 3.23Å; W135-P143 WeakPolarHBondContact O-CG 3.39Å; I138-P143 HydrophobicContact CD1-CG 4.45Å; V141-P143 WeakPolarHBondContact O-CD 3.45Å; P143-I145 PolarHBondContact O-N 2.84Å; P143-N148 PolarHBondContact O-ND2 3.38Å
144S81.1Confident78.2Confident107 Ų10785.2 Ų85.275%0.74849%0.489SS*.  trans-75.660.9-179.1-49.40000113.3
145I81.9Confident77Confident54 Ų5488 Ų8828%0.27750%0.502SS..  trans-91.3153.9170.559.1174.1000110.7H134 P143 E147 N148H134-I145 HydrophobicContact CB-CD1 3.85Å; P143-I145 PolarHBondContact O-N 2.84Å; I145-E147 HydrophobicContact CD1-CB 4.26Å; I145-E147 HydrophobicContact CG1-CB 4.46Å; I145-E147 PolarHBondContact O-N 2.96Å; I145-E147 VanDerWaalsContact O-N 3.11Å; I145-N148 HydrophobicContact CG1-CB 3.96Å; I145-N148 WeakPolarHBondContact CG1-ND2 3.23Å; I145-N148 PolarHBondContact O-N 2.83Å
146P81.9Confident76Confident128 Ų12885.2 Ų85.283%0.83150%0.496SS*.THydrogen-bonded Turntrans-59.8-22.7-177.9-25.135.6000115.3
147E85.2Confident74.7Confident79 Ų7984 Ų8437%0.36949%0.487SS..THydrogen-bonded Turntrans-77.1-21.1176.1-64.877.4-174.200113.7K132 H134 I145K132-E147 WeakPolarHBondContact CE-OE1 3.39Å; K132-E147 IonicContact NZ-OE1 3.82Å; K132-E147 PolarHBondContact NZ-OE1 2.89Å; H134-E147 HydrophobicContact CB-CB 4.34Å; H134-E147 HydrophobicContact CB-CG 4.46Å; I145-E147 HydrophobicContact CD1-CB 4.26Å; I145-E147 HydrophobicContact CG1-CB 4.46Å; I145-E147 PolarHBondContact O-N 2.96Å; I145-E147 VanDerWaalsContact O-N 3.11Å
148N86.1Confident73.7Confident13 Ų1388.6 Ų88.67%0.0750%0.5CS..SBendtrans-91.2147178.3-82.1-29.8000110.8W135 Q142 P143 I145W135-N148 PolarHBondContact O-ND2 3.35Å; Q142-N148 HydrophobicContact CG-CB 3.99Å; Q142-N148 PolarHBondContact NE2-OD1 2.98Å; P143-N148 PolarHBondContact O-ND2 3.38Å; I145-N148 HydrophobicContact CG1-CB 3.96Å; I145-N148 WeakPolarHBondContact CG1-ND2 3.23Å; I145-N148 PolarHBondContact O-N 2.83Å
149P83.4Confident72.7Confident78 Ų7887.7 Ų87.751%0.50650%0.504SS..PPolyproline II helixtrans-57150166.826-35.8000111.2
150P76.5Confident72.2Confident111 Ų11189.9 Ų89.972%0.72151%0.514SS*.PPolyproline II helixtrans-61148.5172.928.1-35000110.3A152P150-A152 PolarHBondContact O-N 3.03Å
151P66.4Low71.3Confident99 Ų9991.2 Ų91.264%0.64351%0.512SS*.  trans-67.394.5-177.927.2-34.6000111.2
152A63.9Low70.3Confident36 Ų3691 Ų9130%0.29851%0.511SS..  trans-59.7155172.800000111.4P150 Q156 Q157P150-A152 PolarHBondContact O-N 3.03Å; A152-Q156 HydrophobicContact CB-CB 4.16Å; A152-Q157 HydrophobicContact CB-CG 4.16Å
153S68.1Low68.7Low44 Ų4492.7 Ų92.731%0.30852%0.519SS..  trans-64.7154.4178.995.60000111E155 Q156 Q157S153-E155 WeakPolarHBondContact CB-OE2 3.47Å; S153-E155 PolarHBondContact O-N 3.27Å; S153-E155 VanDerWaalsContact O-N 3.15Å; S153-E155 PolarHBondContact OG-N 3.15Å; S153-E155 PolarHBondContact OG-OE2 2.96Å; S153-Q156 PolarHBondContact O-N 3.11Å; S153-Q156 PolarHBondContact OG-N 2.95Å; S153-Q157 PolarHBondContact O-N 3.14Å
154K59.7Low66.8Low181 Ų18196 Ų9679%0.78754%0.541SS*.Hα-helixtrans-60.7-23.3175.4-74.5-173.5174.9-177.10112.5K158K154-K158 WeakPolarHBondContact O-CB 3.42Å; K154-K158 PolarHBondContact O-N 2.83Å
155E60.5Low65Low147 Ų14798.8 Ų98.869%0.68755%0.546SS*.Hα-helixtrans-72-43.7171.2-59.699.617900112.3S153 K158 A159S153-E155 WeakPolarHBondContact CB-OE2 3.47Å; S153-E155 PolarHBondContact O-N 3.27Å; S153-E155 VanDerWaalsContact O-N 3.15Å; S153-E155 PolarHBondContact OG-N 3.15Å; S153-E155 PolarHBondContact OG-OE2 2.96Å; E155-K158 PolarHBondContact O-N 3.16Å; E155-A159 WeakPolarHBondContact O-CB 3.25Å; E155-A159 PolarHBondContact O-N 2.61Å
156Q61.6Low63.1Low109 Ų109103 Ų10351%0.50956%0.562SS.*Hα-helixtrans-62.3-51176.4-69.6175.1-51.700111.2A152 S153 K158 A159 E160A152-Q156 HydrophobicContact CB-CB 4.16Å; S153-Q156 PolarHBondContact O-N 3.11Å; S153-Q156 PolarHBondContact OG-N 2.95Å; Q156-K158 VanDerWaalsContact C-N 3.25Å; Q156-K158 PolarHBondContact O-N 3.26Å; Q156-A159 PolarHBondContact O-N 2.7Å; Q156-A159 VanDerWaalsContact O-N 3.11Å; Q156-E160 WeakPolarHBondContact O-CG 3.21Å; Q156-E160 PolarHBondContact O-N 2.96Å
157Q59Low61.4Low86 Ų86103.2 Ų103.240%0.40256%0.561SS.*Hα-helixtrans-57.6-38.7177.4-69.2-174.6-2600112.2A152 S153 S161A152-Q157 HydrophobicContact CB-CG 4.16Å; S153-Q157 PolarHBondContact O-N 3.14Å; Q157-S161 VanDerWaalsContact O-CB 3.25Å; Q157-S161 WeakPolarHBondContact O-CB 3.35Å; Q157-S161 PolarHBondContact O-N 3.31Å; Q157-S161 PolarHBondContact O-OG 2.83Å
158K59.9Low59.3Low154 Ų154104.1 Ų104.167%0.6757%0.572SS**Hα-helixtrans-67.7-43.3176.9-172.7175.9-178.8-177.40111.8K154 E155 Q156 S161 T162K154-K158 WeakPolarHBondContact O-CB 3.42Å; K154-K158 PolarHBondContact O-N 2.83Å; E155-K158 PolarHBondContact O-N 3.16Å; Q156-K158 VanDerWaalsContact C-N 3.25Å; Q156-K158 PolarHBondContact O-N 3.26Å; K158-S161 PolarHBondContact O-N 2.94Å; K158-T162 PolarHBondContact O-N 3.46Å; K158-T162 VanDerWaalsContact O-N 3.08Å; K158-T162 PolarHBondContact O-OG1 2.65Å; K158-T162 VanDerWaalsContact O-OG1 3.05Å
159A60.6Low56.8Low57 Ų57112.9 Ų112.947%0.47161%0.609SS.*Hα-helixtrans-62.2-48.917800000111.9E155 Q156 S161 T162 E163E155-A159 WeakPolarHBondContact O-CB 3.25Å; E155-A159 PolarHBondContact O-N 2.61Å; Q156-A159 PolarHBondContact O-N 2.7Å; Q156-A159 VanDerWaalsContact O-N 3.11Å; A159-S161 VanDerWaalsContact C-N 3.35Å; A159-S161 PolarHBondContact O-N 2.69Å; A159-T162 PolarHBondContact O-N 3.21Å; A159-T162 VanDerWaalsContact O-N 3.16Å; A159-T162 PolarHBondContact O-OG1 2.91Å; A159-E163 PolarHBondContact O-N 2.68Å; A159-E163 VanDerWaalsContact O-N 3.14Å
160E61.9Low54.2Low139 Ų139114.8 Ų114.865%0.6562%0.622SS**Hα-helixtrans-61.2-41.7176.7-69.2178.8161.400112Q156 T162 E163Q156-E160 WeakPolarHBondContact O-CG 3.21Å; Q156-E160 PolarHBondContact O-N 2.96Å; E160-T162 VanDerWaalsContact C-N 3.26Å; E160-T162 PolarHBondContact O-N 3.02Å; E160-E163 PolarHBondContact O-N 3.2Å
161S58Low52.1Low99 Ų99113.4 Ų113.469%0.69263%0.627SS**Hα-helixtrans-64.6-28.6176.5-60.30000113.2Q157 K158 A159Q157-S161 VanDerWaalsContact O-CB 3.25Å; Q157-S161 WeakPolarHBondContact O-CB 3.35Å; Q157-S161 PolarHBondContact O-N 3.31Å; Q157-S161 PolarHBondContact O-OG 2.83Å; K158-S161 PolarHBondContact O-N 2.94Å; A159-S161 VanDerWaalsContact C-N 3.35Å; A159-S161 PolarHBondContact O-N 2.69Å
162T57.9Low50.4Low100 Ų100118.1 Ų118.161%0.61364%0.641SS**Hα-helixtrans-84.1-26.6177.245.10000114.6K158 A159 E160K158-T162 PolarHBondContact O-N 3.46Å; K158-T162 VanDerWaalsContact O-N 3.08Å; K158-T162 PolarHBondContact O-OG1 2.65Å; K158-T162 VanDerWaalsContact O-OG1 3.05Å; A159-T162 PolarHBondContact O-N 3.21Å; A159-T162 VanDerWaalsContact O-N 3.16Å; A159-T162 PolarHBondContact O-OG1 2.91Å; E160-T162 VanDerWaalsContact C-N 3.26Å; E160-T162 PolarHBondContact O-N 3.02Å
163E47.4Very low48.7Very low93 Ų93124.8 Ų124.844%0.43567%0.666SS.*  trans-13462.4-174.8-63.6-143119.100115.6A159 E160 L165 K166A159-E163 PolarHBondContact O-N 2.68Å; A159-E163 VanDerWaalsContact O-N 3.14Å; E160-E163 PolarHBondContact O-N 3.2Å; E163-L165 PolarHBondContact O-N 3.43Å; E163-K166 IonicContact OE1-NZ 2.87Å; E163-K166 PolarHBondContact OE1-NZ 3.01Å; E163-K166 WeakPolarHBondContact OE2-CD 2.98Å; E163-K166 IonicContact OE2-NZ 3.9Å; E163-K166 PolarHBondContact OE2-NZ 3.05Å
164P42.3Very low46.8Very low103 Ų103131.9 Ų131.967%0.66969%0.694SS**THydrogen-bonded Turntrans-64.4-3.3173.528.3-36.3000114.6
165L41.8Very low45.3Very low164 Ų164132.6 Ų132.686%0.85970%0.697SS**THydrogen-bonded Turntrans-105-12.7-172.5-70.1172.1000115.4E163E163-L165 PolarHBondContact O-N 3.43Å
166K43Very low43.6Very low142 Ų142129.5 Ų129.562%0.61771%0.705SS**SBendtrans-85.5-19.4-177.5-77-144179.483.70114.9E163 V168E163-K166 IonicContact OE1-NZ 2.87Å; E163-K166 PolarHBondContact OE1-NZ 3.01Å; E163-K166 WeakPolarHBondContact OE2-CD 2.98Å; E163-K166 IonicContact OE2-NZ 3.9Å; E163-K166 PolarHBondContact OE2-NZ 3.05Å; K166-V168 VanDerWaalsContact C-N 3.29Å; K166-V168 PolarHBondContact O-N 3.08Å; K166-V168 VanDerWaalsContact O-N 3.12Å
167V46.6Very low41.9Very low134 Ų134129.4 Ų129.481%0.81272%0.723SS**SBendtrans-90.551-174.9-162.10000112.6
168V41.3Very low40.5Very low97 Ų97132.8 Ų132.859%0.58874%0.742SS**  trans-144.995.8156.5-173.40000109.8K166K166-V168 VanDerWaalsContact C-N 3.29Å; K166-V168 PolarHBondContact O-N 3.08Å; K166-V168 VanDerWaalsContact O-N 3.12Å
169K32.5Very low39.1Very low197 Ų197134.9 Ų134.986%0.85775%0.754SS**  trans-133.5105.2155.4-87.7-165.2171.5-167.40108.5
170P28.8Very low37.4Very low119 Ų119135.1 Ų135.177%0.77376%0.762SS**  trans-78.8152.7168.333.6-32.7000110.1
171G32.4Very low35.7Very low81 Ų81139 Ų13984%0.83578%0.776SS**  trans99.163.416800000116
172Q31.1Very low34.1Very low198 Ų198137.6 Ų137.693%0.92578%0.778SS**  trans-149.8116.1141.9-141.5167.10.900109.3
173E28.1Very low32.6Very low176 Ų176141.3 Ų141.382%0.82279%0.789SS**  trans-83.2138.2169.4-60.2-175.3146.900109.1
174E28.6Very low31.6Very low193 Ų193143.5 Ų143.590%0.90280%0.803SS**  trans-127.4143.9151-83.4-140.1104.300109.7
175K28.7Very low30.8Very low196 Ų196144.9 Ų144.985%0.85281%0.81SS**  trans-84.4135.6-174.5-65.7172.1-178.8173.30109.3
176G24.6Very low30.5Very low83 Ų83143 Ų14386%0.85681%0.808SS**  trans-75.6166.8-173.700000114.9
177A25.3Very low29.9Very low106 Ų106140.4 Ų140.488%0.87681%0.813SS**  trans-133.1145.7164.500000109.6
178I30.4Very low29.3Very low158 Ų158140 Ų14081%0.8181%0.812SS**  trans-115.9122.7-174.1-61171.3000110.4
179Q30.3Very low28.7Very low198 Ų198142.1 Ų142.193%0.92582%0.821SS**  trans178.9153.6154.6-100.9150.497.800109.4
180G24.1Very low28.6Very low61 Ų61140.7 Ų140.763%0.62982%0.822SS**  cis149.7108.2-9.800000112.9
181K26.1Very low28.7Very low220 Ų220144 Ų14496%0.95783%0.825SS**  trans67.5160.7-175.1-50.7172.6-178.5174.90113.6
182G24.1Very low28.4Very low71 Ų71143.4 Ų143.473%0.73282%0.819SS**  cis165.9139.6-13.800000113.7
183Q27.6Very low28.5Very low178 Ų178144 Ų14483%0.83282%0.818SS**  trans50133.2160.3-89.3-173.9-3.300123.4
184N24.9Very low28.6Very low139 Ų139144.7 Ų144.774%0.74382%0.821SS**  trans88.6145.6141.5-60-8.7000122.3
185T25.6Very low28.9Very low131 Ų131144.8 Ų144.880%0.80482%0.819SS**  trans-81.9176.5-179.850.20000113.1
186P36.7Very low29.1Very low125 Ų125138.9 Ų138.981%0.81281%0.813SS**  cis-132.8-159.510.436.5-13.7000115.1
187A29.8Very low29.8Very low88 Ų88142.6 Ų142.673%0.72781%0.813SS**  trans-77.2177.5-176.400000115
188P35.3Very low30.4Very low124 Ų124144.1 Ų144.181%0.80581%0.805SS**  -129163.5118.438.3-33.5000114.6
189D27.4Very low30.7Very low142 Ų142147.4 Ų147.476%0.75981%0.807SS**  trans-59.9153.7176-75.5-98.2000114.9
190N30.7Very low31.2Very low167 Ų167145 Ų14589%0.89380%0.8SS**  trans-148.8129.3133.2-137.2-28.5000112.3
191K30.9Very low31.8Very low190 Ų190151.2 Ų151.283%0.82681%0.809SS**  trans-92.2145.2179.7-84.5178.7176.2172.30111.2
192G26.3Very low32.2Very low68 Ų68146.1 Ų146.170%0.70180%0.799SS**  trans125.793.4145.500000117.2
193K32.3Very low32.5Very low209 Ų209153.8 Ų153.891%0.90981%0.806SS**  -17085.1126.9-103.6156.8-172.4172.10110.4K195K193-K195 PolarHBondContact O-N 3.36Å
194E29.8Very low33.1Very low191 Ų191150.3 Ų150.389%0.89380%0.801SS**  trans-70.593.4172-173.8172.1-173.200109.7
195K35.6Very low33.9Very low196 Ų196149.3 Ų149.385%0.85280%0.8SS**  trans-79.8125154.6-78.7-168.8174.3-174.30107.1K193 L197K193-K195 PolarHBondContact O-N 3.36Å; K195-L197 VanDerWaalsContact C-N 3.26Å; K195-L197 PolarHBondContact O-N 3.18Å
196G33.4Very low35.4Very low72 Ų72147 Ų14774%0.74278%0.78SS**  trans-64.878.8-178.200000113.1I198G196-I198 PolarHBondContact O-N 2.75Å
197L40.2Very low36.9Very low160 Ų160148.5 Ų148.584%0.83878%0.776SS**  trans-67.3101.4161.1178.763.8000106.7K195 R199K195-L197 VanDerWaalsContact C-N 3.26Å; K195-L197 PolarHBondContact O-N 3.18Å; L197-R199 PolarHBondContact O-N 3.02Å
198I37.6Very low39.1Very low139 Ų139144.5 Ų144.571%0.71374%0.743SS**  trans-53.5107.8167.6-63.1174.3000106.1G196 L200G196-I198 PolarHBondContact O-N 2.75Å; I198-L200 HydrophobicContact CG2-CD2 4.49Å; I198-L200 HydrophobicContact CG2-CG 4.35Å; I198-L200 PolarHBondContact O-N 3.4Å
199R37.1Very low41.6Very low227 Ų227141.8 Ų141.886%0.85773%0.726SS**  trans-71.876176.1-173.8-178.5178.4-174.50.5107.4L197 K201L197-R199 PolarHBondContact O-N 3.02Å; R199-K201 VanDerWaalsContact C-N 3.28Å; R199-K201 PolarHBondContact O-N 2.94Å
200L39Very low44.4Very low148 Ų148139.2 Ų139.278%0.77572%0.716SS**  trans-49.8100.3164.6-76.2171.1000106I198 P202I198-L200 HydrophobicContact CG2-CD2 4.49Å; I198-L200 HydrophobicContact CG2-CG 4.35Å; I198-L200 PolarHBondContact O-N 3.4Å; L200-P202 WeakPolarHBondContact O-CD 3.43Å
201K36.4Very low47.1Very low191 Ų191137.5 Ų137.583%0.8370%0.702SS**  trans-53.6113.1177.3-171.1172.8-175.4176.40104.6R199 R203R199-K201 VanDerWaalsContact C-N 3.28Å; R199-K201 PolarHBondContact O-N 2.94Å; K201-R203 PolarHBondContact O-N 2.83Å
202P36Very low49.8Very low113 Ų113130.7 Ų130.773%0.73467%0.674SS**  trans-53120.2-159.417.5-31.6000107.7L200 S204L200-P202 WeakPolarHBondContact O-CD 3.43Å; P202-S204 PolarHBondContact O-N 3.01Å
203R30.8Very low52.8Low231 Ų231131.1 Ų131.187%0.87266%0.657SS**  trans-52.1110.6-171.8177.8-178.6-179.3-177.21106K201 T205K201-R203 PolarHBondContact O-N 2.83Å; R203-T205 VanDerWaalsContact C-N 3.26Å; R203-T205 PolarHBondContact O-N 3.11Å
204S39.4Very low55.5Low106 Ų106125.9 Ų125.974%0.74164%0.639SS**  trans-64.197.4-177.7-172.40000106.3P202 H206P202-S204 PolarHBondContact O-N 3.01Å; S204-H206 PolarHBondContact O-N 2.92Å
205T42.3Very low58.4Low118 Ų118119.7 Ų119.772%0.72461%0.608SS**  trans-67.291.3171.746.10000104.4R203 E207R203-T205 VanDerWaalsContact C-N 3.26Å; R203-T205 PolarHBondContact O-N 3.11Å; T205-E207 PolarHBondContact O-N 2.74Å
206H57.3Low61.1Low82 Ų82112.8 Ų112.838%0.3858%0.577SS.*  trans-53120.2179-169.7-102.1000106.9S204 L208 Q213 R250S204-H206 PolarHBondContact O-N 2.92Å; H206-L208 PolarHBondContact ND1-O 3.05Å; H206-L208 PolarHBondContact O-N 2.85Å; H206-Q213 PolarHBondContact ND1-NE2 3.37Å; H206-R250 PolarHBondContact CE1-NH1 3.28Å; H206-R250 PolarHBondContact NE2-NH1 3.47Å
207E66.4Low63.8Low157 Ų157114.6 Ų114.673%0.73456%0.564SS**SBendtrans-60.5-13-168.4-57.815614200112.7T205 R250T205-E207 PolarHBondContact O-N 2.74Å; E207-R250 IonicContact OE2-NH2 3.22Å; E207-R250 PolarHBondContact OE2-NH2 2.91Å
208L77.1Confident66.3Low4 Ų4112.9 Ų112.92%0.02155%0.552CS.*SBendtrans-113.6126.1-177.5-158.872.4000109.9H206 Q212 Q213 Q246 M247H206-L208 PolarHBondContact ND1-O 3.05Å; H206-L208 PolarHBondContact O-N 2.85Å; L208-Q212 HydrophobicContact CD1-CB 3.65Å; L208-Q212 HydrophobicContact CD1-CG 4.18Å; L208-Q212 HydrophobicContact CD2-CB 4.1Å; L208-Q212 HydrophobicContact CG-CB 3.48Å; L208-Q212 VanDerWaalsContact CG-CB 3.48Å; L208-Q212 HydrophobicContact CG-CG 4.46Å; L208-Q213 HydrophobicContact CB-CG 4.39Å; L208-Q213 HydrophobicContact CD2-CG 4.04Å; L208-Q213 HydrophobicContact CG-CG 4.41Å; L208-Q213 PolarHBondContact O-NE2 3.41Å; L208-Q246 HydrophobicContact CD1-CB 4.04Å; L208-M247 HydrophobicContact CD1-CG 3.35Å; L208-M247 HydrophobicContact CD1-SD 4.2Å; L208-M247 HydrophobicContact CD2-CG 3.72Å; L208-M247 HydrophobicContact CD2-SD 4.14Å; L208-M247 HydrophobicContact CG-CG 4.15Å
209S86.8Confident69Low66 Ų66106.7 Ų106.746%0.46252%0.52SS..  trans-57.3164176.8-172.30000112.8Q212 Q213S209-Q212 VanDerWaalsContact CB-OE1 3.23Å; S209-Q212 PolarHBondContact O-N 2.94Å; S209-Q213 VanDerWaalsContact O-CG 3.31Å; S209-Q213 WeakPolarHBondContact O-CG 3.23Å; S209-Q213 PolarHBondContact O-N 2.68Å; S209-Q213 PolarHBondContact O-NE2 3.27Å
210V86.8Confident71.5Confident88 Ų8896.7 Ų96.753%0.53348%0.484SS..Hα-helixtrans-60.9-46.7176.4-179.90000110.6Q212 Q213 L214V210-Q212 VanDerWaalsContact C-N 3.31Å; V210-Q212 PolarHBondContact O-N 3.43Å; V210-Q213 WeakPolarHBondContact O-CB 3.3Å; V210-Q213 PolarHBondContact O-N 2.9Å; V210-L214 HydrophobicContact CG1-CD1 4.16Å; V210-L214 HydrophobicContact CG1-CG 4.45Å; V210-L214 WeakPolarHBondContact O-CG 3.39Å; V210-L214 PolarHBondContact O-N 2.65Å
211E87.6Confident74Confident131 Ų13195 Ų9561%0.61247%0.472SS*.Hα-helixtrans-56.7-44.4176.6-50.1-43.2117.100112.3Q213 L214 Y215E211-Q213 PolarHBondContact O-N 3.47Å; E211-L214 PolarHBondContact O-N 2.91Å; E211-Y215 VanDerWaalsContact O-CB 3.3Å; E211-Y215 WeakPolarHBondContact O-CB 3.41Å; E211-Y215 PolarHBondContact O-N 3.37Å
212Q87.4Confident76.7Confident48 Ų4886.6 Ų86.622%0.22444%0.439CS..Hα-helixtrans-69.1-31.3177.9-70.4171.1-5300112.3L208 S209 V210 Y216 M247L208-Q212 HydrophobicContact CD1-CB 3.65Å; L208-Q212 HydrophobicContact CD1-CG 4.18Å; L208-Q212 HydrophobicContact CD2-CB 4.1Å; L208-Q212 HydrophobicContact CG-CB 3.48Å; L208-Q212 VanDerWaalsContact CG-CB 3.48Å; L208-Q212 HydrophobicContact CG-CG 4.46Å; S209-Q212 VanDerWaalsContact CB-OE1 3.23Å; S209-Q212 PolarHBondContact O-N 2.94Å; V210-Q212 VanDerWaalsContact C-N 3.31Å; V210-Q212 PolarHBondContact O-N 3.43Å; Q212-Y216 VanDerWaalsContact O-CB 3.24Å; Q212-Y216 WeakPolarHBondContact O-CB 3.41Å; Q212-Y216 PolarHBondContact O-N 2.95Å; Q212-M247 HydrophobicContact CB-CE 4.41Å; Q212-M247 HydrophobicContact CB-SD 4.25Å; Q212-M247 HydrophobicContact CG-CE 4.42Å; Q212-M247 VanDerWaalsContact O-SD 3.41Å
213Q88.4Confident79.1Confident77 Ų7781.4 Ų81.436%0.3641%0.405SS..Hα-helixtrans-69.6-40.5172.4-73.4169.167.400111.9H206 L208 S209 V210 E211 K217H206-Q213 PolarHBondContact ND1-NE2 3.37Å; L208-Q213 HydrophobicContact CB-CG 4.39Å; L208-Q213 HydrophobicContact CD2-CG 4.04Å; L208-Q213 HydrophobicContact CG-CG 4.41Å; L208-Q213 PolarHBondContact O-NE2 3.41Å; S209-Q213 VanDerWaalsContact O-CG 3.31Å; S209-Q213 WeakPolarHBondContact O-CG 3.23Å; S209-Q213 PolarHBondContact O-N 2.68Å; S209-Q213 PolarHBondContact O-NE2 3.27Å; V210-Q213 WeakPolarHBondContact O-CB 3.3Å; V210-Q213 PolarHBondContact O-N 2.9Å; E211-Q213 PolarHBondContact O-N 3.47Å; Q213-K217 WeakPolarHBondContact O-CB 3.34Å; Q213-K217 PolarHBondContact O-N 3.1Å
214L89.6Confident81.7Confident99 Ų9973.7 Ų73.752%0.51838%0.383SS..Hα-helixtrans-64.3-47.9174.9-69.5171.9000110.8V210 E211 K217 E218V210-L214 HydrophobicContact CG1-CD1 4.16Å; V210-L214 HydrophobicContact CG1-CG 4.45Å; V210-L214 WeakPolarHBondContact O-CG 3.39Å; V210-L214 PolarHBondContact O-N 2.65Å; E211-L214 PolarHBondContact O-N 2.91Å; L214-K217 WeakPolarHBondContact O-CB 3.47Å; L214-K217 PolarHBondContact O-N 2.93Å; L214-E218 WeakPolarHBondContact O-CB 3.37Å; L214-E218 PolarHBondContact O-N 3.31Å
215Y91.1Very high84Confident61 Ų6170 Ų7024%0.23936%0.362CS..Hα-helixtrans-58.6-46.3173.9172.8-84.9000112.4E211 K217 E218 I219 S237 D241 L244 M247E211-Y215 VanDerWaalsContact O-CB 3.3Å; E211-Y215 WeakPolarHBondContact O-CB 3.41Å; E211-Y215 PolarHBondContact O-N 3.37Å; Y215-K217 VanDerWaalsContact C-N 3.32Å; Y215-K217 PolarHBondContact O-N 3.36Å; Y215-E218 PolarHBondContact O-N 2.91Å; Y215-I219 HydrophobicContact CD1-CD1 4.4Å; Y215-I219 HydrophobicContact CE1-CD1 3.58Å; Y215-I219 HydrophobicContact CE1-CG1 4.24Å; Y215-I219 HydrophobicContact CE2-CD1 3.87Å; Y215-I219 HydrophobicContact CE2-CG1 4.4Å; Y215-I219 WeakPolarHBondContact O-CB 3.22Å; Y215-I219 PolarHBondContact O-N 3.5Å; Y215-I219 WeakPolarHBondContact OH-CD1 3.13Å; Y215-S237 PolarHBondContact OH-OG 3.37Å; Y215-D241 PolarHBondContact OH-OD2 3.13Å; Y215-L244 HydrophobicContact CE1-CD2 3.47Å; Y215-L244 VanDerWaalsContact CE1-CD2 3.47Å; Y215-L244 WeakPolarHBondContact OH-CD2 3.25Å; Y215-M247 HydrophobicContact CD1-CE 3.68Å; Y215-M247 HydrophobicContact CD1-SD 3.83Å; Y215-M247 HydrophobicContact CE1-CE 3.81Å; Y215-M247 HydrophobicContact CE1-SD 4.28Å
216Y91.6Very high86.1Confident51 Ų5169.6 Ų69.620%0.236%0.364CS..Hα-helixtrans-56.9-46.9174.7171.6-88.7000111.1Q212 I219 T220 R250 F251 F254Q212-Y216 VanDerWaalsContact O-CB 3.24Å; Q212-Y216 WeakPolarHBondContact O-CB 3.41Å; Q212-Y216 PolarHBondContact O-N 2.95Å; Y216-I219 PolarHBondContact O-N 2.91Å; Y216-T220 HydrophobicContact CD1-CG2 4.46Å; Y216-T220 HydrophobicContact CE1-CG2 3.96Å; Y216-T220 HydrophobicContact CE2-CG2 4.2Å; Y216-T220 WeakPolarHBondContact O-CG2 3.31Å; Y216-T220 PolarHBondContact O-N 3.21Å; Y216-T220 PolarHBondContact O-OG1 3.3Å; Y216-R250 HydrophobicContact CD2-CB 4.4Å; Y216-R250 HydrophobicContact CE2-CB 3.75Å; Y216-F251 AromaticContact CD2-CD1 3.8Å; Y216-F251 HydrophobicContact CD2-CD1 3.8Å; Y216-F251 AromaticContact CD2-CE1 3.38Å; Y216-F251 HydrophobicContact CD2-CE1 3.38Å; Y216-F251 HydrophobicContact CD2-CE2 4.27Å; Y216-F251 HydrophobicContact CD2-CG 4.4Å; Y216-F251 AromaticContact CD2-CZ 3.65Å; Y216-F251 HydrophobicContact CD2-CZ 3.65Å; Y216-F251 AromaticContact CE2-CD1 3.52Å; Y216-F251 HydrophobicContact CE2-CD1 3.52Å; Y216-F251 AromaticContact CE2-CE1 3.58Å; Y216-F251 HydrophobicContact CE2-CE1 3.58Å; Y216-F251 HydrophobicContact CE2-CG 4.14Å; Y216-F251 HydrophobicContact CE2-CZ 4.25Å; Y216-F251 HydrophobicContact CG-CE1 4.35Å; Y216-F254 WeakPolarHBondContact OH-CB 3.21Å
217K91.6Very high87.8Confident110 Ų11069.3 Ų69.348%0.47837%0.37SS..Hα-helixtrans-59.9-54.1177.6-178.4-171.5168.6-1710110.7Q213 L214 Y215 I219 T220 E221Q213-K217 WeakPolarHBondContact O-CB 3.34Å; Q213-K217 PolarHBondContact O-N 3.1Å; L214-K217 WeakPolarHBondContact O-CB 3.47Å; L214-K217 PolarHBondContact O-N 2.93Å; Y215-K217 VanDerWaalsContact C-N 3.32Å; Y215-K217 PolarHBondContact O-N 3.36Å; K217-I219 VanDerWaalsContact C-N 3.3Å; K217-I219 PolarHBondContact O-N 2.7Å; K217-T220 PolarHBondContact O-N 3.33Å; K217-T220 VanDerWaalsContact O-N 3.07Å; K217-T220 PolarHBondContact O-OG1 3Å; K217-E221 WeakPolarHBondContact CE-OE1 3.39Å; K217-E221 WeakPolarHBondContact CE-OE2 3.43Å; K217-E221 HydrophobicContact CG-CG 4.43Å; K217-E221 IonicContact NZ-OE1 3.96Å; K217-E221 PolarHBondContact O-N 2.88Å
218E92.6Very high88.9Confident124 Ų12467.3 Ų67.358%0.57936%0.361SS*.Hα-helixtrans-57.6-41.2-178.8-179.3160.2-146.600111.9L214 Y215 E221 A222L214-E218 WeakPolarHBondContact O-CB 3.37Å; L214-E218 PolarHBondContact O-N 3.31Å; Y215-E218 PolarHBondContact O-N 2.91Å; E218-E221 PolarHBondContact O-N 3.38Å; E218-A222 WeakPolarHBondContact O-CB 3.43Å; E218-A222 PolarHBondContact O-N 3.26Å
219I92.9Very high89.6Confident8 Ų871 Ų714%0.04139%0.393CS..Hα-helixtrans-65.4-43.5173.9-75.2-157.1000112.4Y215 Y216 K217 E221 A222 C223 A234 I238 F251 M277Y215-I219 HydrophobicContact CD1-CD1 4.4Å; Y215-I219 HydrophobicContact CE1-CD1 3.58Å; Y215-I219 HydrophobicContact CE1-CG1 4.24Å; Y215-I219 HydrophobicContact CE2-CD1 3.87Å; Y215-I219 HydrophobicContact CE2-CG1 4.4Å; Y215-I219 WeakPolarHBondContact O-CB 3.22Å; Y215-I219 PolarHBondContact O-N 3.5Å; Y215-I219 WeakPolarHBondContact OH-CD1 3.13Å; Y216-I219 PolarHBondContact O-N 2.91Å; K217-I219 VanDerWaalsContact C-N 3.3Å; K217-I219 PolarHBondContact O-N 2.7Å; I219-E221 VanDerWaalsContact C-N 3.33Å; I219-E221 PolarHBondContact O-N 2.77Å; I219-A222 PolarHBondContact O-N 3.15Å; I219-C223 VanDerWaalsContact O-CB 3.32Å; I219-C223 WeakPolarHBondContact O-CB 3.28Å; I219-C223 PolarHBondContact O-N 3.02Å; I219-C223 PolarHBondContact O-SG 3.41Å; I219-A234 HydrophobicContact CG1-CB 4.42Å; I219-I238 HydrophobicContact CD1-CG1 4.04Å; I219-I238 HydrophobicContact CG2-CD1 3.74Å; I219-I238 HydrophobicContact CG2-CG1 4.13Å; I219-F251 HydrophobicContact CG2-CE1 3.91Å; I219-F251 HydrophobicContact CG2-CZ 4.11Å; I219-M277 HydrophobicContact CG2-CE 4.07Å
220T90.9Very high89.8Confident18 Ų1873.4 Ų73.411%0.1139%0.394CS..Hα-helixtrans-64.1-38.3176.856.10000112.1Y216 K217 V224 F251 F254Y216-T220 HydrophobicContact CD1-CG2 4.46Å; Y216-T220 HydrophobicContact CE1-CG2 3.96Å; Y216-T220 HydrophobicContact CE2-CG2 4.2Å; Y216-T220 WeakPolarHBondContact O-CG2 3.31Å; Y216-T220 PolarHBondContact O-N 3.21Å; Y216-T220 PolarHBondContact O-OG1 3.3Å; K217-T220 PolarHBondContact O-N 3.33Å; K217-T220 VanDerWaalsContact O-N 3.07Å; K217-T220 PolarHBondContact O-OG1 3Å; T220-V224 WeakPolarHBondContact O-CB 3.08Å; T220-V224 WeakPolarHBondContact O-CG2 3.48Å; T220-V224 PolarHBondContact O-N 3.15Å; T220-F251 HydrophobicContact CG2-CE1 4.36Å; T220-F254 HydrophobicContact CG2-CD1 4.02Å; T220-F254 HydrophobicContact CG2-CD2 4.26Å; T220-F254 HydrophobicContact CG2-CE1 3.82Å; T220-F254 HydrophobicContact CG2-CE2 4.07Å; T220-F254 HydrophobicContact CG2-CG 4.24Å; T220-F254 HydrophobicContact CG2-CZ 3.85Å
221E91.1Very high90.2Very high111 Ų11169.5 Ų69.552%0.51937%0.37SS..Hα-helixtrans-70.3-38.4175.7-70.5-178.816800112K217 E218 I219 G225K217-E221 WeakPolarHBondContact CE-OE1 3.39Å; K217-E221 WeakPolarHBondContact CE-OE2 3.43Å; K217-E221 HydrophobicContact CG-CG 4.43Å; K217-E221 IonicContact NZ-OE1 3.96Å; K217-E221 PolarHBondContact O-N 2.88Å; E218-E221 PolarHBondContact O-N 3.38Å; I219-E221 VanDerWaalsContact C-N 3.33Å; I219-E221 PolarHBondContact O-N 2.77Å; E221-G225 WeakPolarHBondContact O-CA 3.27Å; E221-G225 PolarHBondContact O-N 2.63Å
222A92.2Very high90.4Very high16 Ų1666 Ų6613%0.13236%0.363CS..Hα-helixtrans-71.3-33.9176.200000113.2E218 I219 K230 A234E218-A222 WeakPolarHBondContact O-CB 3.43Å; E218-A222 PolarHBondContact O-N 3.26Å; I219-A222 PolarHBondContact O-N 3.15Å; A222-K230 HydrophobicContact CB-CB 4.36Å; A222-A234 HydrophobicContact CB-CB 3.77Å
223C87.9Confident90.6Very high4 Ų470.1 Ų70.13%0.02738%0.383CS..Hα-helixtrans-68.5-40.1175.3-71.80000112.3I219 Y273 M277I219-C223 VanDerWaalsContact O-CB 3.32Å; I219-C223 WeakPolarHBondContact O-CB 3.28Å; I219-C223 PolarHBondContact O-N 3.02Å; I219-C223 PolarHBondContact O-SG 3.41Å; C223-Y273 WeakPolarHBondContact O-CD2 3.43Å; C223-M277 HydrophobicContact CB-SD 4.49Å
224V85.8Confident90.9Very high68 Ų6866.8 Ų66.841%0.41237%0.369SS..Hα-helixtrans-85.8-26.2-179173.10000112.4T220 F254 L270T220-V224 WeakPolarHBondContact O-CB 3.08Å; T220-V224 WeakPolarHBondContact O-CG2 3.48Å; T220-V224 PolarHBondContact O-N 3.15Å; V224-F254 HydrophobicContact CG2-CZ 4.14Å; V224-L270 HydrophobicContact CG1-CD2 3.92Å
225G87.4Confident91Very high28 Ų2863.3 Ų63.329%0.28935%0.35SS..SBendtrans-63162-176.100000114.6E221 R231E221-G225 WeakPolarHBondContact O-CA 3.27Å; E221-G225 PolarHBondContact O-N 2.63Å; G225-R231 PolarHBondContact O-NH2 2.92Å
226S86.6Confident91.1Very high110 Ų11066.3 Ų66.377%0.76937%0.366SS*.SBendtrans-71.3-37.8-17650.20000113.8E228 R231S226-E228 PolarHBondContact O-N 2.89Å; S226-R231 PolarHBondContact O-NH2 3.28Å
227C91.3Very high91.2Very high76 Ų7665.1 Ų65.151%0.51437%0.366SS..  trans-67.2108.5-174-60.50000113A229 K230 R231C227-A229 VanDerWaalsContact C-N 3.31Å; C227-A229 PolarHBondContact O-N 3Å; C227-K230 HydrophobicContact CB-CB 4.36Å; C227-K230 HydrophobicContact CB-CG 4.4Å; C227-K230 PolarHBondContact O-N 3.23Å; C227-R231 PolarHBondContact O-N 2.83Å; C227-R231 VanDerWaalsContact O-N 3.16Å
228E90Very high91.2Very high115 Ų11559.9 Ų59.954%0.53734%0.343SS..Hα-helixtrans-64-31.4-177.8-176.1154.6-138.200113.9S226 R231 A232 R276S226-E228 PolarHBondContact O-N 2.89Å; E228-R231 WeakPolarHBondContact O-CB 3.28Å; E228-R231 PolarHBondContact O-N 2.74Å; E228-R231 IonicContact OE1-NH1 3.52Å; E228-A232 WeakPolarHBondContact O-CB 3.3Å; E228-A232 PolarHBondContact O-N 3.03Å; E228-R276 IonicContact OE1-NH1 2.66Å; E228-R276 PolarHBondContact OE1-NH1 3Å
229A92Very high91.2Very high83 Ų8355 Ų5569%0.68632%0.324SS*.Hα-helixtrans-59.6-49.9175.600000112.3C227 R231 A232 E233C227-A229 VanDerWaalsContact C-N 3.31Å; C227-A229 PolarHBondContact O-N 3Å; A229-R231 VanDerWaalsContact C-N 3.29Å; A229-R231 PolarHBondContact O-N 2.79Å; A229-A232 PolarHBondContact O-N 3.12Å; A229-E233 PolarHBondContact O-N 2.96Å
230K91.9Very high91.1Very high115 Ų11558.5 Ų58.550%0.535%0.346SS..Hα-helixtrans-62.4-35.8175.1-70.6-160.7167.7-149.20112.3A222 C227 A234A222-K230 HydrophobicContact CB-CB 4.36Å; C227-K230 HydrophobicContact CB-CB 4.36Å; C227-K230 HydrophobicContact CB-CG 4.4Å; C227-K230 PolarHBondContact O-N 3.23Å; K230-A234 WeakPolarHBondContact O-CB 3.49Å; K230-A234 PolarHBondContact O-N 3.09Å
231R93.3Very high91Very high6 Ų660.3 Ų60.32%0.02336%0.355CS..Hα-helixtrans-66-40.9175.9-161-173-54.5111.16.8111.8G225 S226 C227 E228 A229 L235 Y273G225-R231 PolarHBondContact O-NH2 2.92Å; S226-R231 PolarHBondContact O-NH2 3.28Å; C227-R231 PolarHBondContact O-N 2.83Å; C227-R231 VanDerWaalsContact O-N 3.16Å; E228-R231 WeakPolarHBondContact O-CB 3.28Å; E228-R231 PolarHBondContact O-N 2.74Å; E228-R231 IonicContact OE1-NH1 3.52Å; A229-R231 VanDerWaalsContact C-N 3.29Å; A229-R231 PolarHBondContact O-N 2.79Å; R231-L235 HydrophobicContact CG-CD1 4.27Å; R231-L235 WeakPolarHBondContact O-CB 3.28Å; R231-L235 WeakPolarHBondContact O-CD1 3.37Å; R231-L235 WeakPolarHBondContact O-CG 3.45Å; R231-L235 PolarHBondContact O-N 2.66Å; R231-Y273 PolarHBondContact NH2-OH 2.96Å
232A92.5Very high90.7Very high57 Ų5759.3 Ų59.347%0.47136%0.358SS..Hα-helixtrans-67.5-42.6177.300000111.7E228 A229 L235 Q236E228-A232 WeakPolarHBondContact O-CB 3.3Å; E228-A232 PolarHBondContact O-N 3.03Å; A229-A232 PolarHBondContact O-N 3.12Å; A232-L235 PolarHBondContact O-N 3.43Å; A232-Q236 WeakPolarHBondContact O-CB 3.2Å; A232-Q236 PolarHBondContact O-N 2.98Å
233E92.8Very high90.2Very high136 Ų13661 Ų6164%0.63638%0.377SS*.Hα-helixtrans-57.4-54.3172.4177.5-179.2-152.500111.8A229 L235 Q236 S237A229-E233 PolarHBondContact O-N 2.96Å; E233-L235 VanDerWaalsContact C-N 3.31Å; E233-L235 PolarHBondContact O-N 3.47Å; E233-Q236 PolarHBondContact O-N 3.45Å; E233-Q236 VanDerWaalsContact O-N 3.1Å; E233-S237 WeakPolarHBondContact O-CB 3.41Å; E233-S237 PolarHBondContact O-N 2.71Å
234A94Very high90.1Very high7 Ų761 Ų616%0.05838%0.377CS..Hα-helixtrans-60.6-38.5179.600000112.6I219 A222 K230 I238I219-A234 HydrophobicContact CG1-CB 4.42Å; A222-A234 HydrophobicContact CB-CB 3.77Å; K230-A234 WeakPolarHBondContact O-CB 3.49Å; K230-A234 PolarHBondContact O-N 3.09Å; A234-I238 WeakPolarHBondContact O-CD1 3.48Å; A234-I238 VanDerWaalsContact O-CG1 3.23Å; A234-I238 WeakPolarHBondContact O-CG1 3.37Å; A234-I238 PolarHBondContact O-N 3.36Å
235L92.6Very high90.1Very high25 Ų2561.4 Ų61.413%0.13137%0.371CS..Hα-helixtrans-67.7-37.3174.7-71.4170.5000112.5R231 A232 E233 A239 R276 M277 A280R231-L235 HydrophobicContact CG-CD1 4.27Å; R231-L235 WeakPolarHBondContact O-CB 3.28Å; R231-L235 WeakPolarHBondContact O-CD1 3.37Å; R231-L235 WeakPolarHBondContact O-CG 3.45Å; R231-L235 PolarHBondContact O-N 2.66Å; A232-L235 PolarHBondContact O-N 3.43Å; E233-L235 VanDerWaalsContact C-N 3.31Å; E233-L235 PolarHBondContact O-N 3.47Å; L235-A239 WeakPolarHBondContact O-CB 3.48Å; L235-A239 PolarHBondContact O-N 2.95Å; L235-A239 VanDerWaalsContact O-N 3.1Å; L235-R276 HydrophobicContact CD1-CB 3.91Å; L235-R276 HydrophobicContact CD2-CB 4.27Å; L235-M277 HydrophobicContact CD2-CB 4.16Å; L235-A280 HydrophobicContact CB-CB 4.5Å; L235-A280 HydrophobicContact CD2-CB 4.05Å; L235-A280 WeakPolarHBondContact O-CB 3.4Å
236Q93Very high89.9Confident124 Ų12465.6 Ų65.658%0.57938%0.383SS*.Hα-helixtrans-69.3-40175.6-174.360.653.700111.6A232 E233 A239 T240A232-Q236 WeakPolarHBondContact O-CB 3.2Å; A232-Q236 PolarHBondContact O-N 2.98Å; E233-Q236 PolarHBondContact O-N 3.45Å; E233-Q236 VanDerWaalsContact O-N 3.1Å; Q236-A239 PolarHBondContact O-N 2.94Å; Q236-T240 PolarHBondContact NE2-OG1 2.87Å; Q236-T240 WeakPolarHBondContact O-CB 3.39Å; Q236-T240 PolarHBondContact O-N 3.16Å; Q236-T240 VanDerWaalsContact O-N 3.08Å; Q236-T240 PolarHBondContact O-OG1 2.65Å
237S92.4Very high90Very high27 Ų2760.6 Ų60.619%0.18935%0.348CS..Hα-helixtrans-56.6-54.4172.2168.60000110.7Y215 E233 A239 T240 D241Y215-S237 PolarHBondContact OH-OG 3.37Å; E233-S237 WeakPolarHBondContact O-CB 3.41Å; E233-S237 PolarHBondContact O-N 2.71Å; S237-A239 PolarHBondContact O-N 2.99Å; S237-A239 VanDerWaalsContact O-N 3.16Å; S237-T240 PolarHBondContact O-N 3.19Å; S237-D241 WeakPolarHBondContact CA-OD2 3.5Å; S237-D241 WeakPolarHBondContact CB-OD2 3.47Å; S237-D241 WeakPolarHBondContact O-CB 3.47Å; S237-D241 PolarHBondContact O-N 2.75Å; S237-D241 VanDerWaalsContact O-OD2 3.08Å; S237-D241 PolarHBondContact OG-OD2 3.28Å
238I92.1Very high89.8Confident0 Ų057 Ų570%032%0.324CS..Hα-helixtrans-52.2-41.8174.7-68.6165.4000112.7I219 A234 T240 M277 A280 L281 N284I219-I238 HydrophobicContact CD1-CG1 4.04Å; I219-I238 HydrophobicContact CG2-CD1 3.74Å; I219-I238 HydrophobicContact CG2-CG1 4.13Å; A234-I238 WeakPolarHBondContact O-CD1 3.48Å; A234-I238 VanDerWaalsContact O-CG1 3.23Å; A234-I238 WeakPolarHBondContact O-CG1 3.37Å; A234-I238 PolarHBondContact O-N 3.36Å; I238-T240 VanDerWaalsContact C-N 3.31Å; I238-T240 PolarHBondContact O-N 3.49Å; I238-M277 HydrophobicContact CD1-CE 3.79Å; I238-M277 HydrophobicContact CD1-CG 3.81Å; I238-A280 HydrophobicContact CB-CB 4.02Å; I238-A280 HydrophobicContact CG2-CB 3.66Å; I238-L281 HydrophobicContact CG2-CB 4.43Å; I238-L281 HydrophobicContact CG2-CD2 3.56Å; I238-L281 HydrophobicContact CG2-CG 3.66Å; I238-N284 PolarHBondContact O-ND2 3.24Å
239A91.7Very high89.7Confident22 Ų2253.7 Ų53.718%0.18231%0.312CS..Hα-helixtrans-73-19.7-178.800000114.2L235 Q236 S237 A280 N284L235-A239 WeakPolarHBondContact O-CB 3.48Å; L235-A239 PolarHBondContact O-N 2.95Å; L235-A239 VanDerWaalsContact O-N 3.1Å; Q236-A239 PolarHBondContact O-N 2.94Å; S237-A239 PolarHBondContact O-N 2.99Å; S237-A239 VanDerWaalsContact O-N 3.16Å; A239-A280 WeakPolarHBondContact CA-O 3.09Å; A239-A280 HydrophobicContact CB-CB 4.24Å; A239-N284 WeakPolarHBondContact O-CA 3.23Å; A239-N284 WeakPolarHBondContact O-CB 3.34Å
240T90.9Very high89.6Confident81 Ų8153.2 Ų53.250%0.49729%0.292SS..Hα-helixtrans-111.9-33.6-171.1-43.50000113.1Q236 S237 I238Q236-T240 PolarHBondContact NE2-OG1 2.87Å; Q236-T240 WeakPolarHBondContact O-CB 3.39Å; Q236-T240 PolarHBondContact O-N 3.16Å; Q236-T240 VanDerWaalsContact O-N 3.08Å; Q236-T240 PolarHBondContact O-OG1 2.65Å; S237-T240 PolarHBondContact O-N 3.19Å; I238-T240 VanDerWaalsContact C-N 3.31Å; I238-T240 PolarHBondContact O-N 3.49Å
241D89.8Confident89.5Confident56 Ų5647.7 Ų47.730%0.29927%0.268SS..  trans-77.3126.1-166.3-72.8-44.6000112.8Y215 S237 L244 N284Y215-D241 PolarHBondContact OH-OD2 3.13Å; S237-D241 WeakPolarHBondContact CA-OD2 3.5Å; S237-D241 WeakPolarHBondContact CB-OD2 3.47Å; S237-D241 WeakPolarHBondContact O-CB 3.47Å; S237-D241 PolarHBondContact O-N 2.75Å; S237-D241 VanDerWaalsContact O-OD2 3.08Å; S237-D241 PolarHBondContact OG-OD2 3.28Å; D241-L244 HydrophobicContact CB-CD1 3.97Å; D241-L244 HydrophobicContact CB-CD2 4.02Å; D241-L244 HydrophobicContact CB-CG 3.8Å; D241-N284 PolarHBondContact O-ND2 3.36Å
242P84.2Confident89.4Confident90 Ų9047.4 Ų47.458%0.58427%0.267SS*.G310 helixtrans-82.2-17.5-179.432.1-35.5000113.7L244 T286P242-L244 PolarHBondContact O-N 2.87Å; P242-T286 WeakPolarHBondContact CA-OG1 3.33Å; P242-T286 HydrophobicContact CB-CG2 4.24Å
243G83Confident89.3Confident51 Ų5148.2 Ų48.253%0.52627%0.266SS..G310 helixtrans-74.3-3.9-176.300000115.2Y245G243-Y245 VanDerWaalsContact C-N 3.31Å; G243-Y245 PolarHBondContact O-N 3.2Å
244L85.6Confident89.3Confident5 Ų544.5 Ų44.53%0.02625%0.248CC..G310 helixtrans-80.7-6.4-164.8-52-169.2000115Y215 D241 P242 Q246 M247 L248 L287Y215-L244 HydrophobicContact CE1-CD2 3.47Å; Y215-L244 VanDerWaalsContact CE1-CD2 3.47Å; Y215-L244 WeakPolarHBondContact OH-CD2 3.25Å; D241-L244 HydrophobicContact CB-CD1 3.97Å; D241-L244 HydrophobicContact CB-CD2 4.02Å; D241-L244 HydrophobicContact CB-CG 3.8Å; P242-L244 PolarHBondContact O-N 2.87Å; L244-Q246 VanDerWaalsContact C-N 3.3Å; L244-Q246 PolarHBondContact O-N 3.44Å; L244-M247 HydrophobicContact CD2-CE 3.57Å; L244-M247 CarbonylContact O-C 3.56Å; L244-M247 WeakPolarHBondContact O-CA 3.45Å; L244-M247 PolarHBondContact O-N 3.34Å; L244-L248 PolarHBondContact O-N 2.92Å; L244-L287 HydrophobicContact CB-CD1 4.33Å; L244-L287 HydrophobicContact CB-CD2 4.12Å
245Y84.4Confident89.2Confident76 Ų7644.1 Ų44.130%0.29825%0.245SC..G310 helixtrans-55.9-39-174.1-172.4-117.4000113.9E139 G243 M247 L248 Y288E139-Y245 HydrophobicContact CG-CE1 4.04Å; E139-Y245 WeakPolarHBondContact CG-OH 3.39Å; E139-Y245 PolarHBondContact OE1-OH 3.21Å; G243-Y245 VanDerWaalsContact C-N 3.31Å; G243-Y245 PolarHBondContact O-N 3.2Å; Y245-M247 VanDerWaalsContact C-N 3.26Å; Y245-M247 PolarHBondContact O-N 3.2Å; Y245-L248 HydrophobicContact CD2-CD2 4.28Å; Y245-L248 WeakPolarHBondContact O-CB 3.37Å; Y245-L248 PolarHBondContact O-N 3.21Å; Y245-Y288 HydrophobicContact CE2-CD2 4.33Å
246Q84.6Confident89.1Confident115 Ų11543.9 Ų43.954%0.53725%0.246SC..G310 helixtrans-69.9-20176.2-68.2175.9-13.500113.8L208 L244L208-Q246 HydrophobicContact CD1-CB 4.04Å; L244-Q246 VanDerWaalsContact C-N 3.3Å; L244-Q246 PolarHBondContact O-N 3.44Å
247M87.4Confident89.1Confident6 Ų641.8 Ų41.83%0.0324%0.236CC..THydrogen-bonded Turntrans-95.5-17.4177.2-65.4-178.2-89.200112.8L208 Q212 Y215 L244 Y245 R250 F251L208-M247 HydrophobicContact CD1-CG 3.35Å; L208-M247 HydrophobicContact CD1-SD 4.2Å; L208-M247 HydrophobicContact CD2-CG 3.72Å; L208-M247 HydrophobicContact CD2-SD 4.14Å; L208-M247 HydrophobicContact CG-CG 4.15Å; Q212-M247 HydrophobicContact CB-CE 4.41Å; Q212-M247 HydrophobicContact CB-SD 4.25Å; Q212-M247 HydrophobicContact CG-CE 4.42Å; Q212-M247 VanDerWaalsContact O-SD 3.41Å; Y215-M247 HydrophobicContact CD1-CE 3.68Å; Y215-M247 HydrophobicContact CD1-SD 3.83Å; Y215-M247 HydrophobicContact CE1-CE 3.81Å; Y215-M247 HydrophobicContact CE1-SD 4.28Å; L244-M247 HydrophobicContact CD2-CE 3.57Å; L244-M247 CarbonylContact O-C 3.56Å; L244-M247 WeakPolarHBondContact O-CA 3.45Å; L244-M247 PolarHBondContact O-N 3.34Å; Y245-M247 VanDerWaalsContact C-N 3.26Å; Y245-M247 PolarHBondContact O-N 3.2Å; M247-R250 WeakPolarHBondContact O-CA 3.26Å; M247-R250 WeakPolarHBondContact O-CB 3.4Å; M247-R250 PolarHBondContact O-N 2.66Å; M247-F251 HydrophobicContact CB-CD2 3.77Å; M247-F251 HydrophobicContact CB-CE2 3.49Å; M247-F251 VanDerWaalsContact CB-CE2 3.49Å; M247-F251 HydrophobicContact CB-CZ 4.35Å; M247-F251 HydrophobicContact CG-CE2 4.5Å; M247-F251 WeakPolarHBondContact O-CD2 3.32Å; M247-F251 PolarHBondContact O-N 2.76Å; M247-F251 HydrophobicContact SD-CE2 4.41Å
248L87.7Confident88.9Confident1 Ų141.1 Ų41.11%0.00523%0.234CC..Hα-helixtrans-51.7-39.9-177.8-172.660.4000114.7L244 Y245 R250 S252 L281 L287 L289 Y292L244-L248 PolarHBondContact O-N 2.92Å; Y245-L248 HydrophobicContact CD2-CD2 4.28Å; Y245-L248 WeakPolarHBondContact O-CB 3.37Å; Y245-L248 PolarHBondContact O-N 3.21Å; L248-R250 VanDerWaalsContact C-N 3.32Å; L248-R250 PolarHBondContact O-N 3.5Å; L248-S252 VanDerWaalsContact O-CB 3.27Å; L248-S252 WeakPolarHBondContact O-CB 3.41Å; L248-S252 PolarHBondContact O-N 2.86Å; L248-L281 HydrophobicContact CD1-CD2 3.93Å; L248-L287 HydrophobicContact CD2-CB 4.44Å; L248-L289 HydrophobicContact CD1-CD1 4.15Å; L248-L289 HydrophobicContact CD2-CD1 4Å; L248-L289 HydrophobicContact CD2-CG 4.48Å; L248-Y292 HydrophobicContact CD2-CD2 3.61Å; L248-Y292 HydrophobicContact CD2-CE2 3.86Å; L248-Y292 HydrophobicContact CG-CD2 3.86Å; L248-Y292 HydrophobicContact CG-CE2 4.16Å; L248-Y292 HydrophobicContact CG-CG 4.4Å
249P87.9Confident88.9Confident45 Ų4541.2 Ų41.229%0.29223%0.234SC..Hα-helixtrans-61.3-41.1173.9-18.529000112.3S252 T253 Y292P249-S252 WeakPolarHBondContact O-CB 3.21Å; P249-S252 PolarHBondContact O-N 3.21Å; P249-T253 PolarHBondContact O-N 2.94Å; P249-T253 PolarHBondContact O-OG1 3.06Å; P249-Y292 HydrophobicContact CB-CE1 3.92Å; P249-Y292 HydrophobicContact CG-CE1 3.82Å
250R89.5Confident88.8Confident72 Ų7247.9 Ų47.927%0.27225%0.254SS..Hα-helixtrans-72.4-40.9-175.6-60.6165.5-167.4-98-2.6110.2H206 E207 Y216 M247 L248 F254H206-R250 PolarHBondContact CE1-NH1 3.28Å; H206-R250 PolarHBondContact NE2-NH1 3.47Å; E207-R250 IonicContact OE2-NH2 3.22Å; E207-R250 PolarHBondContact OE2-NH2 2.91Å; Y216-R250 HydrophobicContact CD2-CB 4.4Å; Y216-R250 HydrophobicContact CE2-CB 3.75Å; M247-R250 WeakPolarHBondContact O-CA 3.26Å; M247-R250 WeakPolarHBondContact O-CB 3.4Å; M247-R250 PolarHBondContact O-N 2.66Å; L248-R250 VanDerWaalsContact C-N 3.32Å; L248-R250 PolarHBondContact O-N 3.5Å; R250-F254 WeakPolarHBondContact O-CB 3.42Å; R250-F254 PolarHBondContact O-N 2.85Å
251F90.8Very high88.8Confident0 Ų046.7 Ų46.70%025%0.247CC..Hα-helixtrans-63-40.9169.8-69.6-52.5000112.4Y216 I219 T220 M247 F254 I255 M277 L281Y216-F251 AromaticContact CD2-CD1 3.8Å; Y216-F251 HydrophobicContact CD2-CD1 3.8Å; Y216-F251 AromaticContact CD2-CE1 3.38Å; Y216-F251 HydrophobicContact CD2-CE1 3.38Å; Y216-F251 HydrophobicContact CD2-CE2 4.27Å; Y216-F251 HydrophobicContact CD2-CG 4.4Å; Y216-F251 AromaticContact CD2-CZ 3.65Å; Y216-F251 HydrophobicContact CD2-CZ 3.65Å; Y216-F251 AromaticContact CE2-CD1 3.52Å; Y216-F251 HydrophobicContact CE2-CD1 3.52Å; Y216-F251 AromaticContact CE2-CE1 3.58Å; Y216-F251 HydrophobicContact CE2-CE1 3.58Å; Y216-F251 HydrophobicContact CE2-CG 4.14Å; Y216-F251 HydrophobicContact CE2-CZ 4.25Å; Y216-F251 HydrophobicContact CG-CE1 4.35Å; I219-F251 HydrophobicContact CG2-CE1 3.91Å; I219-F251 HydrophobicContact CG2-CZ 4.11Å; T220-F251 HydrophobicContact CG2-CE1 4.36Å; M247-F251 HydrophobicContact CB-CD2 3.77Å; M247-F251 HydrophobicContact CB-CE2 3.49Å; M247-F251 VanDerWaalsContact CB-CE2 3.49Å; M247-F251 HydrophobicContact CB-CZ 4.35Å; M247-F251 HydrophobicContact CG-CE2 4.5Å; M247-F251 WeakPolarHBondContact O-CD2 3.32Å; M247-F251 PolarHBondContact O-N 2.76Å; M247-F251 HydrophobicContact SD-CE2 4.41Å; F251-F254 PolarHBondContact O-N 3.34Å; F251-I255 WeakPolarHBondContact O-CB 3.46Å; F251-I255 WeakPolarHBondContact O-CD1 3.45Å; F251-I255 VanDerWaalsContact O-CG1 3.23Å; F251-I255 WeakPolarHBondContact O-CG1 3.33Å; F251-I255 PolarHBondContact O-N 2.95Å; F251-M277 HydrophobicContact CD1-CE 3.48Å; F251-M277 VanDerWaalsContact CD1-CE 3.48Å; F251-M277 HydrophobicContact CE1-CE 3.78Å; F251-M277 HydrophobicContact CG-CE 4.31Å; F251-L281 HydrophobicContact CB-CD1 4.4Å
252S90.7Very high88.6Confident0 Ų044.8 Ų44.80%024%0.237CC..Hα-helixtrans-60.7-49.3178.3-173.20000112.3L248 P249 I255 S256 E295L248-S252 VanDerWaalsContact O-CB 3.27Å; L248-S252 WeakPolarHBondContact O-CB 3.41Å; L248-S252 PolarHBondContact O-N 2.86Å; P249-S252 WeakPolarHBondContact O-CB 3.21Å; P249-S252 PolarHBondContact O-N 3.21Å; S252-I255 PolarHBondContact O-N 3.31Å; S252-S256 WeakPolarHBondContact O-CB 3.5Å; S252-S256 PolarHBondContact O-N 3.26Å; S252-S256 PolarHBondContact O-OG 3.2Å; S252-E295 VanDerWaalsContact CB-OE2 3.26Å; S252-E295 WeakPolarHBondContact CB-OE2 3.4Å; S252-E295 PolarHBondContact OG-OE2 2.86Å
253T90.8Very high88.8Confident74 Ų7441.9 Ų41.945%0.45422%0.217SC..Hα-helixtrans-70-38.2176.5-55.70000112.4P249 I255 S256 E257 E295P249-T253 PolarHBondContact O-N 2.94Å; P249-T253 PolarHBondContact O-OG1 3.06Å; T253-I255 PolarHBondContact O-N 3.28Å; T253-S256 PolarHBondContact O-N 2.98Å; T253-E257 VanDerWaalsContact O-CB 3.26Å; T253-E257 WeakPolarHBondContact O-CB 3.32Å; T253-E257 PolarHBondContact O-N 3.3Å; T253-E295 WeakPolarHBondContact CA-OE1 3.45Å; T253-E295 WeakPolarHBondContact CB-OE1 3.06Å; T253-E295 PolarHBondContact OG1-OE1 3.46Å
254F92Very high88.9Confident57 Ų5745 Ų4525%0.2523%0.226CC..Hα-helixtrans-59.4-44.6174.1170.4-101000112.3Y216 T220 V224 R250 F251 G258 L274 M277Y216-F254 WeakPolarHBondContact OH-CB 3.21Å; T220-F254 HydrophobicContact CG2-CD1 4.02Å; T220-F254 HydrophobicContact CG2-CD2 4.26Å; T220-F254 HydrophobicContact CG2-CE1 3.82Å; T220-F254 HydrophobicContact CG2-CE2 4.07Å; T220-F254 HydrophobicContact CG2-CG 4.24Å; T220-F254 HydrophobicContact CG2-CZ 3.85Å; V224-F254 HydrophobicContact CG2-CZ 4.14Å; R250-F254 WeakPolarHBondContact O-CB 3.42Å; R250-F254 PolarHBondContact O-N 2.85Å; F251-F254 PolarHBondContact O-N 3.34Å; F254-G258 WeakPolarHBondContact O-CA 3.39Å; F254-G258 PolarHBondContact O-N 3.07Å; F254-L274 HydrophobicContact CE1-CD2 3.99Å; F254-M277 HydrophobicContact CD1-SD 4.33Å; F254-M277 HydrophobicContact CE1-SD 4.17Å
255I92.6Very high88.8Confident0 Ų050.5 Ų50.50%025%0.252CS..Hα-helixtrans-64.8-46.7175.9-72.4166.4000110.5F251 S252 T253 G258 V259 L274 M277 V278 L281 L296F251-I255 WeakPolarHBondContact O-CB 3.46Å; F251-I255 WeakPolarHBondContact O-CD1 3.45Å; F251-I255 VanDerWaalsContact O-CG1 3.23Å; F251-I255 WeakPolarHBondContact O-CG1 3.33Å; F251-I255 PolarHBondContact O-N 2.95Å; S252-I255 PolarHBondContact O-N 3.31Å; T253-I255 PolarHBondContact O-N 3.28Å; I255-G258 PolarHBondContact O-N 3.33Å; I255-V259 WeakPolarHBondContact O-CB 3.5Å; I255-V259 WeakPolarHBondContact O-CG2 3.4Å; I255-V259 PolarHBondContact O-N 2.81Å; I255-L274 HydrophobicContact CG1-CD2 4.31Å; I255-M277 HydrophobicContact CD1-CB 4.34Å; I255-M277 HydrophobicContact CD1-CG 4.05Å; I255-M277 HydrophobicContact CD1-SD 3.9Å; I255-M277 HydrophobicContact CG1-SD 3.83Å; I255-V278 HydrophobicContact CD1-CG2 3.97Å; I255-V278 HydrophobicContact CG2-CG2 3.48Å; I255-V278 VanDerWaalsContact CG2-CG2 3.48Å; I255-L281 HydrophobicContact CD1-CD1 3.48Å; I255-L281 VanDerWaalsContact CD1-CD1 3.48Å; I255-L296 HydrophobicContact CB-CD2 4.35Å; I255-L296 HydrophobicContact CD1-CD2 4.5Å; I255-L296 HydrophobicContact CG2-CD2 4.07Å
256S90.9Very high88.8Confident20 Ų2048.6 Ų48.614%0.1425%0.246CC..Hα-helixtrans-69-41.8-173.8-57.40000112.1S252 T253 R260S252-S256 WeakPolarHBondContact O-CB 3.5Å; S252-S256 PolarHBondContact O-N 3.26Å; S252-S256 PolarHBondContact O-OG 3.2Å; T253-S256 PolarHBondContact O-N 2.98Å; S256-R260 WeakPolarHBondContact O-CB 3.22Å; S256-R260 PolarHBondContact O-N 2.58Å; S256-R260 VanDerWaalsContact O-N 3.09Å
257E91.3Very high88.8Confident79 Ų7946 Ų4637%0.36924%0.236SC..Hα-helixtrans-70.8-40.9172.7-171.860-161.900111.7T253 V259 R260 V261T253-E257 VanDerWaalsContact O-CB 3.26Å; T253-E257 WeakPolarHBondContact O-CB 3.32Å; T253-E257 PolarHBondContact O-N 3.3Å; E257-V259 VanDerWaalsContact C-N 3.33Å; E257-V259 PolarHBondContact O-N 2.83Å; E257-R260 WeakPolarHBondContact O-CB 3.38Å; E257-R260 PolarHBondContact O-N 2.68Å; E257-R260 VanDerWaalsContact O-N 3.1Å; E257-R260 IonicContact OE1-CZ 2.69Å; E257-R260 VanDerWaalsContact OE1-CZ 3.27Å; E257-R260 IonicContact OE1-NE 2.73Å; E257-R260 PolarHBondContact OE1-NE 2.68Å; E257-R260 IonicContact OE1-NH2 2.76Å; E257-R260 PolarHBondContact OE1-NH2 2.84Å; E257-R260 IonicContact OE2-CZ 2.98Å; E257-R260 IonicContact OE2-NE 2.61Å; E257-R260 PolarHBondContact OE2-NE 3.33Å; E257-R260 IonicContact OE2-NH2 3.18Å; E257-R260 PolarHBondContact OE2-NH2 3.04Å; E257-V261 HydrophobicContact CG-CG2 4.49Å; E257-V261 WeakPolarHBondContact O-CG2 3.21Å; E257-V261 PolarHBondContact O-N 3.02Å
258G89.6Confident88.7Confident14 Ų1446.7 Ų46.714%0.14424%0.24CC..Hα-helixtrans-58-43175.300000112.2F254 I255 N262 L274F254-G258 WeakPolarHBondContact O-CA 3.39Å; F254-G258 PolarHBondContact O-N 3.07Å; I255-G258 PolarHBondContact O-N 3.33Å; G258-N262 VanDerWaalsContact O-CB 3.26Å; G258-N262 WeakPolarHBondContact O-CB 3.26Å; G258-N262 PolarHBondContact O-N 2.84Å; G258-N262 PolarHBondContact O-ND2 3.16Å; G258-L274 VanDerWaalsContact C-CD1 3.44Å
259V91.6Very high88.7Confident2 Ų248.6 Ų48.61%0.01226%0.256CS..Hα-helixtrans-64.2-46.3172.4168.10000110.6I255 E257 V261 N262 V263 L271 L274 M275 A299I255-V259 WeakPolarHBondContact O-CB 3.5Å; I255-V259 WeakPolarHBondContact O-CG2 3.4Å; I255-V259 PolarHBondContact O-N 2.81Å; E257-V259 VanDerWaalsContact C-N 3.33Å; E257-V259 PolarHBondContact O-N 2.83Å; V259-V261 VanDerWaalsContact C-N 3.34Å; V259-V261 PolarHBondContact O-N 2.72Å; V259-N262 PolarHBondContact O-N 2.75Å; V259-V263 HydrophobicContact CG1-CG2 4.15Å; V259-V263 WeakPolarHBondContact O-CB 3.5Å; V259-V263 VanDerWaalsContact O-CG2 3.26Å; V259-V263 WeakPolarHBondContact O-CG2 3.17Å; V259-V263 PolarHBondContact O-N 3.36Å; V259-L271 HydrophobicContact CB-CD2 4.3Å; V259-L271 HydrophobicContact CG1-CD2 4.23Å; V259-L271 HydrophobicContact CG2-CD2 4.17Å; V259-L274 HydrophobicContact CG2-CB 4.27Å; V259-L274 HydrophobicContact CG2-CD1 4.02Å; V259-M275 HydrophobicContact CG2-CE 3.69Å; V259-A299 HydrophobicContact CB-CB 4.25Å; V259-A299 HydrophobicContact CG1-CB 4.29Å; V259-A299 HydrophobicContact CG2-CB 4.34Å
260R89.8Confident88.7Confident161 Ų16148.1 Ų48.161%0.60825%0.251SS*.Hα-helixtrans-56.9-44.7179.7-173.2167.472.1111.4-6.3112.3S256 E257S256-R260 WeakPolarHBondContact O-CB 3.22Å; S256-R260 PolarHBondContact O-N 2.58Å; S256-R260 VanDerWaalsContact O-N 3.09Å; E257-R260 WeakPolarHBondContact O-CB 3.38Å; E257-R260 PolarHBondContact O-N 2.68Å; E257-R260 VanDerWaalsContact O-N 3.1Å; E257-R260 IonicContact OE1-CZ 2.69Å; E257-R260 VanDerWaalsContact OE1-CZ 3.27Å; E257-R260 IonicContact OE1-NE 2.73Å; E257-R260 PolarHBondContact OE1-NE 2.68Å; E257-R260 IonicContact OE1-NH2 2.76Å; E257-R260 PolarHBondContact OE1-NH2 2.84Å; E257-R260 IonicContact OE2-CZ 2.98Å; E257-R260 IonicContact OE2-NE 2.61Å; E257-R260 PolarHBondContact OE2-NE 3.33Å; E257-R260 IonicContact OE2-NH2 3.18Å; E257-R260 PolarHBondContact OE2-NH2 3.04Å
261V90.1Very high88.7Confident56 Ų5644.7 Ų44.734%0.33924%0.238SC..Hα-helixtrans-72-46.2178175.50000111.6E257 V259 V263 V264 Q265E257-V261 HydrophobicContact CG-CG2 4.49Å; E257-V261 WeakPolarHBondContact O-CG2 3.21Å; E257-V261 PolarHBondContact O-N 3.02Å; V259-V261 VanDerWaalsContact C-N 3.34Å; V259-V261 PolarHBondContact O-N 2.72Å; V261-V263 VanDerWaalsContact C-N 3.33Å; V261-V263 PolarHBondContact O-N 3.07Å; V261-V264 PolarHBondContact O-N 3.18Å; V261-V264 VanDerWaalsContact O-N 3.08Å; V261-Q265 HydrophobicContact CG1-CG 4.27Å; V261-Q265 PolarHBondContact O-N 2.89Å
262N86.6Confident88.6Confident16 Ų1647.1 Ų47.19%0.08625%0.25CS..Hα-helixtrans-71.5-24-175.8-77.9-77.4000114.1G258 V259 Q265 N266 N267 L270 L271G258-N262 VanDerWaalsContact O-CB 3.26Å; G258-N262 WeakPolarHBondContact O-CB 3.26Å; G258-N262 PolarHBondContact O-N 2.84Å; G258-N262 PolarHBondContact O-ND2 3.16Å; V259-N262 PolarHBondContact O-N 2.75Å; N262-Q265 CarbonylContact O-C 3.59Å; N262-N266 PolarHBondContact O-N 2.99Å; N262-N267 PolarHBondContact O-N 3.22Å; N262-N267 VanDerWaalsContact O-N 3.16Å; N262-L270 WeakPolarHBondContact OD1-CB 3.43Å; N262-L270 VanDerWaalsContact OD1-CD1 3.26Å; N262-L270 WeakPolarHBondContact OD1-CD1 3.42Å; N262-L271 HydrophobicContact CB-CD2 3.65Å; N262-L271 HydrophobicContact CB-CG 3.9Å
263V87.2Confident88.7Confident29 Ų2949.7 Ų49.718%0.17626%0.26CS..Hα-helixtrans-66.1-37.7168.5168.20000111.2V259 V261 N266 L271 T302 L309V259-V263 HydrophobicContact CG1-CG2 4.15Å; V259-V263 WeakPolarHBondContact O-CB 3.5Å; V259-V263 VanDerWaalsContact O-CG2 3.26Å; V259-V263 WeakPolarHBondContact O-CG2 3.17Å; V259-V263 PolarHBondContact O-N 3.36Å; V261-V263 VanDerWaalsContact C-N 3.33Å; V261-V263 PolarHBondContact O-N 3.07Å; V263-N266 PolarHBondContact O-N 3.03Å; V263-L271 HydrophobicContact CG2-CD1 3.98Å; V263-L271 HydrophobicContact CG2-CD2 4.09Å; V263-T302 HydrophobicContact CG2-CG2 4.31Å; V263-L309 HydrophobicContact CG2-CD2 4.29Å
264V85.8Confident88.8Confident117 Ų11746.7 Ų46.771%0.70924%0.241SC*.Hα-helixtrans-72.5-39.5174.7178.60000111.2V261 N266V261-V264 PolarHBondContact O-N 3.18Å; V261-V264 VanDerWaalsContact O-N 3.08Å; V264-N266 PolarHBondContact O-N 3.21Å; V264-N266 PolarHBondContact O-ND2 2.92Å; V264-N266 VanDerWaalsContact O-ND2 3.12Å
265Q84.2Confident88.8Confident120 Ų12044 Ų4456%0.56123%0.229SC*.THydrogen-bonded Turntrans-75.7-5.8176.2-65.2-179-9.200114.1V261 N262 N267V261-Q265 HydrophobicContact CG1-CG 4.27Å; V261-Q265 PolarHBondContact O-N 2.89Å; N262-Q265 CarbonylContact O-C 3.59Å; Q265-N267 PolarHBondContact O-N 3.13Å
266N83.8Confident88.8Confident36 Ų3648.8 Ų48.819%0.19325%0.248CC..THydrogen-bonded Turntrans54.434.3-179.2-70.4-85.2000114.4N262 V263 V264 L268 L309 C310 L311N262-N266 PolarHBondContact O-N 2.99Å; V263-N266 PolarHBondContact O-N 3.03Å; V264-N266 PolarHBondContact O-N 3.21Å; V264-N266 PolarHBondContact O-ND2 2.92Å; V264-N266 VanDerWaalsContact O-ND2 3.12Å; N266-L268 PolarHBondContact O-N 3.34Å; N266-L309 CarbonylContact C-O 3.54Å; N266-C310 PolarHBondContact OD1-N 3.14Å; N266-L311 HydrophobicContact CB-CD2 4.03Å; N266-L311 HydrophobicContact CB-CG 4Å
267N84.8Confident88.9Confident60 Ų6047.9 Ų47.932%0.32124%0.241SC..  trans-93.294.5-178.2-171.2-28.1000111.7N262 Q265 A269 L270 L271N262-N267 PolarHBondContact O-N 3.22Å; N262-N267 VanDerWaalsContact O-N 3.16Å; Q265-N267 PolarHBondContact O-N 3.13Å; N267-A269 VanDerWaalsContact C-N 3.32Å; N267-A269 PolarHBondContact O-N 3.22Å; N267-A269 PolarHBondContact OD1-N 3.12Å; N267-L270 WeakPolarHBondContact ND2-CD1 3.28Å; N267-L270 PolarHBondContact OD1-N 3.01Å; N267-L271 WeakPolarHBondContact O-CG 3.29Å; N267-L271 PolarHBondContact O-N 2.72Å
268L85Confident89Confident22 Ų2244.2 Ų44.212%0.11522%0.224CC..Hα-helixtrans-58.2-39.3-179.4-177.660.1000113.4N266 L271 I272 D316 H318 L321N266-L268 PolarHBondContact O-N 3.34Å; L268-L271 PolarHBondContact O-N 3Å; L268-I272 HydrophobicContact CD1-CD1 4.12Å; L268-I272 HydrophobicContact CD1-CG1 4.33Å; L268-I272 HydrophobicContact CD2-CD1 4.48Å; L268-I272 HydrophobicContact CG-CD1 3.88Å; L268-I272 HydrophobicContact CG-CG1 4.5Å; L268-I272 WeakPolarHBondContact O-CG1 3.33Å; L268-I272 PolarHBondContact O-N 3.44Å; L268-D316 HydrophobicContact CD2-CB 4.02Å; L268-H318 HydrophobicContact CD1-CB 4.48Å; L268-L321 HydrophobicContact CD1-CB 3.92Å; L268-L321 HydrophobicContact CD1-CD2 3.58Å; L268-L321 HydrophobicContact CD1-CG 4.38Å
269A87.1Confident89.1Confident40 Ų4046.7 Ų46.733%0.33123%0.231SC..Hα-helixtrans-65.2-47.1-174.700000111.5N267 L271 I272 Y273N267-A269 VanDerWaalsContact C-N 3.32Å; N267-A269 PolarHBondContact O-N 3.22Å; N267-A269 PolarHBondContact OD1-N 3.12Å; A269-L271 VanDerWaalsContact C-N 3.34Å; A269-L271 PolarHBondContact O-N 3.15Å; A269-I272 PolarHBondContact O-N 2.96Å; A269-Y273 HydrophobicContact CB-CE2 4.43Å; A269-Y273 WeakPolarHBondContact O-CD1 3.48Å; A269-Y273 VanDerWaalsContact O-CG 3.24Å; A269-Y273 PolarHBondContact O-N 2.82Å
270L88.3Confident89.2Confident36 Ų3646.9 Ų46.919%0.18823%0.233CC..Hα-helixtrans-66.5-35.6178.2-64.7-175.7000112.1V224 N262 N267 Y273 L274V224-L270 HydrophobicContact CG1-CD2 3.92Å; N262-L270 WeakPolarHBondContact OD1-CB 3.43Å; N262-L270 VanDerWaalsContact OD1-CD1 3.26Å; N262-L270 WeakPolarHBondContact OD1-CD1 3.42Å; N267-L270 WeakPolarHBondContact ND2-CD1 3.28Å; N267-L270 PolarHBondContact OD1-N 3.01Å; L270-Y273 HydrophobicContact CD2-CD2 3.95Å; L270-Y273 HydrophobicContact CD2-CE2 4.32Å; L270-Y273 PolarHBondContact O-N 3.45Å; L270-L274 WeakPolarHBondContact O-CG 3.47Å; L270-L274 PolarHBondContact O-N 3.24Å
271L89.3Confident89.2Confident0 Ų039.3 Ų39.30%020%0.204CC..Hα-helixtrans-64.9-38.2172.9-66.4175.6000112.5V259 N262 V263 N267 L268 A269 M275 L309 L321V259-L271 HydrophobicContact CB-CD2 4.3Å; V259-L271 HydrophobicContact CG1-CD2 4.23Å; V259-L271 HydrophobicContact CG2-CD2 4.17Å; N262-L271 HydrophobicContact CB-CD2 3.65Å; N262-L271 HydrophobicContact CB-CG 3.9Å; V263-L271 HydrophobicContact CG2-CD1 3.98Å; V263-L271 HydrophobicContact CG2-CD2 4.09Å; N267-L271 WeakPolarHBondContact O-CG 3.29Å; N267-L271 PolarHBondContact O-N 2.72Å; L268-L271 PolarHBondContact O-N 3Å; A269-L271 VanDerWaalsContact C-N 3.34Å; A269-L271 PolarHBondContact O-N 3.15Å; L271-M275 VanDerWaalsContact O-CG 3.29Å; L271-M275 WeakPolarHBondContact O-CG 3.42Å; L271-M275 PolarHBondContact O-N 3.01Å; L271-L309 HydrophobicContact CD1-CD2 3.64Å; L271-L321 HydrophobicContact CB-CD2 3.69Å; L271-L321 HydrophobicContact CD1-CD2 4.34Å
272I90.1Very high89.1Confident50 Ų5037.3 Ų37.326%0.25619%0.191SC..Hα-helixtrans-62.8-42.9172.6-69.8166.2000110.8L268 A269 M275 R276 L321L268-I272 HydrophobicContact CD1-CD1 4.12Å; L268-I272 HydrophobicContact CD1-CG1 4.33Å; L268-I272 HydrophobicContact CD2-CD1 4.48Å; L268-I272 HydrophobicContact CG-CD1 3.88Å; L268-I272 HydrophobicContact CG-CG1 4.5Å; L268-I272 WeakPolarHBondContact O-CG1 3.33Å; L268-I272 PolarHBondContact O-N 3.44Å; A269-I272 PolarHBondContact O-N 2.96Å; I272-M275 PolarHBondContact O-N 2.92Å; I272-R276 WeakPolarHBondContact O-CG 3.43Å; I272-R276 PolarHBondContact O-N 3.19Å; I272-L321 HydrophobicContact CG1-CB 4.29Å; I272-L321 HydrophobicContact CG1-CD1 4Å
273Y91.7Very high89.3Confident55 Ų5539.8 Ų39.822%0.21621%0.205CC..Hα-helixtrans-67.3-42.6-179.9-55.4-19000111.8C223 R231 A269 L270 M275 R276 M277C223-Y273 WeakPolarHBondContact O-CD2 3.43Å; R231-Y273 PolarHBondContact NH2-OH 2.96Å; A269-Y273 HydrophobicContact CB-CE2 4.43Å; A269-Y273 WeakPolarHBondContact O-CD1 3.48Å; A269-Y273 VanDerWaalsContact O-CG 3.24Å; A269-Y273 PolarHBondContact O-N 2.82Å; L270-Y273 HydrophobicContact CD2-CD2 3.95Å; L270-Y273 HydrophobicContact CD2-CE2 4.32Å; L270-Y273 PolarHBondContact O-N 3.45Å; Y273-M275 PolarHBondContact O-N 3.19Å; Y273-R276 PolarHBondContact O-N 3.47Å; Y273-M277 PolarHBondContact O-N 3.42Å
274L92.4Very high89.4Confident10 Ų1038.7 Ų38.75%0.05220%0.198CC..Hα-helixtrans-63.1-40174.9-69174.6000112.3F254 I255 G258 V259 L270 M277 V278F254-L274 HydrophobicContact CE1-CD2 3.99Å; I255-L274 HydrophobicContact CG1-CD2 4.31Å; G258-L274 VanDerWaalsContact C-CD1 3.44Å; V259-L274 HydrophobicContact CG2-CB 4.27Å; V259-L274 HydrophobicContact CG2-CD1 4.02Å; L270-L274 WeakPolarHBondContact O-CG 3.47Å; L270-L274 PolarHBondContact O-N 3.24Å; L274-M277 WeakPolarHBondContact O-CB 3.41Å; L274-M277 PolarHBondContact O-N 3.44Å; L274-V278 WeakPolarHBondContact O-CG2 3.48Å; L274-V278 PolarHBondContact O-N 3.23Å
275M92.4Very high89.4Confident0 Ų039 Ų390%020%0.202CC..Hα-helixtrans-68-35.6174.2-65.9-62.594.100112.3V259 L271 I272 Y273 M277 V278 K279 V300 C303 L321 F324 A325 L328V259-M275 HydrophobicContact CG2-CE 3.69Å; L271-M275 VanDerWaalsContact O-CG 3.29Å; L271-M275 WeakPolarHBondContact O-CG 3.42Å; L271-M275 PolarHBondContact O-N 3.01Å; I272-M275 PolarHBondContact O-N 2.92Å; Y273-M275 PolarHBondContact O-N 3.19Å; M275-M277 VanDerWaalsContact C-N 3.31Å; M275-V278 HydrophobicContact CE-CG2 4.18Å; M275-V278 PolarHBondContact O-N 3.1Å; M275-K279 PolarHBondContact O-N 2.75Å; M275-V300 HydrophobicContact CE-CG2 4.27Å; M275-V300 HydrophobicContact SD-CB 4.35Å; M275-V300 HydrophobicContact SD-CG1 4.3Å; M275-V300 HydrophobicContact SD-CG2 4Å; M275-C303 HydrophobicContact SD-CB 4.08Å; M275-L321 HydrophobicContact CB-CD1 4.29Å; M275-L321 HydrophobicContact CG-CD1 3.77Å; M275-F324 HydrophobicContact CB-CD1 3.88Å; M275-F324 HydrophobicContact CB-CE1 3.8Å; M275-A325 HydrophobicContact SD-CB 4.42Å; M275-L328 HydrophobicContact CB-CD2 4.45Å; M275-L328 HydrophobicContact SD-CD2 4.23Å
276R92.7Very high89.4Confident102 Ų10236.1 Ų36.139%0.38519%0.193SC..Hα-helixtrans-62.5-38.3170.7-73.9-176.8-178-171.44.3111.4E228 L235 I272 Y273 K279 A280 F324E228-R276 IonicContact OE1-NH1 2.66Å; E228-R276 PolarHBondContact OE1-NH1 3Å; L235-R276 HydrophobicContact CD1-CB 3.91Å; L235-R276 HydrophobicContact CD2-CB 4.27Å; I272-R276 WeakPolarHBondContact O-CG 3.43Å; I272-R276 PolarHBondContact O-N 3.19Å; Y273-R276 PolarHBondContact O-N 3.47Å; R276-K279 WeakPolarHBondContact O-CB 3.47Å; R276-K279 PolarHBondContact O-N 3.47Å; R276-A280 PolarHBondContact O-N 3.33Å; R276-F324 HydrophobicContact CG-CZ 4.29Å
277M92.8Very high89.4Confident0 Ų034.9 Ų34.90%019%0.186CC..Hα-helixtrans-63.4-42.9175.7-161.5-175.7-172.400112.3I219 C223 L235 I238 F251 F254 I255 Y273 L274 M275 K279 A280 L281I219-M277 HydrophobicContact CG2-CE 4.07Å; C223-M277 HydrophobicContact CB-SD 4.49Å; L235-M277 HydrophobicContact CD2-CB 4.16Å; I238-M277 HydrophobicContact CD1-CE 3.79Å; I238-M277 HydrophobicContact CD1-CG 3.81Å; F251-M277 HydrophobicContact CD1-CE 3.48Å; F251-M277 VanDerWaalsContact CD1-CE 3.48Å; F251-M277 HydrophobicContact CE1-CE 3.78Å; F251-M277 HydrophobicContact CG-CE 4.31Å; F254-M277 HydrophobicContact CD1-SD 4.33Å; F254-M277 HydrophobicContact CE1-SD 4.17Å; I255-M277 HydrophobicContact CD1-CB 4.34Å; I255-M277 HydrophobicContact CD1-CG 4.05Å; I255-M277 HydrophobicContact CD1-SD 3.9Å; I255-M277 HydrophobicContact CG1-SD 3.83Å; Y273-M277 PolarHBondContact O-N 3.42Å; L274-M277 WeakPolarHBondContact O-CB 3.41Å; L274-M277 PolarHBondContact O-N 3.44Å; M275-M277 VanDerWaalsContact C-N 3.31Å; M277-K279 VanDerWaalsContact C-N 3.32Å; M277-K279 PolarHBondContact O-N 3.22Å; M277-A280 PolarHBondContact O-N 3.49Å; M277-L281 WeakPolarHBondContact O-CG 3.33Å; M277-L281 PolarHBondContact O-N 3.44Å
278V93.3Very high89.3Confident2 Ų240.5 Ų40.51%0.01220%0.204CC..Hα-helixtrans-61.6-39.3172.2178.20000111.5I255 L274 M275 L281 M282 L296 V300 L328I255-V278 HydrophobicContact CD1-CG2 3.97Å; I255-V278 HydrophobicContact CG2-CG2 3.48Å; I255-V278 VanDerWaalsContact CG2-CG2 3.48Å; L274-V278 WeakPolarHBondContact O-CG2 3.48Å; L274-V278 PolarHBondContact O-N 3.23Å; M275-V278 HydrophobicContact CE-CG2 4.18Å; M275-V278 PolarHBondContact O-N 3.1Å; V278-L281 PolarHBondContact O-N 2.88Å; V278-M282 HydrophobicContact CG1-CG 4.48Å; V278-M282 HydrophobicContact CG1-SD 4Å; V278-M282 WeakPolarHBondContact O-CB 3.24Å; V278-M282 WeakPolarHBondContact O-CG 3.4Å; V278-M282 PolarHBondContact O-N 2.88Å; V278-L296 HydrophobicContact CG2-CD2 4.4Å; V278-V300 HydrophobicContact CG1-CG2 4.13Å; V278-L328 HydrophobicContact CB-CD2 3.96Å; V278-L328 HydrophobicContact CG1-CD1 4.32Å; V278-L328 HydrophobicContact CG1-CD2 3.82Å; V278-L328 HydrophobicContact CG1-CG 4.34Å
279K92.5Very high89.2Confident67 Ų6739.5 Ų39.529%0.29120%0.199SC..Hα-helixtrans-61.8-47.9175.4-160.7-159.6-177.8-600111.4M275 R276 M277 L281 M282 D283 F324 L328M275-K279 PolarHBondContact O-N 2.75Å; R276-K279 WeakPolarHBondContact O-CB 3.47Å; R276-K279 PolarHBondContact O-N 3.47Å; M277-K279 VanDerWaalsContact C-N 3.32Å; M277-K279 PolarHBondContact O-N 3.22Å; K279-L281 VanDerWaalsContact C-N 3.33Å; K279-L281 PolarHBondContact O-N 2.94Å; K279-M282 CarbonylContact O-C 3.35Å; K279-M282 PolarHBondContact O-N 3.5Å; K279-D283 IonicContact NZ-OD1 3.02Å; K279-D283 PolarHBondContact NZ-OD1 3.32Å; K279-D283 IonicContact NZ-OD2 2.89Å; K279-D283 PolarHBondContact NZ-OD2 2.89Å; K279-D283 PolarHBondContact O-N 3.47Å; K279-F324 HydrophobicContact CB-CZ 4.16Å; K279-F324 HydrophobicContact CD-CE2 4.38Å; K279-F324 HydrophobicContact CD-CZ 4.09Å; K279-L328 HydrophobicContact CB-CD1 3.84Å; K279-L328 HydrophobicContact CG-CD1 3.97Å
280A92.4Very high88.9Confident6 Ų641.2 Ų41.25%0.0520%0.2CC..Hα-helixtrans-57.9-43.7177.600000112.3L235 I238 A239 R276 M277 M282 D283 N284L235-A280 HydrophobicContact CB-CB 4.5Å; L235-A280 HydrophobicContact CD2-CB 4.05Å; L235-A280 WeakPolarHBondContact O-CB 3.4Å; I238-A280 HydrophobicContact CB-CB 4.02Å; I238-A280 HydrophobicContact CG2-CB 3.66Å; A239-A280 WeakPolarHBondContact CA-O 3.09Å; A239-A280 HydrophobicContact CB-CB 4.24Å; R276-A280 PolarHBondContact O-N 3.33Å; M277-A280 PolarHBondContact O-N 3.49Å; A280-M282 VanDerWaalsContact C-N 3.3Å; A280-M282 PolarHBondContact O-N 3.07Å; A280-D283 PolarHBondContact O-N 3.08Å; A280-N284 PolarHBondContact O-N 3.21Å
281L90.8Very high88.6Confident1 Ų143.9 Ų43.91%0.00521%0.21CC..Hα-helixtrans-62.5-33.9174.7-72.4168.9000113.1I238 L248 F251 I255 M277 V278 K279 L287 L289I238-L281 HydrophobicContact CG2-CB 4.43Å; I238-L281 HydrophobicContact CG2-CD2 3.56Å; I238-L281 HydrophobicContact CG2-CG 3.66Å; L248-L281 HydrophobicContact CD1-CD2 3.93Å; F251-L281 HydrophobicContact CB-CD1 4.4Å; I255-L281 HydrophobicContact CD1-CD1 3.48Å; I255-L281 VanDerWaalsContact CD1-CD1 3.48Å; M277-L281 WeakPolarHBondContact O-CG 3.33Å; M277-L281 PolarHBondContact O-N 3.44Å; V278-L281 PolarHBondContact O-N 2.88Å; K279-L281 VanDerWaalsContact C-N 3.33Å; K279-L281 PolarHBondContact O-N 2.94Å; L281-L287 HydrophobicContact CD2-CD1 4.16Å; L281-L289 HydrophobicContact CB-CD2 4.34Å; L281-L289 WeakPolarHBondContact O-CD1 3.44Å
282M88.9Confident88.5Confident14 Ų1444.5 Ų44.57%0.06921%0.213CC..Hα-helixtrans-82.6-21.8178-78.6178.436.800114.7V278 K279 A280 L289 L328 Q331 S332 F336V278-M282 HydrophobicContact CG1-CG 4.48Å; V278-M282 HydrophobicContact CG1-SD 4Å; V278-M282 WeakPolarHBondContact O-CB 3.24Å; V278-M282 WeakPolarHBondContact O-CG 3.4Å; V278-M282 PolarHBondContact O-N 2.88Å; K279-M282 CarbonylContact O-C 3.35Å; K279-M282 PolarHBondContact O-N 3.5Å; A280-M282 VanDerWaalsContact C-N 3.3Å; A280-M282 PolarHBondContact O-N 3.07Å; M282-L289 HydrophobicContact CB-CD2 4.41Å; M282-L289 HydrophobicContact CG-CD2 3.66Å; M282-L328 HydrophobicContact CE-CD1 3.71Å; M282-L328 HydrophobicContact SD-CD1 3.7Å; M282-L328 HydrophobicContact SD-CG 4.32Å; M282-Q331 HydrophobicContact CE-CB 3.8Å; M282-Q331 HydrophobicContact CE-CG 3.7Å; M282-S332 VanDerWaalsContact CE-N 3.33Å; M282-S332 VanDerWaalsContact CE-OG 3.26Å; M282-S332 WeakPolarHBondContact CE-OG 3.08Å; M282-S332 PolarHBondContact SD-OG 3.21Å; M282-F336 HydrophobicContact CG-CE2 4.42Å
283D89.8Confident88.3Confident69 Ų6942.3 Ų42.337%0.36920%0.201SC..Hα-helixtrans-80.3-21.5176.2-66-24.4000111.7K279 A280 P285 Q331K279-D283 IonicContact NZ-OD1 3.02Å; K279-D283 PolarHBondContact NZ-OD1 3.32Å; K279-D283 IonicContact NZ-OD2 2.89Å; K279-D283 PolarHBondContact NZ-OD2 2.89Å; K279-D283 PolarHBondContact O-N 3.47Å; A280-D283 PolarHBondContact O-N 3.08Å; D283-P285 VanDerWaalsContact O-CD 3.32Å; D283-P285 WeakPolarHBondContact O-CD 3.35Å; D283-Q331 PolarHBondContact OD1-NE2 3.29Å
284N90.1Very high88Confident6 Ų645.2 Ų45.23%0.03222%0.217CC..  trans-75.7111.2179.2-171.7-28.5000111.5I238 A239 D241 A280 T286 L287I238-N284 PolarHBondContact O-ND2 3.24Å; A239-N284 WeakPolarHBondContact O-CA 3.23Å; A239-N284 WeakPolarHBondContact O-CB 3.34Å; D241-N284 PolarHBondContact O-ND2 3.36Å; A280-N284 PolarHBondContact O-N 3.21Å; N284-T286 PolarHBondContact O-N 2.93Å; N284-T286 WeakPolarHBondContact OD1-CB 3.47Å; N284-T286 PolarHBondContact OD1-N 2.99Å; N284-T286 PolarHBondContact OD1-OG1 2.93Å; N284-L287 HydrophobicContact CB-CD1 4.06Å; N284-L287 HydrophobicContact CB-CG 4.26Å
285P84.9Confident87.8Confident122 Ų12247.2 Ų47.279%0.79223%0.226SC*.THydrogen-bonded Turntrans-77.2-8.2-174.433.7-37.2000113.7D283D283-P285 VanDerWaalsContact O-CD 3.32Å; D283-P285 WeakPolarHBondContact O-CD 3.35Å
286T85.3Confident87.7Confident61 Ų6147.4 Ų47.437%0.37423%0.227SC..THydrogen-bonded Turntrans-89.1-12.3-176.1710000113.2P242 N284P242-T286 WeakPolarHBondContact CA-OG1 3.33Å; P242-T286 HydrophobicContact CB-CG2 4.24Å; N284-T286 PolarHBondContact O-N 2.93Å; N284-T286 WeakPolarHBondContact OD1-CB 3.47Å; N284-T286 PolarHBondContact OD1-N 2.99Å; N284-T286 PolarHBondContact OD1-OG1 2.93Å
287L83.1Confident87.6Confident10 Ų1043.5 Ų43.55%0.05221%0.213CC..SBendtrans-100.2118.8-174.7-58.2-179.4000111.2L244 L248 L281 N284 L289L244-L287 HydrophobicContact CB-CD1 4.33Å; L244-L287 HydrophobicContact CB-CD2 4.12Å; L248-L287 HydrophobicContact CD2-CB 4.44Å; L281-L287 HydrophobicContact CD2-CD1 4.16Å; N284-L287 HydrophobicContact CB-CD1 4.06Å; N284-L287 HydrophobicContact CB-CG 4.26Å; L287-L289 VanDerWaalsContact C-N 3.25Å; L287-L289 HydrophobicContact CB-CD1 3.48Å; L287-L289 VanDerWaalsContact CB-CD1 3.48Å; L287-L289 HydrophobicContact CD1-CD1 4.44Å; L287-L289 WeakPolarHBondContact O-CD1 3.41Å; L287-L289 PolarHBondContact O-N 3.12Å
288Y82.1Confident87.5Confident177 Ų17746 Ų4669%0.69423%0.229SC*.  trans-74.474.8176.1-61.3-78.9000111.7Y245 E290Y245-Y288 HydrophobicContact CE2-CD2 4.33Å; Y288-E290 PolarHBondContact O-N 3.45Å
289L82.8Confident87.4Confident2 Ų246.2 Ų46.21%0.0123%0.231CC..G310 helixtrans-64.3-21.9-177.7-98.270.6000114.2L248 L281 M282 L287 K291 Y292 L293 L296 F336L248-L289 HydrophobicContact CD1-CD1 4.15Å; L248-L289 HydrophobicContact CD2-CD1 4Å; L248-L289 HydrophobicContact CD2-CG 4.48Å; L281-L289 HydrophobicContact CB-CD2 4.34Å; L281-L289 WeakPolarHBondContact O-CD1 3.44Å; M282-L289 HydrophobicContact CB-CD2 4.41Å; M282-L289 HydrophobicContact CG-CD2 3.66Å; L287-L289 VanDerWaalsContact C-N 3.25Å; L287-L289 HydrophobicContact CB-CD1 3.48Å; L287-L289 VanDerWaalsContact CB-CD1 3.48Å; L287-L289 HydrophobicContact CD1-CD1 4.44Å; L287-L289 WeakPolarHBondContact O-CD1 3.41Å; L287-L289 PolarHBondContact O-N 3.12Å; L289-K291 PolarHBondContact O-N 3.16Å; L289-Y292 PolarHBondContact O-N 3.34Å; L289-L293 HydrophobicContact CB-CD2 4.36Å; L289-L293 WeakPolarHBondContact O-CG 3.42Å; L289-L293 PolarHBondContact O-N 2.99Å; L289-L293 VanDerWaalsContact O-N 3.16Å; L289-L296 HydrophobicContact CD2-CD1 4.49Å; L289-F336 HydrophobicContact CB-CE1 4.41Å; L289-F336 HydrophobicContact CB-CZ 4Å
290E81.8Confident87.4Confident75 Ų7543.2 Ų43.235%0.3522%0.219SC..G310 helixtrans-48.6-39.6-171.2-69.3-159.2141.500114.1Y288 Y292 F336 T338Y288-E290 PolarHBondContact O-N 3.45Å; E290-Y292 VanDerWaalsContact C-N 3.31Å; E290-Y292 PolarHBondContact O-N 2.99Å; E290-F336 HydrophobicContact CG-CD1 3.9Å; E290-F336 HydrophobicContact CG-CE1 4.46Å; E290-T338 PolarHBondContact OE1-OG1 3.26Å
291K82.3Confident87.4Confident92 Ų9243.7 Ų43.740%0.422%0.221SC..G310 helixtrans-61.7-36.2177.5-177.4-178.2169.6-1520112.6E139 L289 H294E139-K291 VanDerWaalsContact OE1-CD 3.28Å; E139-K291 WeakPolarHBondContact OE1-CD 3.33Å; E139-K291 IonicContact OE1-NZ 3.5Å; E139-K291 PolarHBondContact OE1-NZ 3.05Å; E139-K291 IonicContact OE2-NZ 2.72Å; E139-K291 PolarHBondContact OE2-NZ 2.7Å; L289-K291 PolarHBondContact O-N 3.16Å; K291-H294 PolarHBondContact O-CE1 3.07Å; K291-H294 VanDerWaalsContact O-CE1 3.26Å; K291-H294 PolarHBondContact O-ND1 3.29Å
292Y85.9Confident87.4Confident14 Ų1446.5 Ų46.56%0.05524%0.238CC..THydrogen-bonded Turntrans-98-10.4-171.3-55.8-77.5000113.7E139 L248 P249 L289 E290 H294 E295 L296E139-Y292 PolarHBondContact OE1-OH 3.11Å; L248-Y292 HydrophobicContact CD2-CD2 3.61Å; L248-Y292 HydrophobicContact CD2-CE2 3.86Å; L248-Y292 HydrophobicContact CG-CD2 3.86Å; L248-Y292 HydrophobicContact CG-CE2 4.16Å; L248-Y292 HydrophobicContact CG-CG 4.4Å; P249-Y292 HydrophobicContact CB-CE1 3.92Å; P249-Y292 HydrophobicContact CG-CE1 3.82Å; L289-Y292 PolarHBondContact O-N 3.34Å; E290-Y292 VanDerWaalsContact C-N 3.31Å; E290-Y292 PolarHBondContact O-N 2.99Å; Y292-H294 PolarHBondContact O-N 3.34Å; Y292-H294 VanDerWaalsContact O-N 3.07Å; Y292-E295 PolarHBondContact O-N 2.98Å; Y292-L296 PolarHBondContact O-N 3.02Å
293L86.1Confident87.4Confident3 Ų345.9 Ų45.92%0.01624%0.235CC..Hα-helixtrans-54.2-30.2177-66.4178.3000113.6L289 E295 I297 F336 I343L289-L293 HydrophobicContact CB-CD2 4.36Å; L289-L293 WeakPolarHBondContact O-CG 3.42Å; L289-L293 PolarHBondContact O-N 2.99Å; L289-L293 VanDerWaalsContact O-N 3.16Å; L293-E295 PolarHBondContact O-N 3.28Å; L293-I297 HydrophobicContact CB-CD1 3.93Å; L293-I297 HydrophobicContact CB-CG1 4.45Å; L293-I297 WeakPolarHBondContact O-CB 3.38Å; L293-I297 WeakPolarHBondContact O-CG1 3.4Å; L293-I297 PolarHBondContact O-N 2.89Å; L293-F336 HydrophobicContact CD1-CB 3.42Å; L293-F336 VanDerWaalsContact CD1-CB 3.42Å; L293-F336 HydrophobicContact CD1-CD1 4.15Å; L293-F336 HydrophobicContact CD1-CD2 3.65Å; L293-F336 HydrophobicContact CD1-CE2 4.43Å; L293-F336 HydrophobicContact CD1-CG 3.48Å; L293-F336 VanDerWaalsContact CD1-CG 3.48Å; L293-F336 HydrophobicContact CD2-CD2 3.85Å; L293-F336 HydrophobicContact CD2-CE2 4Å; L293-F336 HydrophobicContact CD2-CG 4.5Å; L293-F336 HydrophobicContact CG-CD2 4.38Å; L293-I343 HydrophobicContact CB-CD1 4.45Å; L293-I343 HydrophobicContact CD1-CD1 3.59Å
294H86.3Confident87.4Confident116 Ų11642.6 Ų42.654%0.53722%0.218SC..Hα-helixtrans-68-19.7-179.677.8-88.4000114K291 Y292 P298K291-H294 PolarHBondContact O-CE1 3.07Å; K291-H294 VanDerWaalsContact O-CE1 3.26Å; K291-H294 PolarHBondContact O-ND1 3.29Å; Y292-H294 PolarHBondContact O-N 3.34Å; Y292-H294 VanDerWaalsContact O-N 3.07Å; H294-P298 VanDerWaalsContact O-CD 3.28Å; H294-P298 WeakPolarHBondContact O-CD 3.26Å; H294-P298 VanDerWaalsContact O-CG 3.3Å; H294-P298 WeakPolarHBondContact O-CG 3.41Å
295E88Confident87.2Confident53 Ų5344 Ų4425%0.24823%0.227CC..Hα-helixtrans-96-48.4176.3-166.2-171.4-170.300110.5S252 T253 Y292 L293 P298S252-E295 VanDerWaalsContact CB-OE2 3.26Å; S252-E295 WeakPolarHBondContact CB-OE2 3.4Å; S252-E295 PolarHBondContact OG-OE2 2.86Å; T253-E295 WeakPolarHBondContact CA-OE1 3.45Å; T253-E295 WeakPolarHBondContact CB-OE1 3.06Å; T253-E295 PolarHBondContact OG1-OE1 3.46Å; Y292-E295 PolarHBondContact O-N 2.98Å; L293-E295 PolarHBondContact O-N 3.28Å; E295-P298 VanDerWaalsContact O-CD 3.32Å; E295-P298 WeakPolarHBondContact O-CD 3.37Å
296L90Very high87.2Confident4 Ų438.9 Ų38.92%0.02119%0.194CC..Hα-helixtrans-64.8-41.7-179.3-69.2174.7000114I255 V278 L289 Y292 A299 V300I255-L296 HydrophobicContact CB-CD2 4.35Å; I255-L296 HydrophobicContact CD1-CD2 4.5Å; I255-L296 HydrophobicContact CG2-CD2 4.07Å; V278-L296 HydrophobicContact CG2-CD2 4.4Å; L289-L296 HydrophobicContact CD2-CD1 4.49Å; Y292-L296 PolarHBondContact O-N 3.02Å; L296-A299 WeakPolarHBondContact O-CB 3.44Å; L296-A299 PolarHBondContact O-N 2.88Å; L296-A299 VanDerWaalsContact O-N 3.09Å; L296-V300 PolarHBondContact O-N 2.77Å
297I90.5Very high86.9Confident19 Ų1942.3 Ų42.310%0.09720%0.203CC..Hα-helixtrans-63.6-44.4-176-70.8173.5000111.9L293 A299 V300 V301 I343 I347L293-I297 HydrophobicContact CB-CD1 3.93Å; L293-I297 HydrophobicContact CB-CG1 4.45Å; L293-I297 WeakPolarHBondContact O-CB 3.38Å; L293-I297 WeakPolarHBondContact O-CG1 3.4Å; L293-I297 PolarHBondContact O-N 2.89Å; I297-A299 VanDerWaalsContact C-N 3.27Å; I297-A299 PolarHBondContact O-N 3.07Å; I297-V300 PolarHBondContact O-N 3.16Å; I297-V301 HydrophobicContact CG2-CG2 4.11Å; I297-V301 WeakPolarHBondContact O-CB 3.49Å; I297-V301 VanDerWaalsContact O-CG2 3.32Å; I297-V301 WeakPolarHBondContact O-CG2 3.44Å; I297-V301 PolarHBondContact O-N 2.95Å; I297-I343 HydrophobicContact CD1-CD1 4.03Å; I297-I343 HydrophobicContact CD1-CG1 4.37Å; I297-I343 HydrophobicContact CD1-CG2 3.64Å; I297-I347 HydrophobicContact CD1-CD1 4.44Å; I297-I347 HydrophobicContact CG2-CD1 3.65Å; I297-I347 HydrophobicContact CG2-CG1 3.84Å
298P91Very high86.4Confident52 Ų5248 Ų4834%0.33823%0.23SC..Hα-helixtrans-51.5-40168.3-31.235.7000114.7H294 E295 T302H294-P298 VanDerWaalsContact O-CD 3.28Å; H294-P298 WeakPolarHBondContact O-CD 3.26Å; H294-P298 VanDerWaalsContact O-CG 3.3Å; H294-P298 WeakPolarHBondContact O-CG 3.41Å; E295-P298 VanDerWaalsContact O-CD 3.32Å; E295-P298 WeakPolarHBondContact O-CD 3.37Å; P298-T302 WeakPolarHBondContact O-CB 3.34Å; P298-T302 PolarHBondContact O-N 3.19Å; P298-T302 PolarHBondContact O-OG1 3.17Å
299A91.7Very high85.9Confident7 Ų739.8 Ų39.86%0.05820%0.198CC..Hα-helixtrans-65.8-48.7177.200000111.5V259 L296 I297 V301 T302 C303V259-A299 HydrophobicContact CB-CB 4.25Å; V259-A299 HydrophobicContact CG1-CB 4.29Å; V259-A299 HydrophobicContact CG2-CB 4.34Å; L296-A299 WeakPolarHBondContact O-CB 3.44Å; L296-A299 PolarHBondContact O-N 2.88Å; L296-A299 VanDerWaalsContact O-N 3.09Å; I297-A299 VanDerWaalsContact C-N 3.27Å; I297-A299 PolarHBondContact O-N 3.07Å; A299-V301 PolarHBondContact O-N 3.18Å; A299-T302 WeakPolarHBondContact O-CB 3.49Å; A299-T302 PolarHBondContact O-N 3.39Å; A299-T302 VanDerWaalsContact O-N 3.14Å; A299-C303 PolarHBondContact O-N 3.28Å; A299-C303 VanDerWaalsContact O-N 3.1Å
300V92.8Very high85.3Confident4 Ų440.2 Ų40.22%0.02420%0.201CC..Hα-helixtrans-61.8-43.2176.7-178.10000111.5M275 V278 L296 I297 T302 C303 I304 A325 L328 M329M275-V300 HydrophobicContact CE-CG2 4.27Å; M275-V300 HydrophobicContact SD-CB 4.35Å; M275-V300 HydrophobicContact SD-CG1 4.3Å; M275-V300 HydrophobicContact SD-CG2 4Å; V278-V300 HydrophobicContact CG1-CG2 4.13Å; L296-V300 PolarHBondContact O-N 2.77Å; I297-V300 PolarHBondContact O-N 3.16Å; V300-T302 VanDerWaalsContact C-N 3.28Å; V300-T302 PolarHBondContact O-N 2.93Å; V300-C303 WeakPolarHBondContact O-CB 3.49Å; V300-C303 PolarHBondContact O-N 2.87Å; V300-I304 HydrophobicContact CG1-CD1 4.39Å; V300-I304 WeakPolarHBondContact O-CG1 3.47Å; V300-I304 PolarHBondContact O-N 3.4Å; V300-I304 VanDerWaalsContact O-N 3.14Å; V300-A325 HydrophobicContact CG1-CB 4.15Å; V300-A325 WeakPolarHBondContact CG1-O 3.5Å; V300-L328 HydrophobicContact CG1-CD2 4.28Å; V300-L328 HydrophobicContact CG2-CD2 4.13Å; V300-M329 HydrophobicContact CG1-CB 4.01Å
301V91.1Very high84.5Confident17 Ų1743.4 Ų43.410%0.10322%0.22CC..Hα-helixtrans-64.9-32.1176.11730000111.5I297 A299 I304 V305 T350I297-V301 HydrophobicContact CG2-CG2 4.11Å; I297-V301 WeakPolarHBondContact O-CB 3.49Å; I297-V301 VanDerWaalsContact O-CG2 3.32Å; I297-V301 WeakPolarHBondContact O-CG2 3.44Å; I297-V301 PolarHBondContact O-N 2.95Å; A299-V301 PolarHBondContact O-N 3.18Å; V301-I304 PolarHBondContact O-N 3.46Å; V301-V305 HydrophobicContact CG1-CG2 3.91Å; V301-V305 WeakPolarHBondContact O-CB 3.23Å; V301-V305 WeakPolarHBondContact O-CG2 3.36Å; V301-V305 PolarHBondContact O-N 2.71Å; V301-T350 HydrophobicContact CG1-CG2 4.17Å
302T91.1Very high83.6Confident60 Ų6046.9 Ų46.937%0.36823%0.23SC..Hα-helixtrans-65.1-42.1173-58.60000111.2V263 P298 A299 V300 I304 V305 S306V263-T302 HydrophobicContact CG2-CG2 4.31Å; P298-T302 WeakPolarHBondContact O-CB 3.34Å; P298-T302 PolarHBondContact O-N 3.19Å; P298-T302 PolarHBondContact O-OG1 3.17Å; A299-T302 WeakPolarHBondContact O-CB 3.49Å; A299-T302 PolarHBondContact O-N 3.39Å; A299-T302 VanDerWaalsContact O-N 3.14Å; V300-T302 VanDerWaalsContact C-N 3.28Å; V300-T302 PolarHBondContact O-N 2.93Å; T302-I304 PolarHBondContact O-N 3.03Å; T302-V305 PolarHBondContact O-N 2.82Å; T302-S306 WeakPolarHBondContact O-CB 3.27Å; T302-S306 PolarHBondContact O-N 3.1Å; T302-S306 PolarHBondContact O-OG 3.14Å
303C88.5Confident82.5Confident0 Ų048.4 Ų48.40%024%0.242CC..Hα-helixtrans-60.2-31.5172-65.50000113M275 A299 V300 A325M275-C303 HydrophobicContact SD-CB 4.08Å; A299-C303 PolarHBondContact O-N 3.28Å; A299-C303 VanDerWaalsContact O-N 3.1Å; V300-C303 WeakPolarHBondContact O-CB 3.49Å; V300-C303 PolarHBondContact O-N 2.87Å; C303-A325 HydrophobicContact CB-CB 4.14Å
304I89.6Confident81.3Confident0 Ų053.4 Ų53.40%027%0.268CS..Hα-helixtrans-77.1-46.3176.9-63.6168.8000112.1V300 V301 T302 R322 A325 M329 L351 G367V300-I304 HydrophobicContact CG1-CD1 4.39Å; V300-I304 WeakPolarHBondContact O-CG1 3.47Å; V300-I304 PolarHBondContact O-N 3.4Å; V300-I304 VanDerWaalsContact O-N 3.14Å; V301-I304 PolarHBondContact O-N 3.46Å; T302-I304 PolarHBondContact O-N 3.03Å; I304-R322 PolarHBondContact O-NH1 3.35Å; I304-A325 HydrophobicContact CD1-CB 4.33Å; I304-A325 HydrophobicContact CG1-CB 3.63Å; I304-M329 HydrophobicContact CD1-CB 3.95Å; I304-M329 HydrophobicContact CD1-CE 4.44Å; I304-M329 HydrophobicContact CD1-CG 4.26Å; I304-L351 HydrophobicContact CG2-CD2 4.36Å; I304-G367 WeakPolarHBondContact CG2-O 3.47Å
305V86.8Confident80.2Confident36 Ų3652.5 Ų52.522%0.21827%0.271CS..Hα-helixtrans-97-21.6-164.21730000113.5V301 T302 L351 T364V301-V305 HydrophobicContact CG1-CG2 3.91Å; V301-V305 WeakPolarHBondContact O-CB 3.23Å; V301-V305 WeakPolarHBondContact O-CG2 3.36Å; V301-V305 PolarHBondContact O-N 2.71Å; T302-V305 PolarHBondContact O-N 2.82Å; V305-L351 HydrophobicContact CG2-CD2 3.78Å; V305-T364 HydrophobicContact CG1-CG2 4.04Å; V305-T364 WeakPolarHBondContact O-CB 3.42Å; V305-T364 WeakPolarHBondContact O-CG2 3.47Å; V305-T364 PolarHBondContact O-OG1 3.39Å
306S84.6Confident79.4Confident15 Ų1552.7 Ų52.711%0.10527%0.273CS..  trans-44.6142.5-179.8440000114.5T302 L309 R322T302-S306 WeakPolarHBondContact O-CB 3.27Å; T302-S306 PolarHBondContact O-N 3.1Å; T302-S306 PolarHBondContact O-OG 3.14Å; S306-L309 VanDerWaalsContact OG-CD2 3.24Å; S306-L309 WeakPolarHBondContact OG-CD2 3.45Å; S306-L309 WeakPolarHBondContact OG-CG 3.37Å; S306-R322 VanDerWaalsContact O-CZ 3.26Å; S306-R322 PolarHBondContact O-NH1 3Å; S306-R322 PolarHBondContact O-NH2 3.36Å
307K78.4Confident78.9Confident132 Ų13258.2 Ų58.257%0.57430%0.303SS*.SBendtrans-69.6-59.3-176.7-78.2-171.4178.8-1730112.1T363K307-T363 PolarHBondContact O-OG1 3.33Å
308Q73.8Confident78.6Confident131 Ų13157.6 Ų57.661%0.61230%0.3SS*.  trans-117.3149.3173-71.8163.9-32.100108.9
309L71.5Confident78.4Confident4 Ų456.6 Ų56.62%0.02129%0.289CS..  trans-134-11-179.4-80.4171.5000112.2V263 N266 L271 S306 H318 L321 R322V263-L309 HydrophobicContact CG2-CD2 4.29Å; N266-L309 CarbonylContact C-O 3.54Å; L271-L309 HydrophobicContact CD1-CD2 3.64Å; S306-L309 VanDerWaalsContact OG-CD2 3.24Å; S306-L309 WeakPolarHBondContact OG-CD2 3.45Å; S306-L309 WeakPolarHBondContact OG-CG 3.37Å; L309-H318 HydrophobicContact CB-CB 4.47Å; L309-H318 HydrophobicContact CD1-CB 4.45Å; L309-L321 HydrophobicContact CD1-CD2 4.32Å; L309-L321 HydrophobicContact CD2-CD2 4.45Å; L309-R322 HydrophobicContact CD1-CG 4.2Å
310C68.7Low78.2Confident10 Ų1059 Ų597%0.06831%0.309CS..SBendtrans-154150.1-162.3-55.10000108.8N266 D316N266-C310 PolarHBondContact OD1-N 3.14Å; C310-D316 HydrophobicContact CB-CB 3.67Å; C310-D316 WeakPolarHBondContact CB-OD2 3.47Å
311L65.6Low78.1Confident143 Ų14359 Ų5975%0.74931%0.309SS*.SBendtrans-76.8-22.3177.9-64.4169.5000112.5N266N266-L311 HydrophobicContact CB-CD2 4.03Å; N266-L311 HydrophobicContact CB-CG 4Å
312R64.7Low78Confident165 Ų16558.2 Ų58.262%0.62330%0.304SS*.  trans-133.587.9178.6-72.4-171.9-175.7165.81.8111.8D314 V315 D316R312-D314 VanDerWaalsContact CA-OD1 3.31Å; R312-D314 WeakPolarHBondContact CA-OD1 3.26Å; R312-D314 WeakPolarHBondContact CB-OD1 3.16Å; R312-D314 PolarHBondContact O-N 3.06Å; R312-D314 VanDerWaalsContact O-N 3.08Å; R312-V315 HydrophobicContact CB-CB 4.41Å; R312-V315 PolarHBondContact O-N 3.09Å; R312-V315 VanDerWaalsContact O-N 3.12Å; R312-D316 PolarHBondContact N-OD2 2.91Å; R312-D316 WeakPolarHBondContact O-CB 3.47Å; R312-D316 PolarHBondContact O-N 3.09Å
313P62.2Low78Confident46 Ų4656.8 Ų56.830%0.29929%0.294SS..THydrogen-bonded Turntrans-66.3-10.6-178.231-37.2000113.8H318 I407P313-H318 PolarHBondContact O-CE1 3.3Å; P313-H318 VanDerWaalsContact O-CE1 3.29Å; P313-I407 HydrophobicContact CB-CG2 4.19Å; P313-I407 HydrophobicContact CG-CD1 3.97Å; P313-I407 HydrophobicContact CG-CG1 4.36Å; P313-I407 HydrophobicContact CG-CG2 3.98Å
314D60.7Low78.2Confident107 Ų10759.6 Ų59.657%0.57231%0.307SS*.THydrogen-bonded Turntrans-82.4-22.5175.555.2-54.8000114.2R312R312-D314 VanDerWaalsContact CA-OD1 3.31Å; R312-D314 WeakPolarHBondContact CA-OD1 3.26Å; R312-D314 WeakPolarHBondContact CB-OD1 3.16Å; R312-D314 PolarHBondContact O-N 3.06Å; R312-D314 VanDerWaalsContact O-N 3.08Å
315V62.5Low78.4Confident97 Ų9759.6 Ų59.659%0.58831%0.307SS*.THydrogen-bonded Turntrans-117.6-34.9-179.6-1760000112.1R312R312-V315 HydrophobicContact CB-CB 4.41Å; R312-V315 PolarHBondContact O-N 3.09Å; R312-V315 VanDerWaalsContact O-N 3.12Å
316D72.4Confident78.6Confident57 Ų5758 Ų5831%0.30530%0.297SS..SBendtrans-81.5128.7-172.4-67.4-44.3000112.4L268 C310 R312 H318L268-D316 HydrophobicContact CD2-CB 4.02Å; C310-D316 HydrophobicContact CB-CB 3.67Å; C310-D316 WeakPolarHBondContact CB-OD2 3.47Å; R312-D316 PolarHBondContact N-OD2 2.91Å; R312-D316 WeakPolarHBondContact O-CB 3.47Å; R312-D316 PolarHBondContact O-N 3.09Å; D316-H318 PolarHBondContact O-N 3.1Å; D316-H318 PolarHBondContact O-ND1 2.99Å
317N79.3Confident79Confident121 Ų12162 Ų6265%0.64731%0.31SS*.  trans-72.644-176.7-83-63.5000114.7W319 A320N317-W319 PolarHBondContact O-N 3.5Å; N317-A320 PolarHBondContact O-N 2.9Å; N317-A320 VanDerWaalsContact O-N 3.09Å
318H82.9Confident79.7Confident6 Ų656 Ų563%0.02828%0.283CS..Hα-helixtrans-60.2-25.8-179.268.5-79.8000114.1L268 L309 P313 D316 A320 L321 R322L268-H318 HydrophobicContact CD1-CB 4.48Å; L309-H318 HydrophobicContact CB-CB 4.47Å; L309-H318 HydrophobicContact CD1-CB 4.45Å; P313-H318 PolarHBondContact O-CE1 3.3Å; P313-H318 VanDerWaalsContact O-CE1 3.29Å; D316-H318 PolarHBondContact O-N 3.1Å; D316-H318 PolarHBondContact O-ND1 2.99Å; H318-A320 VanDerWaalsContact C-N 3.34Å; H318-A320 PolarHBondContact O-N 3.41Å; H318-L321 PolarHBondContact O-N 2.77Å; H318-R322 PolarHBondContact O-N 3.43Å
319W86.6Confident80.5Confident31 Ų3149.8 Ų49.812%0.11726%0.255CS..Hα-helixtrans-55.6-47.8171.3-54.3114.7000111.4N317 L321 R322 D323 T363 Y366 H414N317-W319 PolarHBondContact O-N 3.5Å; W319-L321 VanDerWaalsContact C-N 3.3Å; W319-L321 PolarHBondContact O-N 3.01Å; W319-R322 PolarHBondContact O-N 3.3Å; W319-R322 VanDerWaalsContact O-N 3.14Å; W319-D323 WeakPolarHBondContact O-CB 3.44Å; W319-D323 PolarHBondContact O-N 2.88Å; W319-T363 HydrophobicContact CH2-CG2 4.18Å; W319-Y366 AromaticContact CE3-CD1 3.65Å; W319-Y366 HydrophobicContact CE3-CD1 3.65Å; W319-Y366 AromaticContact CE3-CD2 3.9Å; W319-Y366 HydrophobicContact CE3-CD2 3.9Å; W319-Y366 AromaticContact CE3-CE1 3.88Å; W319-Y366 HydrophobicContact CE3-CE1 3.88Å; W319-Y366 HydrophobicContact CE3-CE2 4.12Å; W319-Y366 AromaticContact CE3-CG 3.66Å; W319-Y366 HydrophobicContact CE3-CG 3.66Å; W319-Y366 AromaticContact CZ3-CD1 3.99Å; W319-Y366 HydrophobicContact CZ3-CD1 3.99Å; W319-Y366 AromaticContact CZ3-CD2 3.89Å; W319-Y366 HydrophobicContact CZ3-CD2 3.89Å; W319-Y366 AromaticContact CZ3-CG 3.58Å; W319-Y366 HydrophobicContact CZ3-CG 3.58Å; W319-H414 AromaticContact CD1-CD2 3.96Å; W319-H414 AromaticContact CD1-NE2 3.87Å; W319-H414 AromaticContact CD2-CD2 4Å; W319-H414 AromaticContact CE2-CD2 3.42Å; W319-H414 VanDerWaalsContact CE2-CD2 3.42Å; W319-H414 AromaticContact CZ2-CD2 3.72Å; W319-H414 AromaticContact NE1-CD2 3.39Å; W319-H414 PolarHBondContact NE1-CD2 2.95Å; W319-H414 AromaticContact NE1-NE2 3.54Å
320A88.6Confident81.4Confident57 Ų5749.7 Ų49.747%0.47125%0.254SS..Hα-helixtrans-64.7-31.5-177.900000113N317 H318 F324N317-A320 PolarHBondContact O-N 2.9Å; N317-A320 VanDerWaalsContact O-N 3.09Å; H318-A320 VanDerWaalsContact C-N 3.34Å; H318-A320 PolarHBondContact O-N 3.41Å; A320-F324 WeakPolarHBondContact O-CB 3.49Å; A320-F324 PolarHBondContact O-N 3.21Å
321L89.8Confident82.4Confident3 Ų351.7 Ų51.72%0.01626%0.263CS..Hα-helixtrans-67.2-45.7172.5174.560.9000111.5L268 L271 I272 M275 L309 H318 W319 D323 F324 A325L268-L321 HydrophobicContact CD1-CB 3.92Å; L268-L321 HydrophobicContact CD1-CD2 3.58Å; L268-L321 HydrophobicContact CD1-CG 4.38Å; L271-L321 HydrophobicContact CB-CD2 3.69Å; L271-L321 HydrophobicContact CD1-CD2 4.34Å; I272-L321 HydrophobicContact CG1-CB 4.29Å; I272-L321 HydrophobicContact CG1-CD1 4Å; M275-L321 HydrophobicContact CB-CD1 4.29Å; M275-L321 HydrophobicContact CG-CD1 3.77Å; L309-L321 HydrophobicContact CD1-CD2 4.32Å; L309-L321 HydrophobicContact CD2-CD2 4.45Å; H318-L321 PolarHBondContact O-N 2.77Å; W319-L321 VanDerWaalsContact C-N 3.3Å; W319-L321 PolarHBondContact O-N 3.01Å; L321-D323 VanDerWaalsContact C-N 3.28Å; L321-D323 PolarHBondContact O-N 3.31Å; L321-F324 PolarHBondContact O-N 3.23Å; L321-A325 VanDerWaalsContact O-CB 3.31Å; L321-A325 WeakPolarHBondContact O-CB 3.43Å; L321-A325 PolarHBondContact O-N 2.77Å
322R90.6Very high83.4Confident1 Ų145.1 Ų45.10%0.00423%0.228CC..Hα-helixtrans-61.8-40.5176.6-65.9179.9-166.4-96.4-3.1111.2I304 S306 L309 H318 W319 A325 A326 T363 Y366I304-R322 PolarHBondContact O-NH1 3.35Å; S306-R322 VanDerWaalsContact O-CZ 3.26Å; S306-R322 PolarHBondContact O-NH1 3Å; S306-R322 PolarHBondContact O-NH2 3.36Å; L309-R322 HydrophobicContact CD1-CG 4.2Å; H318-R322 PolarHBondContact O-N 3.43Å; W319-R322 PolarHBondContact O-N 3.3Å; W319-R322 VanDerWaalsContact O-N 3.14Å; R322-A325 PolarHBondContact O-N 3.41Å; R322-A326 VanDerWaalsContact O-CB 3.26Å; R322-A326 WeakPolarHBondContact O-CB 3.48Å; R322-A326 PolarHBondContact O-N 2.88Å; R322-T363 PolarHBondContact NH1-O 3.41Å; R322-Y366 HydrophobicContact CB-CD1 4.36Å; R322-Y366 HydrophobicContact CB-CE1 4.39Å
323D90.9Very high84.5Confident31 Ų3137.5 Ų37.517%0.16620%0.201CC..Hα-helixtrans-63.7-43.1177.8-140.251.7000112W319 L321 R327W319-D323 WeakPolarHBondContact O-CB 3.44Å; W319-D323 PolarHBondContact O-N 2.88Å; L321-D323 VanDerWaalsContact C-N 3.28Å; L321-D323 PolarHBondContact O-N 3.31Å; D323-R327 VanDerWaalsContact CG-NH1 3.29Å; D323-R327 VanDerWaalsContact O-CZ 3.24Å; D323-R327 PolarHBondContact O-N 2.9Å; D323-R327 PolarHBondContact O-NH1 2.92Å; D323-R327 IonicContact OD1-NH1 2.63Å; D323-R327 IonicContact OD2-CZ 3.61Å; D323-R327 VanDerWaalsContact OD2-CZ 3.22Å; D323-R327 IonicContact OD2-NH1 2.61Å; D323-R327 PolarHBondContact OD2-NH1 2.88Å; D323-R327 IonicContact OD2-NH2 3.35Å; D323-R327 PolarHBondContact OD2-NH2 2.88Å
324F92.4Very high85.6Confident59 Ų5941.7 Ų41.726%0.25921%0.214SC..Hα-helixtrans-68.4-44.4174.6-176.7-97.5000112.2M275 R276 K279 A320 L321 A326 R327 L328M275-F324 HydrophobicContact CB-CD1 3.88Å; M275-F324 HydrophobicContact CB-CE1 3.8Å; R276-F324 HydrophobicContact CG-CZ 4.29Å; K279-F324 HydrophobicContact CB-CZ 4.16Å; K279-F324 HydrophobicContact CD-CE2 4.38Å; K279-F324 HydrophobicContact CD-CZ 4.09Å; A320-F324 WeakPolarHBondContact O-CB 3.49Å; A320-F324 PolarHBondContact O-N 3.21Å; L321-F324 PolarHBondContact O-N 3.23Å; F324-A326 VanDerWaalsContact C-N 3.34Å; F324-A326 PolarHBondContact O-N 2.85Å; F324-R327 PolarHBondContact O-N 2.96Å; F324-L328 VanDerWaalsContact O-CB 3.31Å; F324-L328 WeakPolarHBondContact O-CB 3.44Å; F324-L328 PolarHBondContact O-N 3.45Å
325A92.5Very high86.6Confident0 Ų040.5 Ų40.50%021%0.211CC..Hα-helixtrans-65-35.7177.200000112.3M275 V300 C303 I304 L321 R322 L328 M329M275-A325 HydrophobicContact SD-CB 4.42Å; V300-A325 HydrophobicContact CG1-CB 4.15Å; V300-A325 WeakPolarHBondContact CG1-O 3.5Å; C303-A325 HydrophobicContact CB-CB 4.14Å; I304-A325 HydrophobicContact CD1-CB 4.33Å; I304-A325 HydrophobicContact CG1-CB 3.63Å; L321-A325 VanDerWaalsContact O-CB 3.31Å; L321-A325 WeakPolarHBondContact O-CB 3.43Å; L321-A325 PolarHBondContact O-N 2.77Å; R322-A325 PolarHBondContact O-N 3.41Å; A325-L328 PolarHBondContact O-N 2.88Å; A325-M329 VanDerWaalsContact O-CB 3.23Å; A325-M329 WeakPolarHBondContact O-CB 3.37Å; A325-M329 PolarHBondContact O-N 2.87Å
326A92.4Very high87.5Confident1 Ų137 Ų371%0.00819%0.188CC..Hα-helixtrans-63.7-46.8173.400000112.1R322 F324 M329 A330 A370 E374R322-A326 VanDerWaalsContact O-CB 3.26Å; R322-A326 WeakPolarHBondContact O-CB 3.48Å; R322-A326 PolarHBondContact O-N 2.88Å; F324-A326 VanDerWaalsContact C-N 3.34Å; F324-A326 PolarHBondContact O-N 2.85Å; A326-M329 PolarHBondContact O-N 3.3Å; A326-A330 WeakPolarHBondContact O-CB 3.11Å; A326-A330 PolarHBondContact O-N 3.44Å; A326-A370 HydrophobicContact CB-CB 4.01Å; A326-E374 HydrophobicContact CB-CG 4.44Å
327R92.7Very high87.4Confident101 Ų10137.5 Ų37.538%0.38120%0.196SC..Hα-helixtrans-62.1-43.1174.1-78.3-176.2-74.2-834.3112.4D323 F324 A330 Q331 E374D323-R327 VanDerWaalsContact CG-NH1 3.29Å; D323-R327 VanDerWaalsContact O-CZ 3.24Å; D323-R327 PolarHBondContact O-N 2.9Å; D323-R327 PolarHBondContact O-NH1 2.92Å; D323-R327 IonicContact OD1-NH1 2.63Å; D323-R327 IonicContact OD2-CZ 3.61Å; D323-R327 VanDerWaalsContact OD2-CZ 3.22Å; D323-R327 IonicContact OD2-NH1 2.61Å; D323-R327 PolarHBondContact OD2-NH1 2.88Å; D323-R327 IonicContact OD2-NH2 3.35Å; D323-R327 PolarHBondContact OD2-NH2 2.88Å; F324-R327 PolarHBondContact O-N 2.96Å; R327-A330 PolarHBondContact O-N 2.65Å; R327-Q331 PolarHBondContact O-N 3.43Å; R327-E374 HydrophobicContact CG-CG 4Å
328L92.3Very high87.2Confident4 Ų434.8 Ų34.82%0.02118%0.184CC..Hα-helixtrans-60.5-49.9176.3179.664.3000111.4M275 V278 K279 M282 V300 F324 A325 A330 Q331 S332M275-L328 HydrophobicContact CB-CD2 4.45Å; M275-L328 HydrophobicContact SD-CD2 4.23Å; V278-L328 HydrophobicContact CB-CD2 3.96Å; V278-L328 HydrophobicContact CG1-CD1 4.32Å; V278-L328 HydrophobicContact CG1-CD2 3.82Å; V278-L328 HydrophobicContact CG1-CG 4.34Å; K279-L328 HydrophobicContact CB-CD1 3.84Å; K279-L328 HydrophobicContact CG-CD1 3.97Å; M282-L328 HydrophobicContact CE-CD1 3.71Å; M282-L328 HydrophobicContact SD-CD1 3.7Å; M282-L328 HydrophobicContact SD-CG 4.32Å; V300-L328 HydrophobicContact CG1-CD2 4.28Å; V300-L328 HydrophobicContact CG2-CD2 4.13Å; F324-L328 VanDerWaalsContact O-CB 3.31Å; F324-L328 WeakPolarHBondContact O-CB 3.44Å; F324-L328 PolarHBondContact O-N 3.45Å; A325-L328 PolarHBondContact O-N 2.88Å; L328-A330 VanDerWaalsContact C-N 3.28Å; L328-A330 PolarHBondContact O-N 2.83Å; L328-Q331 WeakPolarHBondContact O-CA 3.28Å; L328-Q331 WeakPolarHBondContact O-CB 3.4Å; L328-Q331 PolarHBondContact O-N 3Å; L328-Q331 VanDerWaalsContact O-N 3.07Å; L328-S332 PolarHBondContact O-N 2.83Å; L328-S332 PolarHBondContact O-OG 3.2Å
329M91.3Very high86Confident2 Ų241.2 Ų41.21%0.0122%0.223CC..Hα-helixtrans-58-39.7175.4174.7-77.9-61.500112.2V300 I304 A325 A326 S332 C333 I347 L351 G371 L375V300-M329 HydrophobicContact CG1-CB 4.01Å; I304-M329 HydrophobicContact CD1-CB 3.95Å; I304-M329 HydrophobicContact CD1-CE 4.44Å; I304-M329 HydrophobicContact CD1-CG 4.26Å; A325-M329 VanDerWaalsContact O-CB 3.23Å; A325-M329 WeakPolarHBondContact O-CB 3.37Å; A325-M329 PolarHBondContact O-N 2.87Å; A326-M329 PolarHBondContact O-N 3.3Å; M329-S332 WeakPolarHBondContact O-CB 3.04Å; M329-S332 PolarHBondContact O-N 3.29Å; M329-C333 PolarHBondContact O-N 2.82Å; M329-C333 PolarHBondContact O-SG 3.17Å; M329-I347 HydrophobicContact CG-CD1 3.98Å; M329-I347 HydrophobicContact CG-CG2 4.22Å; M329-I347 HydrophobicContact SD-CD1 4.1Å; M329-I347 HydrophobicContact SD-CG2 3.74Å; M329-L351 HydrophobicContact CE-CD1 4.15Å; M329-G371 VanDerWaalsContact CE-CA 3.49Å; M329-G371 WeakPolarHBondContact CE-O 3.49Å; M329-L375 HydrophobicContact CE-CD1 4.5Å; M329-L375 HydrophobicContact CE-CD2 4.47Å; M329-L375 HydrophobicContact CE-CG 4.17Å; M329-L375 HydrophobicContact SD-CD2 3.91Å; M329-L375 HydrophobicContact SD-CG 4.23Å
330A89.7Confident84.7Confident1 Ų145.7 Ų45.71%0.00826%0.255CS..Hα-helixtrans-70.8-31.8175.700000112.9A326 R327 L328 C333 K334 E374A326-A330 WeakPolarHBondContact O-CB 3.11Å; A326-A330 PolarHBondContact O-N 3.44Å; R327-A330 PolarHBondContact O-N 2.65Å; L328-A330 VanDerWaalsContact C-N 3.28Å; L328-A330 PolarHBondContact O-N 2.83Å; A330-C333 PolarHBondContact O-N 2.74Å; A330-K334 WeakPolarHBondContact O-CB 3.49Å; A330-K334 WeakPolarHBondContact O-CD 3.42Å; A330-K334 VanDerWaalsContact O-CG 3.24Å; A330-K334 WeakPolarHBondContact O-CG 3.39Å; A330-K334 PolarHBondContact O-N 2.76Å; A330-E374 HydrophobicContact CB-CB 3.58Å; A330-E374 WeakPolarHBondContact CB-O 3.44Å
331Q89.9Confident83.7Confident53 Ų5345.9 Ų45.925%0.24825%0.248CC..Hα-helixtrans-63.1-45.8167.6-176.6-178-16.800110M282 D283 R327 L328 C333 K334 T335M282-Q331 HydrophobicContact CE-CB 3.8Å; M282-Q331 HydrophobicContact CE-CG 3.7Å; D283-Q331 PolarHBondContact OD1-NE2 3.29Å; R327-Q331 PolarHBondContact O-N 3.43Å; L328-Q331 WeakPolarHBondContact O-CA 3.28Å; L328-Q331 WeakPolarHBondContact O-CB 3.4Å; L328-Q331 PolarHBondContact O-N 3Å; L328-Q331 VanDerWaalsContact O-N 3.07Å; Q331-C333 VanDerWaalsContact C-N 3.28Å; Q331-C333 PolarHBondContact O-N 3.19Å; Q331-K334 PolarHBondContact O-N 3.13Å; Q331-K334 VanDerWaalsContact O-N 3.12Å; Q331-T335 PolarHBondContact O-N 3.38Å; Q331-T335 PolarHBondContact O-OG1 2.92Å
332S87.9Confident83.3Confident4 Ų450.5 Ų50.53%0.02827%0.272CS..Hα-helixtrans-57.5-42.2175.5-39.20000111.5M282 L328 M329 F336M282-S332 VanDerWaalsContact CE-N 3.33Å; M282-S332 VanDerWaalsContact CE-OG 3.26Å; M282-S332 WeakPolarHBondContact CE-OG 3.08Å; M282-S332 PolarHBondContact SD-OG 3.21Å; L328-S332 PolarHBondContact O-N 2.83Å; L328-S332 PolarHBondContact O-OG 3.2Å; M329-S332 WeakPolarHBondContact O-CB 3.04Å; M329-S332 PolarHBondContact O-N 3.29Å; S332-F336 WeakPolarHBondContact O-CB 2.77Å; S332-F336 WeakPolarHBondContact O-CD2 3.33Å; S332-F336 PolarHBondContact O-N 2.97Å
333C86.3Confident83Confident6 Ų650.9 Ų50.94%0.04127%0.274CS..Hα-helixtrans-64.9-42.4176.6-66.50000112.2M329 A330 Q331 S337 L375M329-C333 PolarHBondContact O-N 2.82Å; M329-C333 PolarHBondContact O-SG 3.17Å; A330-C333 PolarHBondContact O-N 2.74Å; Q331-C333 VanDerWaalsContact C-N 3.28Å; Q331-C333 PolarHBondContact O-N 3.19Å; C333-S337 WeakPolarHBondContact O-CB 3.36Å; C333-S337 PolarHBondContact O-N 3.4Å; C333-S337 PolarHBondContact O-OG 2.91Å; C333-L375 HydrophobicContact CB-CD2 3.83Å; C333-L375 VanDerWaalsContact SG-CD2 3.55Å
334K85.4Confident82.7Confident134 Ų13453.5 Ų53.558%0.58329%0.286SS*.Hα-helixtrans-71.7-33.7-177.9-71.5159.9-168.81610112.9A330 Q331 E374A330-K334 WeakPolarHBondContact O-CB 3.49Å; A330-K334 WeakPolarHBondContact O-CD 3.42Å; A330-K334 VanDerWaalsContact O-CG 3.24Å; A330-K334 WeakPolarHBondContact O-CG 3.39Å; A330-K334 PolarHBondContact O-N 2.76Å; Q331-K334 PolarHBondContact O-N 3.13Å; Q331-K334 VanDerWaalsContact O-N 3.12Å; K334-E374 PolarHBondContact NZ-O 3.49Å
335T83.1Confident82.5Confident82 Ų8252.5 Ų52.550%0.50329%0.286SS..Hα-helixtrans-81.6-34.9179.5-52.30000112.9Q331Q331-T335 PolarHBondContact O-N 3.38Å; Q331-T335 PolarHBondContact O-OG1 2.92Å
336F80Confident82.3Confident23 Ų2359.8 Ų59.810%0.10131%0.313CS..Hα-helixtrans-121.220.4-167.6-50.6-68.3000114.6M282 L289 E290 L293 S332 T338 I343M282-F336 HydrophobicContact CG-CE2 4.42Å; L289-F336 HydrophobicContact CB-CE1 4.41Å; L289-F336 HydrophobicContact CB-CZ 4Å; E290-F336 HydrophobicContact CG-CD1 3.9Å; E290-F336 HydrophobicContact CG-CE1 4.46Å; L293-F336 HydrophobicContact CD1-CB 3.42Å; L293-F336 VanDerWaalsContact CD1-CB 3.42Å; L293-F336 HydrophobicContact CD1-CD1 4.15Å; L293-F336 HydrophobicContact CD1-CD2 3.65Å; L293-F336 HydrophobicContact CD1-CE2 4.43Å; L293-F336 HydrophobicContact CD1-CG 3.48Å; L293-F336 VanDerWaalsContact CD1-CG 3.48Å; L293-F336 HydrophobicContact CD2-CD2 3.85Å; L293-F336 HydrophobicContact CD2-CE2 4Å; L293-F336 HydrophobicContact CD2-CG 4.5Å; L293-F336 HydrophobicContact CG-CD2 4.38Å; S332-F336 WeakPolarHBondContact O-CB 2.77Å; S332-F336 WeakPolarHBondContact O-CD2 3.33Å; S332-F336 PolarHBondContact O-N 2.97Å; F336-T338 PolarHBondContact O-N 3.42Å; F336-I343 HydrophobicContact CB-CD1 4.12Å
337S71.8Confident82.2Confident68 Ų6859.9 Ų59.948%0.47631%0.314SS..  trans-75.558.7175.858.10000113.7C333C333-S337 WeakPolarHBondContact O-CB 3.36Å; C333-S337 PolarHBondContact O-N 3.4Å; C333-S337 PolarHBondContact O-OG 2.91Å
338T74.1Confident81.9Confident63 Ų6356.2 Ų56.239%0.38730%0.302SS..  trans-77.8138.6170.2-51.90000109.8E290 F336 T340 N341 N342E290-T338 PolarHBondContact OE1-OG1 3.26Å; F336-T338 PolarHBondContact O-N 3.42Å; T338-T340 WeakPolarHBondContact CG2-OG1 3.41Å; T338-T340 PolarHBondContact O-N 3.46Å; T338-N341 PolarHBondContact O-N 3.02Å; T338-N342 PolarHBondContact O-N 2.86Å
339T58.2Low81.8Confident141 Ų14162.7 Ų62.787%0.86533%0.33SS*.THydrogen-bonded Turntrans-52-29.8-176.7-470000113.7
340T59.8Low81.7Confident126 Ų12665.7 Ų65.777%0.77335%0.349SS*.THydrogen-bonded Turntrans-72.8-31.9177.949.80000114.2T338T338-T340 WeakPolarHBondContact CG2-OG1 3.41Å; T338-T340 PolarHBondContact O-N 3.46Å
341N67.3Low81.7Confident61 Ų6165.6 Ų65.633%0.32635%0.348SS..THydrogen-bonded Turntrans-91.2-28.3-171.7-153.2-35.2000111.9T338 I343T338-N341 PolarHBondContact O-N 3.02Å; N341-I343 HydrophobicContact CB-CD1 4.27Å; N341-I343 HydrophobicContact CB-CG1 4.06Å; N341-I343 PolarHBondContact O-N 3.49Å; N341-I343 VanDerWaalsContact OD1-CG1 3.27Å; N341-I343 WeakPolarHBondContact OD1-CG1 3.27Å
342N81.1Confident81.6Confident100 Ų10064.2 Ų64.254%0.53534%0.343SS..  trans54.626.1171.3-153.3-7.5000114.8T338 Q344 S345 R346T338-N342 PolarHBondContact O-N 2.86Å; N342-Q344 VanDerWaalsContact C-N 3.31Å; N342-Q344 PolarHBondContact O-N 3.11Å; N342-S345 PolarHBondContact O-N 3Å; N342-S345 VanDerWaalsContact O-N 3.15Å; N342-S345 WeakPolarHBondContact OD1-CB 3.3Å; N342-R346 PolarHBondContact O-N 3.12Å
343I83.6Confident81.7Confident8 Ų871.8 Ų71.84%0.04138%0.376CS..Hα-helixtrans-52.3-48.4-176.2-66.2176.6000111.3L293 I297 F336 N341 S345 R346 I347L293-I343 HydrophobicContact CB-CD1 4.45Å; L293-I343 HydrophobicContact CD1-CD1 3.59Å; I297-I343 HydrophobicContact CD1-CD1 4.03Å; I297-I343 HydrophobicContact CD1-CG1 4.37Å; I297-I343 HydrophobicContact CD1-CG2 3.64Å; F336-I343 HydrophobicContact CB-CD1 4.12Å; N341-I343 HydrophobicContact CB-CD1 4.27Å; N341-I343 HydrophobicContact CB-CG1 4.06Å; N341-I343 PolarHBondContact O-N 3.49Å; N341-I343 VanDerWaalsContact OD1-CG1 3.27Å; N341-I343 WeakPolarHBondContact OD1-CG1 3.27Å; I343-S345 VanDerWaalsContact C-N 3.32Å; I343-S345 PolarHBondContact O-N 3.48Å; I343-R346 PolarHBondContact O-N 3.25Å; I343-R346 VanDerWaalsContact O-N 3.15Å; I343-I347 HydrophobicContact CG2-CD1 3.5Å; I343-I347 HydrophobicContact CG2-CG1 4.24Å; I343-I347 WeakPolarHBondContact O-CG1 3.32Å; I343-I347 PolarHBondContact O-N 3.24Å
344Q85.9Confident81.7Confident87 Ų8772.2 Ų72.241%0.40738%0.379SS..Hα-helixtrans-58.6-41.6-177.7-169.1-178.7900111.9N342 T348N342-Q344 VanDerWaalsContact C-N 3.31Å; N342-Q344 PolarHBondContact O-N 3.11Å; Q344-T348 WeakPolarHBondContact O-CB 3.39Å; Q344-T348 PolarHBondContact O-N 2.86Å; Q344-T348 PolarHBondContact O-OG1 2.91Å
345S87.4Confident81.6Confident37 Ų3766.1 Ų66.126%0.25935%0.352SS..Hα-helixtrans-67.9-43177-164.40000111.5N342 I343 T348 K349N342-S345 PolarHBondContact O-N 3Å; N342-S345 VanDerWaalsContact O-N 3.15Å; N342-S345 WeakPolarHBondContact OD1-CB 3.3Å; I343-S345 VanDerWaalsContact C-N 3.32Å; I343-S345 PolarHBondContact O-N 3.48Å; S345-T348 PolarHBondContact O-N 2.85Å; S345-K349 VanDerWaalsContact O-CB 3.28Å; S345-K349 WeakPolarHBondContact O-CB 3.37Å; S345-K349 WeakPolarHBondContact O-CD 3.48Å; S345-K349 VanDerWaalsContact O-CG 3.23Å; S345-K349 WeakPolarHBondContact O-CG 3.26Å; S345-K349 PolarHBondContact O-N 3.28Å; S345-K349 WeakPolarHBondContact OG-CE 3.48Å; S345-K349 PolarHBondContact OG-NZ 3.17Å
346R88.3Confident81.7Confident153 Ų15366.8 Ų66.858%0.57735%0.352SS*.Hα-helixtrans-60.7-47.8178.6-174.6178177-166.6-3111.6N342 I343 T350N342-R346 PolarHBondContact O-N 3.12Å; I343-R346 PolarHBondContact O-N 3.25Å; I343-R346 VanDerWaalsContact O-N 3.15Å; R346-T350 WeakPolarHBondContact O-CB 3.31Å; R346-T350 PolarHBondContact O-N 3.34Å; R346-T350 VanDerWaalsContact O-N 3.1Å; R346-T350 PolarHBondContact O-OG1 3.37Å
347I89.3Confident81.9Confident4 Ų469.5 Ų69.52%0.02137%0.368CS..Hα-helixtrans-68.1-48.5178.5-63.5171.6000110.6I297 M329 I343 K349 T350 L351I297-I347 HydrophobicContact CD1-CD1 4.44Å; I297-I347 HydrophobicContact CG2-CD1 3.65Å; I297-I347 HydrophobicContact CG2-CG1 3.84Å; M329-I347 HydrophobicContact CG-CD1 3.98Å; M329-I347 HydrophobicContact CG-CG2 4.22Å; M329-I347 HydrophobicContact SD-CD1 4.1Å; M329-I347 HydrophobicContact SD-CG2 3.74Å; I343-I347 HydrophobicContact CG2-CD1 3.5Å; I343-I347 HydrophobicContact CG2-CG1 4.24Å; I343-I347 WeakPolarHBondContact O-CG1 3.32Å; I343-I347 PolarHBondContact O-N 3.24Å; I347-K349 VanDerWaalsContact C-N 3.31Å; I347-K349 PolarHBondContact O-N 3.43Å; I347-T350 CarbonylContact O-C 3.56Å; I347-T350 WeakPolarHBondContact O-CA 3.31Å; I347-T350 WeakPolarHBondContact O-CB 3.47Å; I347-T350 PolarHBondContact O-N 2.83Å; I347-L351 HydrophobicContact CG2-CD1 3.86Å; I347-L351 HydrophobicContact CG2-CG 4.03Å; I347-L351 PolarHBondContact O-N 3.44Å
348T88.3Confident81.9Confident23 Ų2371.8 Ų71.814%0.14138%0.375CS..Hα-helixtrans-58.4-43.1-178.9-57.80000111.4Q344 S345 T350 T352 L372 V379 L383Q344-T348 WeakPolarHBondContact O-CB 3.39Å; Q344-T348 PolarHBondContact O-N 2.86Å; Q344-T348 PolarHBondContact O-OG1 2.91Å; S345-T348 PolarHBondContact O-N 2.85Å; T348-T350 VanDerWaalsContact C-N 3.34Å; T348-T350 PolarHBondContact O-N 3.24Å; T348-T352 WeakPolarHBondContact O-CB 3.48Å; T348-T352 PolarHBondContact O-N 2.93Å; T348-T352 PolarHBondContact O-OG1 3.29Å; T348-L372 HydrophobicContact CG2-CD2 4.13Å; T348-V379 HydrophobicContact CG2-CG1 4.46Å; T348-L383 HydrophobicContact CG2-CD1 3.33Å
349K89.2Confident82Confident141 Ų14177.8 Ų77.861%0.61340%0.396SS*.Hα-helixtrans-61.6-39.6172.8-75.2166.5176.71590112.4S345 I347 K353S345-K349 VanDerWaalsContact O-CB 3.28Å; S345-K349 WeakPolarHBondContact O-CB 3.37Å; S345-K349 WeakPolarHBondContact O-CD 3.48Å; S345-K349 VanDerWaalsContact O-CG 3.23Å; S345-K349 WeakPolarHBondContact O-CG 3.26Å; S345-K349 PolarHBondContact O-N 3.28Å; S345-K349 WeakPolarHBondContact OG-CE 3.48Å; S345-K349 PolarHBondContact OG-NZ 3.17Å; I347-K349 VanDerWaalsContact C-N 3.31Å; I347-K349 PolarHBondContact O-N 3.43Å; K349-K353 VanDerWaalsContact O-CB 3.31Å; K349-K353 WeakPolarHBondContact O-CB 3.32Å; K349-K353 PolarHBondContact O-N 3.13Å
350T89.9Confident82.9Confident64 Ų6471.9 Ų71.939%0.39336%0.359SS..Hα-helixtrans-67.4-48.7179.8-56.90000111.8V301 R346 I347 T348 K353 S354V301-T350 HydrophobicContact CG1-CG2 4.17Å; R346-T350 WeakPolarHBondContact O-CB 3.31Å; R346-T350 PolarHBondContact O-N 3.34Å; R346-T350 VanDerWaalsContact O-N 3.1Å; R346-T350 PolarHBondContact O-OG1 3.37Å; I347-T350 CarbonylContact O-C 3.56Å; I347-T350 WeakPolarHBondContact O-CA 3.31Å; I347-T350 WeakPolarHBondContact O-CB 3.47Å; I347-T350 PolarHBondContact O-N 2.83Å; T348-T350 VanDerWaalsContact C-N 3.34Å; T348-T350 PolarHBondContact O-N 3.24Å; T350-K353 PolarHBondContact O-N 2.85Å; T350-S354 WeakPolarHBondContact O-CB 3.47Å; T350-S354 PolarHBondContact O-N 3.44Å
351L88.9Confident84Confident0 Ų069.5 Ų69.50%034%0.339CS..Hα-helixtrans-67.3-36.2176.8-59.9-178.1000112.1I304 V305 M329 I347 S354 L355 L372I304-L351 HydrophobicContact CG2-CD2 4.36Å; V305-L351 HydrophobicContact CG2-CD2 3.78Å; M329-L351 HydrophobicContact CE-CD1 4.15Å; I347-L351 HydrophobicContact CG2-CD1 3.86Å; I347-L351 HydrophobicContact CG2-CG 4.03Å; I347-L351 PolarHBondContact O-N 3.44Å; L351-S354 WeakPolarHBondContact O-CB 3.24Å; L351-S354 PolarHBondContact O-N 2.86Å; L351-L355 WeakPolarHBondContact O-CB 3.48Å; L351-L355 PolarHBondContact O-N 2.89Å; L351-L372 HydrophobicContact CB-CD1 4.34Å; L351-L372 HydrophobicContact CB-CD2 4.02Å; L351-L372 HydrophobicContact CB-CG 3.93Å; L351-L372 HydrophobicContact CD1-CD2 4.38Å; L351-L372 HydrophobicContact CD1-CG 4.24Å
352T88.4Confident84.8Confident23 Ų2367.9 Ų67.914%0.14133%0.329CS..Hα-helixtrans-68.2-37.9175-550000111.8T348 L355 L356T348-T352 WeakPolarHBondContact O-CB 3.48Å; T348-T352 PolarHBondContact O-N 2.93Å; T348-T352 PolarHBondContact O-OG1 3.29Å; T352-L355 PolarHBondContact O-N 3.37Å; T352-L356 HydrophobicContact CG2-CD1 4.49Å; T352-L356 WeakPolarHBondContact O-CB 3.29Å; T352-L356 WeakPolarHBondContact O-CG 3.47Å; T352-L356 PolarHBondContact O-N 2.85Å
353K88.8Confident85Confident164 Ų16464 Ų6471%0.71331%0.309SS*.Hα-helixtrans-65.4-39.5172.5-175.9177.3177.6-179.20111.6K349 T350 L356 D357K349-K353 VanDerWaalsContact O-CB 3.31Å; K349-K353 WeakPolarHBondContact O-CB 3.32Å; K349-K353 PolarHBondContact O-N 3.13Å; T350-K353 PolarHBondContact O-N 2.85Å; K353-L356 WeakPolarHBondContact O-CB 3.36Å; K353-L356 PolarHBondContact O-N 3.34Å; K353-D357 PolarHBondContact O-N 3.47Å
354S86.4Confident85.2Confident15 Ų1563.9 Ų63.911%0.10531%0.308CS..Hα-helixtrans-61.4-45.6173.6179.10000111.9T350 L351 L356 D357 T364 S368T350-S354 WeakPolarHBondContact O-CB 3.47Å; T350-S354 PolarHBondContact O-N 3.44Å; L351-S354 WeakPolarHBondContact O-CB 3.24Å; L351-S354 PolarHBondContact O-N 2.86Å; S354-L356 VanDerWaalsContact C-N 3.32Å; S354-L356 PolarHBondContact O-N 3.18Å; S354-D357 PolarHBondContact O-N 2.71Å; S354-T364 VanDerWaalsContact OG-CG2 3.26Å; S354-T364 WeakPolarHBondContact OG-CG2 3.26Å; S354-S368 WeakPolarHBondContact CB-OG 3.34Å; S354-S368 PolarHBondContact OG-OG 3.46Å
355L84.3Confident85.2Confident5 Ų559.8 Ų59.83%0.02629%0.289CS..Hα-helixtrans-69.9-26176.9-172.560.9000113.5L351 T352 R365 I369 L372L351-L355 WeakPolarHBondContact O-CB 3.48Å; L351-L355 PolarHBondContact O-N 2.89Å; T352-L355 PolarHBondContact O-N 3.37Å; L355-R365 PolarHBondContact O-NH2 3.03Å; L355-R365 VanDerWaalsContact O-NH2 3.13Å; L355-I369 HydrophobicContact CD1-CD1 4.21Å; L355-I369 HydrophobicContact CD1-CG1 4.02Å; L355-I369 HydrophobicContact CD2-CG1 4.45Å; L355-L372 HydrophobicContact CD2-CD1 4.09Å
356L84.9Confident85.3Confident96 Ų9659.1 Ų59.150%0.50328%0.281SS..Hα-helixtrans-70.8-29.5176.4-95.1169.2000114.4T352 K353 S354 D358 R387T352-L356 HydrophobicContact CG2-CD1 4.49Å; T352-L356 WeakPolarHBondContact O-CB 3.29Å; T352-L356 WeakPolarHBondContact O-CG 3.47Å; T352-L356 PolarHBondContact O-N 2.85Å; K353-L356 WeakPolarHBondContact O-CB 3.36Å; K353-L356 PolarHBondContact O-N 3.34Å; S354-L356 VanDerWaalsContact C-N 3.32Å; S354-L356 PolarHBondContact O-N 3.18Å; L356-D358 PolarHBondContact O-N 2.84Å; L356-R387 VanDerWaalsContact CD2-NH2 3.26Å
357D84.8Confident85.3Confident81 Ų8151.8 Ų51.843%0.43325%0.254SS..  trans-75.9113.9-174.5177.23.5000110.6K353 S354 K359 T360 R365K353-D357 PolarHBondContact O-N 3.47Å; S354-D357 PolarHBondContact O-N 2.71Å; D357-K359 PolarHBondContact O-N 2.78Å; D357-K359 PolarHBondContact OD1-N 3.3Å; D357-T360 HydrophobicContact CB-CG2 3.8Å; D357-T360 PolarHBondContact O-N 2.91Å; D357-T360 PolarHBondContact O-OG1 2.79Å; D357-R365 PolarHBondContact O-NH2 2.67Å
358D70.3Confident85.4Confident115 Ų11551.6 Ų51.662%0.61525%0.253SS*.THydrogen-bonded Turntrans-61.7-23-179.1-74.5-50.7000114L356 T360 R394L356-D358 PolarHBondContact O-N 2.84Å; D358-T360 VanDerWaalsContact C-N 3.32Å; D358-T360 PolarHBondContact O-N 2.78Å; D358-R394 PolarHBondContact O-NH2 3.48Å; D358-R394 IonicContact OD1-CZ 3.62Å; D358-R394 IonicContact OD1-NH1 3.67Å; D358-R394 PolarHBondContact OD1-NH1 2.93Å
359K76.1Confident85.4Confident189 Ų18950.7 Ų50.782%0.82225%0.247SC*.THydrogen-bonded Turntrans-90.511.9-177.7-60.3-177.5179.2-179.20113.5D357D357-K359 PolarHBondContact O-N 2.78Å; D357-K359 PolarHBondContact OD1-N 3.3Å
360T78.7Confident85.5Confident17 Ų1744.1 Ų44.110%0.10422%0.218CC..  trans-81.6140.117948.50000113.4D357 D358 T364 R365D357-T360 HydrophobicContact CB-CG2 3.8Å; D357-T360 PolarHBondContact O-N 2.91Å; D357-T360 PolarHBondContact O-OG1 2.79Å; D358-T360 VanDerWaalsContact C-N 3.32Å; D358-T360 PolarHBondContact O-N 2.78Å; T360-T364 HydrophobicContact CG2-CG2 3.98Å; T360-R365 PolarHBondContact OG1-NE 3Å; T360-R365 PolarHBondContact OG1-NH2 2.99Å
361Q82.7Confident85.5Confident76 Ų7641 Ų4136%0.35520%0.2SC..  trans-69.6154.6174.1-70.9167.3-63.700111.6T363 T364 R365Q361-T363 PolarHBondContact O-N 3.21Å; Q361-T363 VanDerWaalsContact O-N 3.16Å; Q361-T364 WeakPolarHBondContact O-CB 3.42Å; Q361-T364 PolarHBondContact O-N 3.45Å; Q361-T364 VanDerWaalsContact O-N 3.07Å; Q361-R365 PolarHBondContact O-N 3.06Å
362W83.1Confident85.5Confident28 Ų2841 Ų4111%0.10620%0.2CC..Hα-helixtrans-56-32.1179.1-65.6104.4000113.6R365 Y366 R394 I395 V398 A412 V415W362-R365 PolarHBondContact O-N 3.05Å; W362-Y366 WeakPolarHBondContact O-CB 3.26Å; W362-Y366 PolarHBondContact O-N 2.92Å; W362-R394 HydrophobicContact CH2-CB 4.03Å; W362-I395 HydrophobicContact CH2-CG1 4.46Å; W362-I395 HydrophobicContact CZ3-CG1 4.21Å; W362-V398 HydrophobicContact CH2-CG2 4.47Å; W362-V398 HydrophobicContact CZ2-CB 4.35Å; W362-V398 HydrophobicContact CZ2-CG2 3.56Å; W362-A412 HydrophobicContact CD2-CB 4.47Å; W362-A412 HydrophobicContact CE3-CB 4.43Å; W362-V415 HydrophobicContact CE3-CG2 4.35Å
363T85.8Confident85.5Confident18 Ų1840.3 Ų40.311%0.1120%0.196CC..Hα-helixtrans-61.6-47.7174.754.80000112.6K307 W319 R322 Q361 G367K307-T363 PolarHBondContact O-OG1 3.33Å; W319-T363 HydrophobicContact CH2-CG2 4.18Å; R322-T363 PolarHBondContact NH1-O 3.41Å; Q361-T363 PolarHBondContact O-N 3.21Å; Q361-T363 VanDerWaalsContact O-N 3.16Å; T363-G367 PolarHBondContact O-N 3.01Å; T363-G367 VanDerWaalsContact O-N 3.13Å
364T87.3Confident85.5Confident5 Ų534.8 Ų34.83%0.03117%0.173CC..Hα-helixtrans-64.7-39.8174-62.80000111.7V305 S354 T360 Q361 S368V305-T364 HydrophobicContact CG1-CG2 4.04Å; V305-T364 WeakPolarHBondContact O-CB 3.42Å; V305-T364 WeakPolarHBondContact O-CG2 3.47Å; V305-T364 PolarHBondContact O-OG1 3.39Å; S354-T364 VanDerWaalsContact OG-CG2 3.26Å; S354-T364 WeakPolarHBondContact OG-CG2 3.26Å; T360-T364 HydrophobicContact CG2-CG2 3.98Å; Q361-T364 WeakPolarHBondContact O-CB 3.42Å; Q361-T364 PolarHBondContact O-N 3.45Å; Q361-T364 VanDerWaalsContact O-N 3.07Å; T364-S368 WeakPolarHBondContact O-CB 3.32Å; T364-S368 PolarHBondContact O-N 2.86Å; T364-S368 PolarHBondContact O-OG 3.08Å
365R87.2Confident85.5Confident2 Ų234.9 Ų34.91%0.00817%0.172CC..Hα-helixtrans-64.1-48177-71.1-177.8163.5-87.7-24111.7L355 D357 T360 Q361 W362 G367 S368 I369 E391L355-R365 PolarHBondContact O-NH2 3.03Å; L355-R365 VanDerWaalsContact O-NH2 3.13Å; D357-R365 PolarHBondContact O-NH2 2.67Å; T360-R365 PolarHBondContact OG1-NE 3Å; T360-R365 PolarHBondContact OG1-NH2 2.99Å; Q361-R365 PolarHBondContact O-N 3.06Å; W362-R365 PolarHBondContact O-N 3.05Å; R365-G367 PolarHBondContact O-N 3.33Å; R365-S368 PolarHBondContact O-N 3.39Å; R365-I369 WeakPolarHBondContact O-CG1 3.34Å; R365-I369 PolarHBondContact O-N 3.23Å; R365-E391 IonicContact CZ-OE1 3.93Å; R365-E391 IonicContact CZ-OE2 3.96Å; R365-E391 IonicContact NH1-OE1 3.85Å; R365-E391 PolarHBondContact NH1-OE1 3.42Å; R365-E391 IonicContact NH1-OE2 2.71Å; R365-E391 PolarHBondContact NH1-OE2 2.94Å
366Y88.7Confident85.5Confident22 Ų2235.9 Ų35.99%0.08618%0.184CC..Hα-helixtrans-53.9-52.8174.1-178.5-87000112W319 R322 W362 S368 I369 A370 H414 V415 L418W319-Y366 AromaticContact CE3-CD1 3.65Å; W319-Y366 HydrophobicContact CE3-CD1 3.65Å; W319-Y366 AromaticContact CE3-CD2 3.9Å; W319-Y366 HydrophobicContact CE3-CD2 3.9Å; W319-Y366 AromaticContact CE3-CE1 3.88Å; W319-Y366 HydrophobicContact CE3-CE1 3.88Å; W319-Y366 HydrophobicContact CE3-CE2 4.12Å; W319-Y366 AromaticContact CE3-CG 3.66Å; W319-Y366 HydrophobicContact CE3-CG 3.66Å; W319-Y366 AromaticContact CZ3-CD1 3.99Å; W319-Y366 HydrophobicContact CZ3-CD1 3.99Å; W319-Y366 AromaticContact CZ3-CD2 3.89Å; W319-Y366 HydrophobicContact CZ3-CD2 3.89Å; W319-Y366 AromaticContact CZ3-CG 3.58Å; W319-Y366 HydrophobicContact CZ3-CG 3.58Å; R322-Y366 HydrophobicContact CB-CD1 4.36Å; R322-Y366 HydrophobicContact CB-CE1 4.39Å; W362-Y366 WeakPolarHBondContact O-CB 3.26Å; W362-Y366 PolarHBondContact O-N 2.92Å; Y366-S368 VanDerWaalsContact C-N 3.31Å; Y366-S368 PolarHBondContact O-N 3.47Å; Y366-I369 PolarHBondContact O-N 3.38Å; Y366-A370 WeakPolarHBondContact O-CB 3.34Å; Y366-A370 PolarHBondContact O-N 3.4Å; Y366-H414 HydrophobicContact CD2-CB 4.12Å; Y366-H414 HydrophobicContact CE2-CB 3.97Å; Y366-V415 HydrophobicContact CD2-CG2 4.02Å; Y366-V415 HydrophobicContact CG-CG2 4.38Å; Y366-L418 HydrophobicContact CD2-CB 4.47Å; Y366-L418 HydrophobicContact CD2-CD2 3.88Å; Y366-L418 HydrophobicContact CE2-CB 4.07Å; Y366-L418 HydrophobicContact CE2-CD2 3.82Å; Y366-L418 HydrophobicContact CE2-CG 4.37Å; Y366-L418 HydrophobicContact CG-CD2 4.3Å
367G89.3Confident85.4Confident0 Ų033.3 Ų33.30%018%0.176CC..Hα-helixtrans-60.4-40.417900000112.6I304 T363 R365 I369 A370 G371I304-G367 WeakPolarHBondContact CG2-O 3.47Å; T363-G367 PolarHBondContact O-N 3.01Å; T363-G367 VanDerWaalsContact O-N 3.13Å; R365-G367 PolarHBondContact O-N 3.33Å; G367-I369 PolarHBondContact O-N 2.94Å; G367-A370 PolarHBondContact O-N 2.85Å; G367-G371 PolarHBondContact O-N 2.8Å
368S90.1Very high85.3Confident0 Ų034.9 Ų34.90%019%0.185CC..Hα-helixtrans-63-42.3176.9-53.80000112S354 T364 R365 Y366 L372S354-S368 WeakPolarHBondContact CB-OG 3.34Å; S354-S368 PolarHBondContact OG-OG 3.46Å; T364-S368 WeakPolarHBondContact O-CB 3.32Å; T364-S368 PolarHBondContact O-N 2.86Å; T364-S368 PolarHBondContact O-OG 3.08Å; R365-S368 PolarHBondContact O-N 3.39Å; Y366-S368 VanDerWaalsContact C-N 3.31Å; Y366-S368 PolarHBondContact O-N 3.47Å; S368-L372 WeakPolarHBondContact O-CB 3.24Å; S368-L372 VanDerWaalsContact O-CG 3.25Å; S368-L372 WeakPolarHBondContact O-CG 3.31Å; S368-L372 PolarHBondContact O-N 3.49Å
369I89.3Confident86Confident4 Ų430.2 Ų30.22%0.02116%0.16CC..Hα-helixtrans-69.2-44.4177.2-67.4162.9000110.9L355 R365 Y366 G367 G371 L372 A373 V415 L418 L419L355-I369 HydrophobicContact CD1-CD1 4.21Å; L355-I369 HydrophobicContact CD1-CG1 4.02Å; L355-I369 HydrophobicContact CD2-CG1 4.45Å; R365-I369 WeakPolarHBondContact O-CG1 3.34Å; R365-I369 PolarHBondContact O-N 3.23Å; Y366-I369 PolarHBondContact O-N 3.38Å; G367-I369 PolarHBondContact O-N 2.94Å; I369-G371 PolarHBondContact O-N 3.34Å; I369-L372 PolarHBondContact O-N 2.95Å; I369-A373 VanDerWaalsContact O-CB 3.27Å; I369-A373 WeakPolarHBondContact O-CB 3.41Å; I369-A373 PolarHBondContact O-N 3.37Å; I369-V415 HydrophobicContact CD1-CG1 3.78Å; I369-L418 HydrophobicContact CB-CD2 4.1Å; I369-L418 HydrophobicContact CG2-CD2 3.71Å; I369-L418 HydrophobicContact CG2-CG 4.25Å; I369-L419 HydrophobicContact CD1-CD1 4.29Å; I369-L419 HydrophobicContact CD1-CD2 4.13Å; I369-L419 HydrophobicContact CD1-CG 4.24Å; I369-L419 HydrophobicContact CG1-CD2 4.46Å; I369-L419 HydrophobicContact CG2-CD2 3.68Å; I369-L419 HydrophobicContact CG2-CG 4.2Å
370A90Very high86.4Confident2 Ų221.5 Ų21.52%0.01712%0.122CC..Hα-helixtrans-60.5-45.9177.900000111.6A326 Y366 G367 A373 E374 L418A326-A370 HydrophobicContact CB-CB 4.01Å; Y366-A370 WeakPolarHBondContact O-CB 3.34Å; Y366-A370 PolarHBondContact O-N 3.4Å; G367-A370 PolarHBondContact O-N 2.85Å; A370-A373 PolarHBondContact O-N 3.47Å; A370-E374 PolarHBondContact O-N 2.82Å; A370-E374 VanDerWaalsContact O-N 3.08Å; A370-L418 HydrophobicContact CB-CD2 3.93Å
371G90Very high86.6Confident0 Ų025.3 Ų25.30%014%0.138CC..Hα-helixtrans-61.1-47.3175.100000112.7M329 G367 I369 A373 E374 L375M329-G371 VanDerWaalsContact CE-CA 3.49Å; M329-G371 WeakPolarHBondContact CE-O 3.49Å; G367-G371 PolarHBondContact O-N 2.8Å; I369-G371 PolarHBondContact O-N 3.34Å; G371-A373 PolarHBondContact O-N 2.95Å; G371-E374 PolarHBondContact O-N 2.92Å; G371-L375 WeakPolarHBondContact O-CG 3.39Å; G371-L375 PolarHBondContact O-N 3.39Å
372L89.2Confident86.8Confident0 Ų026.1 Ų26.10%015%0.148CC..Hα-helixtrans-64-28.7176.4-71.4170.9000112.9T348 L351 L355 S368 I369 L375 V379 L383 I384T348-L372 HydrophobicContact CG2-CD2 4.13Å; L351-L372 HydrophobicContact CB-CD1 4.34Å; L351-L372 HydrophobicContact CB-CD2 4.02Å; L351-L372 HydrophobicContact CB-CG 3.93Å; L351-L372 HydrophobicContact CD1-CD2 4.38Å; L351-L372 HydrophobicContact CD1-CG 4.24Å; L355-L372 HydrophobicContact CD2-CD1 4.09Å; S368-L372 WeakPolarHBondContact O-CB 3.24Å; S368-L372 VanDerWaalsContact O-CG 3.25Å; S368-L372 WeakPolarHBondContact O-CG 3.31Å; S368-L372 PolarHBondContact O-N 3.49Å; I369-L372 PolarHBondContact O-N 2.95Å; L372-L375 HydrophobicContact CD2-CD1 4.39Å; L372-V379 HydrophobicContact CD2-CG1 4.01Å; L372-L383 HydrophobicContact CD2-CD1 4.02Å; L372-I384 HydrophobicContact CB-CD1 4.03Å
373A88.4Confident86.8Confident8 Ų826.9 Ų26.97%0.06615%0.154CC..Hα-helixtrans-77.6-37.1179.900000113.7I369 A370 G371 L375 I380 H422I369-A373 VanDerWaalsContact O-CB 3.27Å; I369-A373 WeakPolarHBondContact O-CB 3.41Å; I369-A373 PolarHBondContact O-N 3.37Å; A370-A373 PolarHBondContact O-N 3.47Å; G371-A373 PolarHBondContact O-N 2.95Å; A373-L375 VanDerWaalsContact C-N 3.31Å; A373-I380 HydrophobicContact CB-CD1 4.14Å; A373-I380 HydrophobicContact CB-CG1 4.35Å; A373-H422 HydrophobicContact CB-CB 3.95Å
374E89.2Confident86.7Confident48 Ų4826.3 Ų26.322%0.22415%0.15CC..Hα-helixtrans-74.7-19.8177.4-70.7-65.8156.900113.3A326 R327 A330 K334 A370 G371 H422A326-E374 HydrophobicContact CB-CG 4.44Å; R327-E374 HydrophobicContact CG-CG 4Å; A330-E374 HydrophobicContact CB-CB 3.58Å; A330-E374 WeakPolarHBondContact CB-O 3.44Å; K334-E374 PolarHBondContact NZ-O 3.49Å; A370-E374 PolarHBondContact O-N 2.82Å; A370-E374 VanDerWaalsContact O-N 3.08Å; G371-E374 PolarHBondContact O-N 2.92Å; E374-H422 IonicContact OE1-CE1 2.65Å
375L86.1Confident86.4Confident17 Ų1727.4 Ų27.49%0.08916%0.155CC..THydrogen-bonded Turntrans-67.7-29.1175.3-77.7173000113.9M329 C333 G371 L372 A373 V379M329-L375 HydrophobicContact CE-CD1 4.5Å; M329-L375 HydrophobicContact CE-CD2 4.47Å; M329-L375 HydrophobicContact CE-CG 4.17Å; M329-L375 HydrophobicContact SD-CD2 3.91Å; M329-L375 HydrophobicContact SD-CG 4.23Å; C333-L375 HydrophobicContact CB-CD2 3.83Å; C333-L375 VanDerWaalsContact SG-CD2 3.55Å; G371-L375 WeakPolarHBondContact O-CG 3.39Å; G371-L375 PolarHBondContact O-N 3.39Å; L372-L375 HydrophobicContact CD2-CD1 4.39Å; A373-L375 VanDerWaalsContact C-N 3.31Å; L375-V379 HydrophobicContact CB-CB 4.36Å; L375-V379 HydrophobicContact CB-CG1 4.28Å; L375-V379 HydrophobicContact CB-CG2 4.11Å
376G84.1Confident86.3Confident26 Ų2631.9 Ų31.927%0.26819%0.185SC..  trans143.4165.217100000116.1D378 V379 I380G376-D378 PolarHBondContact O-N 3.34Å; G376-V379 WeakPolarHBondContact O-CB 3.4Å; G376-V379 PolarHBondContact O-N 3.39Å; G376-I380 PolarHBondContact O-N 3.47Å; G376-I380 VanDerWaalsContact O-N 3.16Å
377A82.6Confident85.8Confident42 Ų4234 Ų3435%0.34719%0.193SC..Hα-helixtrans-60.9-39.3-175.600000113.4V379 I380 K381 V426A377-V379 VanDerWaalsContact C-N 3.33Å; A377-V379 PolarHBondContact O-N 3.06Å; A377-I380 PolarHBondContact O-N 3.34Å; A377-K381 WeakPolarHBondContact O-CB 3.45Å; A377-K381 PolarHBondContact O-N 3.41Å; A377-V426 HydrophobicContact CB-CG2 3.98Å
378D83.8Confident85.4Confident114 Ų11434 Ų3461%0.6119%0.193SC*.Hα-helixtrans-72.6-26.4179.7-59-71.9000112.9G376 K381 T382G376-D378 PolarHBondContact O-N 3.34Å; D378-K381 PolarHBondContact O-N 3.32Å; D378-T382 WeakPolarHBondContact O-CB 3.29Å; D378-T382 WeakPolarHBondContact O-CG2 3.28Å; D378-T382 PolarHBondContact O-N 3.01Å; D378-T382 PolarHBondContact O-OG1 3.3Å
379V84.8Confident84.9Confident17 Ų1736.1 Ų36.110%0.10321%0.21CC..Hα-helixtrans-69.8-44.2172.4-174.80000110T348 L372 L375 G376 A377 T382 L383T348-V379 HydrophobicContact CG2-CG1 4.46Å; L372-V379 HydrophobicContact CD2-CG1 4.01Å; L375-V379 HydrophobicContact CB-CB 4.36Å; L375-V379 HydrophobicContact CB-CG1 4.28Å; L375-V379 HydrophobicContact CB-CG2 4.11Å; G376-V379 WeakPolarHBondContact O-CB 3.4Å; G376-V379 PolarHBondContact O-N 3.39Å; A377-V379 VanDerWaalsContact C-N 3.33Å; A377-V379 PolarHBondContact O-N 3.06Å; V379-T382 PolarHBondContact O-N 3.5Å; V379-T382 PolarHBondContact O-OG1 3.07Å; V379-L383 HydrophobicContact CG1-CD1 3.85Å; V379-L383 WeakPolarHBondContact O-CB 3.25Å; V379-L383 PolarHBondContact O-N 3.26Å
380I85.2Confident84.7Confident5 Ų540 Ų403%0.02623%0.234CC..Iπ-helixtrans-59.5-46.9171.2-61.9165.2000110.3A373 G376 A377 T382 I384 L385 H422 V426A373-I380 HydrophobicContact CB-CD1 4.14Å; A373-I380 HydrophobicContact CB-CG1 4.35Å; G376-I380 PolarHBondContact O-N 3.47Å; G376-I380 VanDerWaalsContact O-N 3.16Å; A377-I380 PolarHBondContact O-N 3.34Å; I380-T382 PolarHBondContact O-N 3.48Å; I380-I384 HydrophobicContact CB-CD1 4.44Å; I380-I384 HydrophobicContact CG1-CD1 4.14Å; I380-I384 HydrophobicContact CG2-CB 4.22Å; I380-I384 HydrophobicContact CG2-CD1 4.36Å; I380-I384 WeakPolarHBondContact O-CA 3.46Å; I380-I384 WeakPolarHBondContact O-CB 3.49Å; I380-I384 PolarHBondContact O-N 3.16Å; I380-L385 PolarHBondContact O-N 2.87Å; I380-L385 VanDerWaalsContact O-N 3.09Å; I380-H422 HydrophobicContact CD1-CB 4.4Å; I380-V426 HydrophobicContact CB-CG1 4.44Å; I380-V426 HydrophobicContact CB-CG2 4.04Å; I380-V426 HydrophobicContact CD1-CG2 3.65Å; I380-V426 HydrophobicContact CG1-CG2 4.45Å; I380-V426 HydrophobicContact CG2-CB 4.1Å; I380-V426 HydrophobicContact CG2-CG1 4.14Å; I380-V426 HydrophobicContact CG2-CG2 3.93Å
381K82.8Confident84.2Confident97 Ų9740.4 Ų40.442%0.42224%0.236SC..Iπ-helixtrans-59.6-42.4-179.4-177.7-179.9-179.1-176.40112.9A377 D378 L385 V426 I430A377-K381 WeakPolarHBondContact O-CB 3.45Å; A377-K381 PolarHBondContact O-N 3.41Å; D378-K381 PolarHBondContact O-N 3.32Å; K381-L385 HydrophobicContact CB-CD1 4.36Å; K381-L385 HydrophobicContact CG-CD1 4.18Å; K381-V426 HydrophobicContact CB-CG1 4.41Å; K381-I430 HydrophobicContact CB-CD1 4.14Å; K381-I430 HydrophobicContact CD-CD1 3.71Å; K381-I430 HydrophobicContact CD-CG1 4.39Å; K381-I430 HydrophobicContact CG-CD1 3.72Å
382T86.1Confident83.7Confident93 Ų9340.4 Ų40.457%0.57124%0.236SC*.Iπ-helixtrans-86.8-32-174.750.10000113.9D378 V379 I380D378-T382 WeakPolarHBondContact O-CB 3.29Å; D378-T382 WeakPolarHBondContact O-CG2 3.28Å; D378-T382 PolarHBondContact O-N 3.01Å; D378-T382 PolarHBondContact O-OG1 3.3Å; V379-T382 PolarHBondContact O-N 3.5Å; V379-T382 PolarHBondContact O-OG1 3.07Å; I380-T382 PolarHBondContact O-N 3.48Å
383L83Confident83.4Confident44 Ų4443.1 Ų43.123%0.2326%0.258CS..Iπ-helixtrans-110.9-32.7-171.9-58.4176.5000114.4T348 L372 V379 R387T348-L383 HydrophobicContact CG2-CD1 3.33Å; L372-L383 HydrophobicContact CD2-CD1 4.02Å; V379-L383 HydrophobicContact CG1-CD1 3.85Å; V379-L383 WeakPolarHBondContact O-CB 3.25Å; V379-L383 PolarHBondContact O-N 3.26Å; L383-R387 WeakPolarHBondContact O-CD 3.48Å
384I82.9Confident82.9Confident7 Ų745.6 Ų45.64%0.03627%0.266CS..Iπ-helixtrans-94.5-44.9-175.3-54.2-175.7000111.1L372 I380 R387 L388 L419L372-I384 HydrophobicContact CB-CD1 4.03Å; I380-I384 HydrophobicContact CB-CD1 4.44Å; I380-I384 HydrophobicContact CG1-CD1 4.14Å; I380-I384 HydrophobicContact CG2-CB 4.22Å; I380-I384 HydrophobicContact CG2-CD1 4.36Å; I380-I384 WeakPolarHBondContact O-CA 3.46Å; I380-I384 WeakPolarHBondContact O-CB 3.49Å; I380-I384 PolarHBondContact O-N 3.16Å; I384-R387 CarbonylContact O-C 3.57Å; I384-R387 WeakPolarHBondContact O-CA 3.42Å; I384-R387 PolarHBondContact O-N 2.95Å; I384-L388 PolarHBondContact O-N 3.34Å; I384-L419 HydrophobicContact CG2-CD2 3.8Å
385L82.1Confident82.6Confident27 Ų2743.3 Ų43.314%0.14126%0.255CS..G310 helixtrans-55.2-44.9-179-64.4-177.1000113.9I380 K381 R387 L388 I427 I430 Y444I380-L385 PolarHBondContact O-N 2.87Å; I380-L385 VanDerWaalsContact O-N 3.09Å; K381-L385 HydrophobicContact CB-CD1 4.36Å; K381-L385 HydrophobicContact CG-CD1 4.18Å; L385-R387 PolarHBondContact O-N 3.37Å; L385-R387 VanDerWaalsContact O-N 3.12Å; L385-L388 HydrophobicContact CD2-CD2 4.24Å; L385-L388 PolarHBondContact O-N 3.26Å; L385-I427 HydrophobicContact CD2-CD1 3.91Å; L385-I427 HydrophobicContact CD2-CG1 3.76Å; L385-I430 HydrophobicContact CD1-CD1 4.03Å; L385-Y444 HydrophobicContact CD2-CE1 4.39Å
386P83.8Confident82.3Confident97 Ų9747 Ų4763%0.6327%0.271SS*.G310 helixtrans-66.5-13.6178.1-20.634.4000114.3
387R79.9Confident82.1Confident65 Ų6549 Ų4925%0.24528%0.284CS..G310 helixtrans-106.6-8.5-178.5-62.8-177.3176.4-127-5.4113.5L356 L383 I384 L385 A389 V390 E391L356-R387 VanDerWaalsContact CD2-NH2 3.26Å; L383-R387 WeakPolarHBondContact O-CD 3.48Å; I384-R387 CarbonylContact O-C 3.57Å; I384-R387 WeakPolarHBondContact O-CA 3.42Å; I384-R387 PolarHBondContact O-N 2.95Å; L385-R387 PolarHBondContact O-N 3.37Å; L385-R387 VanDerWaalsContact O-N 3.12Å; R387-A389 PolarHBondContact O-N 3.41Å; R387-V390 WeakPolarHBondContact O-CA 3.27Å; R387-V390 WeakPolarHBondContact O-CB 3.39Å; R387-V390 PolarHBondContact O-N 3.35Å; R387-E391 PolarHBondContact O-N 2.96Å
388L81.1Confident82.1Confident1 Ų148 Ų481%0.00527%0.274CS..Hα-helixtrans-62.9-32.3-170.6-166.754.5000112.3I384 L385 G392 L419 C423 I427 Y444 L447 L451I384-L388 PolarHBondContact O-N 3.34Å; L385-L388 HydrophobicContact CD2-CD2 4.24Å; L385-L388 PolarHBondContact O-N 3.26Å; L388-G392 WeakPolarHBondContact O-CA 3.36Å; L388-G392 PolarHBondContact O-N 3.1Å; L388-L419 HydrophobicContact CD1-CB 4.34Å; L388-L419 HydrophobicContact CD1-CD1 4.32Å; L388-L419 HydrophobicContact CD1-CD2 4.14Å; L388-C423 HydrophobicContact CD2-CB 4Å; L388-I427 HydrophobicContact CD2-CD1 4.42Å; L388-Y444 HydrophobicContact CB-CD1 4.25Å; L388-Y444 HydrophobicContact CD2-CD1 3.83Å; L388-Y444 HydrophobicContact CD2-CE1 4.35Å; L388-Y444 HydrophobicContact CD2-CG 4.22Å; L388-Y444 HydrophobicContact CG-CD1 4.35Å; L388-L447 HydrophobicContact CD1-CD1 3.65Å; L388-L447 HydrophobicContact CG-CD1 4.21Å; L388-L451 HydrophobicContact CD2-CD1 3.57Å; L388-L451 HydrophobicContact CD2-CD2 4.29Å; L388-L451 HydrophobicContact CG-CD1 4.13Å
389A79.3Confident81.7Confident44 Ų4446.4 Ų46.436%0.36426%0.264SS..Hα-helixtrans-67.8-38170.800000113.2R387 A393R387-A389 PolarHBondContact O-N 3.41Å; A389-A393 WeakPolarHBondContact O-CB 3.42Å; A389-A393 PolarHBondContact O-N 3.02Å
390V83.9Confident81.2Confident87 Ų8750.3 Ų50.353%0.52728%0.284SS..Hα-helixtrans-71.5-50.1179.8-178.30000110.8R387 G392 A393 R394R387-V390 WeakPolarHBondContact O-CA 3.27Å; R387-V390 WeakPolarHBondContact O-CB 3.39Å; R387-V390 PolarHBondContact O-N 3.35Å; V390-G392 VanDerWaalsContact C-N 3.3Å; V390-G392 PolarHBondContact O-N 3.49Å; V390-A393 PolarHBondContact O-N 2.88Å; V390-R394 WeakPolarHBondContact O-CG 3.15Å; V390-R394 PolarHBondContact O-N 3.4Å; V390-R394 VanDerWaalsContact O-N 3.1Å
391E80.4Confident80.6Confident9 Ų951.2 Ų51.24%0.04230%0.295CS..Hα-helixtrans-63.7-37.7174.9-62.1-58.9145.400111R365 R387 A393 R394 I395 L419R365-E391 IonicContact CZ-OE1 3.93Å; R365-E391 IonicContact CZ-OE2 3.96Å; R365-E391 IonicContact NH1-OE1 3.85Å; R365-E391 PolarHBondContact NH1-OE1 3.42Å; R365-E391 IonicContact NH1-OE2 2.71Å; R365-E391 PolarHBondContact NH1-OE2 2.94Å; R387-E391 PolarHBondContact O-N 2.96Å; E391-A393 PolarHBondContact O-N 2.94Å; E391-R394 PolarHBondContact O-N 2.98Å; E391-I395 VanDerWaalsContact O-CG1 3.29Å; E391-I395 WeakPolarHBondContact O-CG1 3.31Å; E391-I395 PolarHBondContact O-N 3Å; E391-L419 HydrophobicContact CB-CD1 4.24Å
392G79.9Confident79.5Confident0 Ų052.8 Ų52.80%032%0.315CS..Hα-helixtrans-60.7-39173.600000113.8L388 V390 K396L388-G392 WeakPolarHBondContact O-CA 3.36Å; L388-G392 PolarHBondContact O-N 3.1Å; V390-G392 VanDerWaalsContact C-N 3.3Å; V390-G392 PolarHBondContact O-N 3.49Å; G392-K396 PolarHBondContact O-N 3.37Å
393A81.8Confident78.2Confident58 Ų5855.4 Ų55.448%0.47933%0.33SS..Hα-helixtrans-67.5-36.8173.700000112.4A389 V390 E391 K396 A397A389-A393 WeakPolarHBondContact O-CB 3.42Å; A389-A393 PolarHBondContact O-N 3.02Å; V390-A393 PolarHBondContact O-N 2.88Å; E391-A393 PolarHBondContact O-N 2.94Å; A393-K396 PolarHBondContact O-N 2.96Å; A393-A397 PolarHBondContact O-N 3.37Å
394R78.2Confident77.2Confident59 Ų5955.8 Ų55.822%0.22334%0.335CS..Hα-helixtrans-69-40.9175.3-64.4174.977.8129.99.5112.5D358 W362 V390 E391 K396 A397 V398D358-R394 PolarHBondContact O-NH2 3.48Å; D358-R394 IonicContact OD1-CZ 3.62Å; D358-R394 IonicContact OD1-NH1 3.67Å; D358-R394 PolarHBondContact OD1-NH1 2.93Å; W362-R394 HydrophobicContact CH2-CB 4.03Å; V390-R394 WeakPolarHBondContact O-CG 3.15Å; V390-R394 PolarHBondContact O-N 3.4Å; V390-R394 VanDerWaalsContact O-N 3.1Å; E391-R394 PolarHBondContact O-N 2.98Å; R394-K396 VanDerWaalsContact C-N 3.34Å; R394-A397 PolarHBondContact O-N 3.4Å; R394-V398 PolarHBondContact O-N 2.83Å
395I81.9Confident76.7Confident0 Ų058.6 Ų58.60%036%0.355CS..Hα-helixtrans-60.2-47.1173.7-70.4162.4000109.5W362 E391 A397 V398 M399 V415 Q416 L419 Y446 L447W362-I395 HydrophobicContact CH2-CG1 4.46Å; W362-I395 HydrophobicContact CZ3-CG1 4.21Å; E391-I395 VanDerWaalsContact O-CG1 3.29Å; E391-I395 WeakPolarHBondContact O-CG1 3.31Å; E391-I395 PolarHBondContact O-N 3Å; I395-A397 VanDerWaalsContact C-N 3.32Å; I395-A397 PolarHBondContact O-N 3.35Å; I395-V398 PolarHBondContact O-N 3.35Å; I395-V398 VanDerWaalsContact O-N 3.12Å; I395-M399 HydrophobicContact CG2-CG 4.22Å; I395-M399 HydrophobicContact CG2-SD 3.53Å; I395-M399 VanDerWaalsContact CG2-SD 3.53Å; I395-M399 WeakPolarHBondContact O-CG 3.46Å; I395-M399 PolarHBondContact O-N 3.43Å; I395-V415 HydrophobicContact CD1-CG1 4.22Å; I395-Q416 HydrophobicContact CD1-CB 4.27Å; I395-Q416 HydrophobicContact CG2-CB 4.2Å; I395-Q416 HydrophobicContact CG2-CG 4.33Å; I395-L419 HydrophobicContact CD1-CD1 3.91Å; I395-Y446 HydrophobicContact CG2-CE1 4.44Å; I395-L447 HydrophobicContact CD1-CD1 4.43Å
396K80Confident76.4Confident95 Ų9562.9 Ų62.941%0.41338%0.378SS..Hα-helixtrans-55-46.4173.3-170.9-177.4-174.7-168.80112.1G392 A393 R394 V398 M399 D400 Y446G392-K396 PolarHBondContact O-N 3.37Å; A393-K396 PolarHBondContact O-N 2.96Å; R394-K396 VanDerWaalsContact C-N 3.34Å; K396-V398 PolarHBondContact O-N 2.96Å; K396-M399 PolarHBondContact O-N 2.81Å; K396-D400 WeakPolarHBondContact CE-OD2 3.33Å; K396-D400 HydrophobicContact CG-CB 4.32Å; K396-D400 WeakPolarHBondContact CG-OD2 3.37Å; K396-D400 IonicContact NZ-OD2 2.7Å; K396-D400 WeakPolarHBondContact O-CB 3.48Å; K396-D400 PolarHBondContact O-N 3.1Å; K396-Y446 HydrophobicContact CB-CD1 3.76Å; K396-Y446 HydrophobicContact CB-CD2 3.97Å; K396-Y446 HydrophobicContact CB-CE1 3.88Å; K396-Y446 HydrophobicContact CB-CE2 4.05Å; K396-Y446 HydrophobicContact CB-CG 3.78Å; K396-Y446 HydrophobicContact CD-CD2 3.54Å; K396-Y446 HydrophobicContact CD-CE2 3.8Å; K396-Y446 HydrophobicContact CD-CG 4.08Å; K396-Y446 HydrophobicContact CG-CD1 4.33Å; K396-Y446 HydrophobicContact CG-CD2 3.67Å; K396-Y446 HydrophobicContact CG-CE1 4.25Å; K396-Y446 HydrophobicContact CG-CE2 3.54Å; K396-Y446 HydrophobicContact CG-CG 4.04Å
397A81.4Confident76Confident67 Ų6762.1 Ų62.155%0.55437%0.367SS*.Hα-helixtrans-63.4-19.6-179.100000114.3A393 R394 I395 G401A393-A397 PolarHBondContact O-N 3.37Å; R394-A397 PolarHBondContact O-N 3.4Å; I395-A397 VanDerWaalsContact C-N 3.32Å; I395-A397 PolarHBondContact O-N 3.35Å; A397-G401 WeakPolarHBondContact O-CA 3.43Å
398V81Confident76Confident21 Ų2161.1 Ų61.113%0.12737%0.367CS..Hα-helixtrans-96.3-32173.6170.20000112.9W362 R394 I395 K396 V404 A412W362-V398 HydrophobicContact CH2-CG2 4.47Å; W362-V398 HydrophobicContact CZ2-CB 4.35Å; W362-V398 HydrophobicContact CZ2-CG2 3.56Å; R394-V398 PolarHBondContact O-N 2.83Å; I395-V398 PolarHBondContact O-N 3.35Å; I395-V398 VanDerWaalsContact O-N 3.12Å; K396-V398 PolarHBondContact O-N 2.96Å; V398-V404 HydrophobicContact CB-CG2 4.47Å; V398-V404 HydrophobicContact CG1-CB 4.16Å; V398-V404 HydrophobicContact CG1-CG1 4.17Å; V398-V404 HydrophobicContact CG1-CG2 4.26Å; V398-V404 HydrophobicContact CG2-CG1 4.43Å; V398-V404 HydrophobicContact CG2-CG2 4.4Å; V398-A412 HydrophobicContact CB-CB 4.38Å; V398-A412 HydrophobicContact CG1-CB 3.92Å
399M75.8Confident76Confident81 Ų8166.2 Ų66.240%0.39939%0.386SS..Hα-helixtrans-76.4-43177.3-69.9179.765.900112.9I395 K396 Y446I395-M399 HydrophobicContact CG2-CG 4.22Å; I395-M399 HydrophobicContact CG2-SD 3.53Å; I395-M399 VanDerWaalsContact CG2-SD 3.53Å; I395-M399 WeakPolarHBondContact O-CG 3.46Å; I395-M399 PolarHBondContact O-N 3.43Å; K396-M399 PolarHBondContact O-N 2.81Å; M399-Y446 HydrophobicContact SD-CE1 4.14Å
400D75.4Confident76.1Confident99 Ų9967 Ų6753%0.52938%0.384SS..SBendtrans-96.31.8-177.2-57.211.2000111.7K396 Y446K396-D400 WeakPolarHBondContact CE-OD2 3.33Å; K396-D400 HydrophobicContact CG-CB 4.32Å; K396-D400 WeakPolarHBondContact CG-OD2 3.37Å; K396-D400 IonicContact NZ-OD2 2.7Å; K396-D400 WeakPolarHBondContact O-CB 3.48Å; K396-D400 PolarHBondContact O-N 3.1Å; D400-Y446 PolarHBondContact OD1-OH 3.35Å
401G71.5Confident76Confident24 Ų2463 Ų6325%0.24736%0.359CS..SBendtrans-90.3157-173.500000114.8A397 V403A397-G401 WeakPolarHBondContact O-CA 3.43Å; G401-V403 PolarHBondContact O-N 2.96Å; G401-V403 VanDerWaalsContact O-N 3.1Å
402P59.9Low76.1Confident130 Ų13062.5 Ų62.584%0.84436%0.357SS*.SBendtrans-72.3105.5-177.529.2-34.4000112.2V404P402-V404 PolarHBondContact O-N 3.35Å
403V58.2Low76.4Confident148 Ų14867.3 Ų67.390%0.89738%0.38SS*.  trans48.757.6166.8-159.90000114.2G401G401-V403 PolarHBondContact O-N 2.96Å; G401-V403 VanDerWaalsContact O-N 3.1Å
404V63.1Low76.5Confident53 Ų5368 Ų6832%0.32137%0.373SS..  trans-70.4147.9162.6-159.90000109.2V398 P402 D408V398-V404 HydrophobicContact CB-CG2 4.47Å; V398-V404 HydrophobicContact CG1-CB 4.16Å; V398-V404 HydrophobicContact CG1-CG1 4.17Å; V398-V404 HydrophobicContact CG1-CG2 4.26Å; V398-V404 HydrophobicContact CG2-CG1 4.43Å; V398-V404 HydrophobicContact CG2-CG2 4.4Å; P402-V404 PolarHBondContact O-N 3.35Å; V404-D408 HydrophobicContact CG1-CB 3.77Å
405S72.1Confident76.9Confident66 Ų6665.2 Ų65.246%0.46236%0.362SS..  trans-51.1140.5-176.7-160000112.4I407 D408 R409S405-I407 PolarHBondContact O-N 3.46Å; S405-D408 WeakPolarHBondContact CB-OD2 3.46Å; S405-D408 WeakPolarHBondContact O-CA 3.44Å; S405-D408 WeakPolarHBondContact O-CB 3.39Å; S405-D408 PolarHBondContact O-N 3.2Å; S405-D408 PolarHBondContact OG-OD2 3.47Å; S405-R409 PolarHBondContact O-N 2.84Å
406N75.7Confident77.1Confident117 Ų11766.2 Ų66.263%0.62637%0.367SS*.Hα-helixtrans-53.2-34.7179-82.2-43.6000113.3R409 I410N406-R409 PolarHBondContact O-N 3Å; N406-I410 WeakPolarHBondContact O-CB 3.43Å; N406-I410 WeakPolarHBondContact O-CD1 3.4Å; N406-I410 VanDerWaalsContact O-CG1 3.26Å; N406-I410 WeakPolarHBondContact O-CG1 3.39Å; N406-I410 PolarHBondContact O-N 2.63Å
407I76.1Confident77.4Confident80 Ų8065.1 Ų65.141%0.4137%0.371SS..Hα-helixtrans-62.6-42.8175.8-58162000111.1P313 S405 G411P313-I407 HydrophobicContact CB-CG2 4.19Å; P313-I407 HydrophobicContact CG-CD1 3.97Å; P313-I407 HydrophobicContact CG-CG1 4.36Å; P313-I407 HydrophobicContact CG-CG2 3.98Å; S405-I407 PolarHBondContact O-N 3.46Å; I407-G411 PolarHBondContact O-N 2.89Å
408D78.4Confident77.6Confident44 Ų4462.3 Ų62.324%0.23535%0.347CS..Hα-helixtrans-71.9-35.7178.2-61.2-59.4000111.5V404 S405 G411 A412V404-D408 HydrophobicContact CG1-CB 3.77Å; S405-D408 WeakPolarHBondContact CB-OD2 3.46Å; S405-D408 WeakPolarHBondContact O-CA 3.44Å; S405-D408 WeakPolarHBondContact O-CB 3.39Å; S405-D408 PolarHBondContact O-N 3.2Å; S405-D408 PolarHBondContact OG-OD2 3.47Å; D408-G411 PolarHBondContact O-N 2.97Å; D408-A412 WeakPolarHBondContact O-CB 3.4Å; D408-A412 PolarHBondContact O-N 2.69Å
409R81.9Confident77.8Confident109 Ų10961.5 Ų61.541%0.41134%0.342SS..Hα-helixtrans-62.3-48173.4-166-173.165.767.2-0.8111.4S405 N406 G411 A412 E413S405-R409 PolarHBondContact O-N 2.84Å; N406-R409 PolarHBondContact O-N 3Å; R409-G411 VanDerWaalsContact C-N 3.34Å; R409-A412 PolarHBondContact O-N 3.14Å; R409-E413 IonicContact NH1-OE2 3.55Å; R409-E413 PolarHBondContact NH1-OE2 3.38Å; R409-E413 WeakPolarHBondContact O-CB 3.39Å; R409-E413 PolarHBondContact O-N 2.95Å
410I82.1Confident78.2Confident61 Ų6158 Ų5831%0.31332%0.324SS..Hα-helixtrans-63-40.7175.3-69.2164.3000110.6N406 E413 H414N406-I410 WeakPolarHBondContact O-CB 3.43Å; N406-I410 WeakPolarHBondContact O-CD1 3.4Å; N406-I410 VanDerWaalsContact O-CG1 3.26Å; N406-I410 WeakPolarHBondContact O-CG1 3.39Å; N406-I410 PolarHBondContact O-N 2.63Å; I410-E413 PolarHBondContact O-N 3.2Å; I410-H414 PolarHBondContact O-CD2 3.07Å; I410-H414 PolarHBondContact O-N 2.88Å
411G80.7Confident78.7Confident1 Ų159.2 Ų59.21%0.0133%0.325CS..Hα-helixtrans-62.5-43.617500000113.4I407 D408 R409 H414 V415I407-G411 PolarHBondContact O-N 2.89Å; D408-G411 PolarHBondContact O-N 2.97Å; R409-G411 VanDerWaalsContact C-N 3.34Å; G411-H414 PolarHBondContact O-N 3.09Å; G411-V415 WeakPolarHBondContact O-CB 3.41Å; G411-V415 VanDerWaalsContact O-CG2 3.3Å; G411-V415 WeakPolarHBondContact O-CG2 3.33Å; G411-V415 PolarHBondContact O-N 3.48Å
412A83Confident79.2Confident0 Ų059.5 Ų59.50%032%0.32CS..Hα-helixtrans-64.5-40.317500000111.9W362 V398 D408 R409 V415 Q416W362-A412 HydrophobicContact CD2-CB 4.47Å; W362-A412 HydrophobicContact CE3-CB 4.43Å; V398-A412 HydrophobicContact CB-CB 4.38Å; V398-A412 HydrophobicContact CG1-CB 3.92Å; D408-A412 WeakPolarHBondContact O-CB 3.4Å; D408-A412 PolarHBondContact O-N 2.69Å; R409-A412 PolarHBondContact O-N 3.14Å; A412-V415 PolarHBondContact O-N 3.33Å; A412-Q416 VanDerWaalsContact O-CB 3.27Å; A412-Q416 WeakPolarHBondContact O-CB 3.48Å; A412-Q416 PolarHBondContact O-N 3.43Å
413E85.7Confident80.2Confident101 Ų10153.3 Ų53.347%0.47228%0.28SS..Hα-helixtrans-62.6-44.2175.9-169.1176.3157.900111.8R409 I410 Q416 S417R409-E413 IonicContact NH1-OE2 3.55Å; R409-E413 PolarHBondContact NH1-OE2 3.38Å; R409-E413 WeakPolarHBondContact O-CB 3.39Å; R409-E413 PolarHBondContact O-N 2.95Å; I410-E413 PolarHBondContact O-N 3.2Å; E413-Q416 PolarHBondContact O-N 2.61Å; E413-S417 WeakPolarHBondContact O-CB 3.32Å; E413-S417 PolarHBondContact O-N 3.29Å
414H84.9Confident81.3Confident72 Ų7246.4 Ų46.433%0.33324%0.238SC..Hα-helixtrans-66.3-40.4173.9-73.9-52.2000113W319 Y366 I410 G411 S417 L418W319-H414 AromaticContact CD1-CD2 3.96Å; W319-H414 AromaticContact CD1-NE2 3.87Å; W319-H414 AromaticContact CD2-CD2 4Å; W319-H414 AromaticContact CE2-CD2 3.42Å; W319-H414 VanDerWaalsContact CE2-CD2 3.42Å; W319-H414 AromaticContact CZ2-CD2 3.72Å; W319-H414 AromaticContact NE1-CD2 3.39Å; W319-H414 PolarHBondContact NE1-CD2 2.95Å; W319-H414 AromaticContact NE1-NE2 3.54Å; Y366-H414 HydrophobicContact CD2-CB 4.12Å; Y366-H414 HydrophobicContact CE2-CB 3.97Å; I410-H414 PolarHBondContact O-CD2 3.07Å; I410-H414 PolarHBondContact O-N 2.88Å; G411-H414 PolarHBondContact O-N 3.09Å; H414-S417 PolarHBondContact O-N 2.87Å; H414-L418 VanDerWaalsContact O-CB 3.32Å; H414-L418 WeakPolarHBondContact O-CB 3.48Å; H414-L418 PolarHBondContact O-N 3.22Å
415V85.4Confident82.2Confident0 Ų046.6 Ų46.60%024%0.242CC..Hα-helixtrans-64.3-42.2174.5169.30000111.2W362 Y366 I369 I395 G411 A412 L418 L419W362-V415 HydrophobicContact CE3-CG2 4.35Å; Y366-V415 HydrophobicContact CD2-CG2 4.02Å; Y366-V415 HydrophobicContact CG-CG2 4.38Å; I369-V415 HydrophobicContact CD1-CG1 3.78Å; I395-V415 HydrophobicContact CD1-CG1 4.22Å; G411-V415 WeakPolarHBondContact O-CB 3.41Å; G411-V415 VanDerWaalsContact O-CG2 3.3Å; G411-V415 WeakPolarHBondContact O-CG2 3.33Å; G411-V415 PolarHBondContact O-N 3.48Å; A412-V415 PolarHBondContact O-N 3.33Å; V415-L418 PolarHBondContact O-N 3.33Å; V415-L419 HydrophobicContact CG1-CD1 3.94Å; V415-L419 HydrophobicContact CG1-CG 4.43Å; V415-L419 WeakPolarHBondContact O-CB 3.23Å; V415-L419 WeakPolarHBondContact O-CG 3.18Å; V415-L419 PolarHBondContact O-N 3.4Å
416Q86Confident82.6Confident22 Ų2243.8 Ų43.810%0.10322%0.222CC..Hα-helixtrans-60.4-50.7175.3-174.5-176.634.800110.9I395 A412 E413 L418 L419 L420 L447I395-Q416 HydrophobicContact CD1-CB 4.27Å; I395-Q416 HydrophobicContact CG2-CB 4.2Å; I395-Q416 HydrophobicContact CG2-CG 4.33Å; A412-Q416 VanDerWaalsContact O-CB 3.27Å; A412-Q416 WeakPolarHBondContact O-CB 3.48Å; A412-Q416 PolarHBondContact O-N 3.43Å; E413-Q416 PolarHBondContact O-N 2.61Å; Q416-L418 VanDerWaalsContact C-N 3.34Å; Q416-L418 PolarHBondContact O-N 3.34Å; Q416-L419 PolarHBondContact O-N 3Å; Q416-L420 HydrophobicContact CG-CD1 4.07Å; Q416-L420 HydrophobicContact CG-CG 4.42Å; Q416-L420 WeakPolarHBondContact O-CB 3.41Å; Q416-L420 VanDerWaalsContact O-CG 3.25Å; Q416-L420 WeakPolarHBondContact O-CG 3.47Å; Q416-L420 PolarHBondContact O-N 3.19Å; Q416-L447 HydrophobicContact CG-CD2 3.91Å
417S87.1Confident82.7Confident71 Ų7138.3 Ų38.350%0.49719%0.192SC..Hα-helixtrans-59.1-42.6178.4-174.30000112.4E413 H414 L420 K421E413-S417 WeakPolarHBondContact O-CB 3.32Å; E413-S417 PolarHBondContact O-N 3.29Å; H414-S417 PolarHBondContact O-N 2.87Å; S417-L420 PolarHBondContact O-N 3.21Å; S417-K421 VanDerWaalsContact O-CB 3.31Å; S417-K421 WeakPolarHBondContact O-CB 3.26Å; S417-K421 PolarHBondContact O-N 2.99Å
418L85.5Confident82.7Confident9 Ų935.4 Ų35.45%0.04718%0.18CC..Hα-helixtrans-63.4-48.2175.8-173.573.5000112Y366 I369 A370 H414 V415 Q416 K421 H422Y366-L418 HydrophobicContact CD2-CB 4.47Å; Y366-L418 HydrophobicContact CD2-CD2 3.88Å; Y366-L418 HydrophobicContact CE2-CB 4.07Å; Y366-L418 HydrophobicContact CE2-CD2 3.82Å; Y366-L418 HydrophobicContact CE2-CG 4.37Å; Y366-L418 HydrophobicContact CG-CD2 4.3Å; I369-L418 HydrophobicContact CB-CD2 4.1Å; I369-L418 HydrophobicContact CG2-CD2 3.71Å; I369-L418 HydrophobicContact CG2-CG 4.25Å; A370-L418 HydrophobicContact CB-CD2 3.93Å; H414-L418 VanDerWaalsContact O-CB 3.32Å; H414-L418 WeakPolarHBondContact O-CB 3.48Å; H414-L418 PolarHBondContact O-N 3.22Å; V415-L418 PolarHBondContact O-N 3.33Å; Q416-L418 VanDerWaalsContact C-N 3.34Å; Q416-L418 PolarHBondContact O-N 3.34Å; L418-K421 PolarHBondContact O-N 3.01Å; L418-H422 PolarHBondContact O-CD2 2.96Å; L418-H422 PolarHBondContact O-N 3.22Å
419L84.6Confident82.7Confident3 Ų341.1 Ų41.12%0.01620%0.203CC..Hα-helixtrans-60.8-46.1176.6-76.6171.9000111.4I369 I384 L388 E391 I395 V415 Q416 K421 C423 L447I369-L419 HydrophobicContact CD1-CD1 4.29Å; I369-L419 HydrophobicContact CD1-CD2 4.13Å; I369-L419 HydrophobicContact CD1-CG 4.24Å; I369-L419 HydrophobicContact CG1-CD2 4.46Å; I369-L419 HydrophobicContact CG2-CD2 3.68Å; I369-L419 HydrophobicContact CG2-CG 4.2Å; I384-L419 HydrophobicContact CG2-CD2 3.8Å; L388-L419 HydrophobicContact CD1-CB 4.34Å; L388-L419 HydrophobicContact CD1-CD1 4.32Å; L388-L419 HydrophobicContact CD1-CD2 4.14Å; E391-L419 HydrophobicContact CB-CD1 4.24Å; I395-L419 HydrophobicContact CD1-CD1 3.91Å; V415-L419 HydrophobicContact CG1-CD1 3.94Å; V415-L419 HydrophobicContact CG1-CG 4.43Å; V415-L419 WeakPolarHBondContact O-CB 3.23Å; V415-L419 WeakPolarHBondContact O-CG 3.18Å; V415-L419 PolarHBondContact O-N 3.4Å; Q416-L419 PolarHBondContact O-N 3Å; L419-K421 PolarHBondContact O-N 3.31Å; L419-C423 WeakPolarHBondContact O-CA 3.37Å; L419-C423 WeakPolarHBondContact O-CB 3.43Å; L419-C423 PolarHBondContact O-N 3.48Å; L419-C423 PolarHBondContact O-SG 2.91Å; L419-L447 HydrophobicContact CD1-CD1 4.46Å
420L84.8Confident82.3Confident7 Ų739.5 Ų39.54%0.03720%0.202CC..Hα-helixtrans-59-47.3176.9-70.9175.7000111.5Q416 S417 A424 M450 L451Q416-L420 HydrophobicContact CG-CD1 4.07Å; Q416-L420 HydrophobicContact CG-CG 4.42Å; Q416-L420 WeakPolarHBondContact O-CB 3.41Å; Q416-L420 VanDerWaalsContact O-CG 3.25Å; Q416-L420 WeakPolarHBondContact O-CG 3.47Å; Q416-L420 PolarHBondContact O-N 3.19Å; S417-L420 PolarHBondContact O-N 3.21Å; L420-A424 WeakPolarHBondContact O-CB 3.46Å; L420-A424 PolarHBondContact O-N 3.02Å; L420-A424 VanDerWaalsContact O-N 3.11Å; L420-M450 HydrophobicContact CD1-CB 4.08Å; L420-M450 HydrophobicContact CD1-CE 4.22Å; L420-M450 HydrophobicContact CD2-CB 3.67Å; L420-L451 HydrophobicContact CD2-CB 4.46Å; L420-L451 HydrophobicContact CD2-CD2 3.78Å; L420-L451 HydrophobicContact CD2-CG 3.76Å
421K85.5Confident81.9Confident125 Ų12539.3 Ų39.354%0.54320%0.197SC..Hα-helixtrans-61-53.1179.4178.8-173.2172.4-1590112.4S417 L418 L419S417-K421 VanDerWaalsContact O-CB 3.31Å; S417-K421 WeakPolarHBondContact O-CB 3.26Å; S417-K421 PolarHBondContact O-N 2.99Å; L418-K421 PolarHBondContact O-N 3.01Å; L419-K421 PolarHBondContact O-N 3.31Å
422H82.9Confident81.1Confident30 Ų3044.3 Ų44.314%0.13923%0.229CC..Hα-helixtrans-81.9-36.4-172.2-70-102.1000112.6A373 E374 I380 L418 V426A373-H422 HydrophobicContact CB-CB 3.95Å; E374-H422 IonicContact OE1-CE1 2.65Å; I380-H422 HydrophobicContact CD1-CB 4.4Å; L418-H422 PolarHBondContact O-CD2 2.96Å; L418-H422 PolarHBondContact O-N 3.22Å; H422-V426 PolarHBondContact O-N 3.27Å
423C80.6Confident79.9Confident1 Ų152.2 Ų52.21%0.00727%0.266CS..Hα-helixtrans-70.4-39.5176.1-58.60000111.8L388 L419 S425 V426 I427 L451L388-C423 HydrophobicContact CD2-CB 4Å; L419-C423 WeakPolarHBondContact O-CA 3.37Å; L419-C423 WeakPolarHBondContact O-CB 3.43Å; L419-C423 PolarHBondContact O-N 3.48Å; L419-C423 PolarHBondContact O-SG 2.91Å; C423-S425 VanDerWaalsContact C-N 3.35Å; C423-S425 PolarHBondContact O-N 3.43Å; C423-V426 PolarHBondContact O-N 2.92Å; C423-V426 VanDerWaalsContact O-N 3.13Å; C423-I427 HydrophobicContact CB-CD1 4.21Å; C423-I427 VanDerWaalsContact O-CG1 3.28Å; C423-I427 WeakPolarHBondContact O-CG1 3.48Å; C423-I427 PolarHBondContact O-N 2.66Å; C423-L451 HydrophobicContact CB-CD2 3.97Å
424A81Confident78.5Confident2 Ų252.5 Ų52.52%0.01728%0.277CS..Hα-helixtrans-62.1-40.9178.200000112.6L420 V426 I427 A428 H454 V455L420-A424 WeakPolarHBondContact O-CB 3.46Å; L420-A424 PolarHBondContact O-N 3.02Å; L420-A424 VanDerWaalsContact O-N 3.11Å; A424-V426 PolarHBondContact O-N 3.1Å; A424-I427 PolarHBondContact O-N 2.98Å; A424-A428 WeakPolarHBondContact O-CB 3.3Å; A424-A428 PolarHBondContact O-N 3.08Å; A424-H454 HydrophobicContact CB-CB 3.68Å; A424-V455 HydrophobicContact CB-CG2 3.83Å
425S81.3Confident77.6Confident57 Ų5750.4 Ų50.440%0.39927%0.268SS..Hα-helixtrans-59.4-31.3175.3-1750000113.2C423 K429C423-S425 VanDerWaalsContact C-N 3.35Å; C423-S425 PolarHBondContact O-N 3.43Å; S425-K429 WeakPolarHBondContact O-CG 3.44Å
426V81Confident76.7Confident8 Ų854.2 Ų54.25%0.04829%0.289CS..Hα-helixtrans-86.3-45.1178.8172.30000111.7A377 I380 K381 H422 C423 A424 A428 K429 I430A377-V426 HydrophobicContact CB-CG2 3.98Å; I380-V426 HydrophobicContact CB-CG1 4.44Å; I380-V426 HydrophobicContact CB-CG2 4.04Å; I380-V426 HydrophobicContact CD1-CG2 3.65Å; I380-V426 HydrophobicContact CG1-CG2 4.45Å; I380-V426 HydrophobicContact CG2-CB 4.1Å; I380-V426 HydrophobicContact CG2-CG1 4.14Å; I380-V426 HydrophobicContact CG2-CG2 3.93Å; K381-V426 HydrophobicContact CB-CG1 4.41Å; H422-V426 PolarHBondContact O-N 3.27Å; C423-V426 PolarHBondContact O-N 2.92Å; C423-V426 VanDerWaalsContact O-N 3.13Å; A424-V426 PolarHBondContact O-N 3.1Å; V426-A428 VanDerWaalsContact C-N 3.32Å; V426-A428 PolarHBondContact O-N 2.87Å; V426-K429 PolarHBondContact O-N 3.16Å; V426-K429 VanDerWaalsContact O-N 3.15Å; V426-I430 HydrophobicContact CG1-CD1 3.53Å; V426-I430 HydrophobicContact CG1-CG1 4.48Å; V426-I430 WeakPolarHBondContact O-CG1 3.41Å; V426-I430 PolarHBondContact O-N 3.01Å
427I77.9Confident75.8Confident1 Ų155.8 Ų55.81%0.00530%0.3CS..Hα-helixtrans-63.6-38.8178.2-62.5162.4000110.9L385 L388 C423 A424 K429 I430 R431 Y440 Y444 L451 V455L385-I427 HydrophobicContact CD2-CD1 3.91Å; L385-I427 HydrophobicContact CD2-CG1 3.76Å; L388-I427 HydrophobicContact CD2-CD1 4.42Å; C423-I427 HydrophobicContact CB-CD1 4.21Å; C423-I427 VanDerWaalsContact O-CG1 3.28Å; C423-I427 WeakPolarHBondContact O-CG1 3.48Å; C423-I427 PolarHBondContact O-N 2.66Å; A424-I427 PolarHBondContact O-N 2.98Å; I427-K429 PolarHBondContact O-N 3.25Å; I427-K429 VanDerWaalsContact O-N 3.12Å; I427-I430 PolarHBondContact O-N 3.12Å; I427-R431 HydrophobicContact CG2-CG 4.34Å; I427-R431 PolarHBondContact O-N 3.43Å; I427-Y440 HydrophobicContact CG2-CE1 3.75Å; I427-Y444 HydrophobicContact CD1-CE1 4.44Å; I427-Y444 HydrophobicContact CD1-CE2 3.96Å; I427-L451 HydrophobicContact CD1-CD2 4.36Å; I427-V455 HydrophobicContact CB-CG2 4.05Å; I427-V455 HydrophobicContact CG2-CG2 4.11Å
428A76.6Confident74.7Confident19 Ų1956.9 Ų56.916%0.15730%0.297CS..Hα-helixtrans-56.1-28175.900000113.8A424 V426 V455 R459A424-A428 WeakPolarHBondContact O-CB 3.3Å; A424-A428 PolarHBondContact O-N 3.08Å; V426-A428 VanDerWaalsContact C-N 3.32Å; V426-A428 PolarHBondContact O-N 2.87Å; A428-V455 HydrophobicContact CB-CG1 4.04Å; A428-R459 HydrophobicContact CB-CG 3.99Å; A428-R459 PolarHBondContact O-NE 3.39Å
429K77.9Confident73.7Confident165 Ų16561 Ų6172%0.71732%0.316SS*.Hα-helixtrans-92.1-19.2177.2-64.4177.2-178.1-177.20113.9S425 V426 I427S425-K429 WeakPolarHBondContact O-CG 3.44Å; V426-K429 PolarHBondContact O-N 3.16Å; V426-K429 VanDerWaalsContact O-N 3.15Å; I427-K429 PolarHBondContact O-N 3.25Å; I427-K429 VanDerWaalsContact O-N 3.12Å
430I74.7Confident72.9Confident74 Ų7460.9 Ų60.938%0.37932%0.315SS..Hα-helixtrans-94.3-41.8-175.7-68.4166.9000111.7K381 L385 V426 I427K381-I430 HydrophobicContact CB-CD1 4.14Å; K381-I430 HydrophobicContact CD-CD1 3.71Å; K381-I430 HydrophobicContact CD-CG1 4.39Å; K381-I430 HydrophobicContact CG-CD1 3.72Å; L385-I430 HydrophobicContact CD1-CD1 4.03Å; V426-I430 HydrophobicContact CG1-CD1 3.53Å; V426-I430 HydrophobicContact CG1-CG1 4.48Å; V426-I430 WeakPolarHBondContact O-CG1 3.41Å; V426-I430 PolarHBondContact O-N 3.01Å; I427-I430 PolarHBondContact O-N 3.12Å
431R72.1Confident72.1Confident57 Ų5767.4 Ų67.422%0.21534%0.339CS..  trans-83.7144.1175.8-70-163.7-174.7-142-1.8110.8I427 D443 R459I427-R431 HydrophobicContact CG2-CG 4.34Å; I427-R431 PolarHBondContact O-N 3.43Å; R431-D443 IonicContact CZ-OD2 2.65Å; R431-D443 IonicContact NH1-OD2 3.62Å; R431-D443 IonicContact NH2-OD2 2.83Å; R431-D443 PolarHBondContact NH2-OD2 3.48Å; R431-R459 PolarHBondContact O-NH2 3.36Å
432P63.8Low71.2Confident106 Ų10667.1 Ų67.169%0.68835%0.348SS*.  trans-71.1-170.9155.433.3-34.3000110.6R459P432-R459 PolarHBondContact O-NH2 2.93Å
433Q58.3Low70.5Confident166 Ų16669.3 Ų69.378%0.77636%0.361SS*.SBendtrans-83.4157.3165.2-67.8176.8-10.800109.9
434P56.8Low69.9Low107 Ų10770.4 Ų70.470%0.69537%0.365SS*.  cis-92157.5-0.136.3-34.7000114N436P434-N436 PolarHBondContact O-N 3.26Å
435D65.1Low69.5Low28 Ų2871.6 Ų71.615%0.1538%0.378CS..  trans-87.1100.1171.8-67.2-42.9000110.7Y440 M456 R459D435-Y440 HydrophobicContact CB-CE2 4.04Å; D435-Y440 PolarHBondContact OD1-OH 3.46Å; D435-M456 HydrophobicContact CB-CE 3.88Å; D435-R459 IonicContact OD1-CZ 3.22Å; D435-R459 IonicContact OD1-NH1 2.65Å; D435-R459 PolarHBondContact OD1-NH1 3.08Å; D435-R459 IonicContact OD1-NH2 2.61Å; D435-R459 IonicContact OD2-CZ 2.84Å; D435-R459 IonicContact OD2-NH1 2.72Å; D435-R459 PolarHBondContact OD2-NH1 2.77Å
436N67.6Low69Low80 Ų8072.5 Ų72.543%0.42837%0.373SS..  trans-97.9121.7177.3-171.4-4.7000111.5P434 E438 Q439 Y440P434-N436 PolarHBondContact O-N 3.26Å; N436-E438 VanDerWaalsContact C-N 3.33Å; N436-E438 PolarHBondContact O-N 3.16Å; N436-Q439 HydrophobicContact CB-CG 4.24Å; N436-Q439 WeakPolarHBondContact O-CB 3.48Å; N436-Q439 PolarHBondContact O-N 2.54Å; N436-Y440 WeakPolarHBondContact O-CD2 3.47Å; N436-Y440 PolarHBondContact O-N 3.29Å
437V67.7Low68.7Low55 Ų5572.2 Ų72.233%0.33337%0.371SS..Hα-helixtrans-56.5-43.7-173.2179.50000112.1Q439 Y440 R441 P449V437-Q439 VanDerWaalsContact C-N 3.31Å; V437-Q439 PolarHBondContact O-N 3.17Å; V437-Y440 PolarHBondContact O-N 2.81Å; V437-R441 WeakPolarHBondContact O-CB 3.45Å; V437-R441 PolarHBondContact O-N 2.89Å; V437-P449 HydrophobicContact CG1-CB 4.16Å; V437-P449 HydrophobicContact CG1-CG 4.22Å
438E62.4Low68.4Low94 Ų9472.1 Ų72.144%0.43937%0.371SS..Hα-helixtrans-63.2-33179.1-93.344.4-117.400113.1N436 R441 T442N436-E438 VanDerWaalsContact C-N 3.33Å; N436-E438 PolarHBondContact O-N 3.16Å; E438-R441 WeakPolarHBondContact O-CB 3.45Å; E438-R441 PolarHBondContact O-N 3.42Å; E438-R441 WeakPolarHBondContact OE1-CD 3.34Å; E438-R441 IonicContact OE1-CZ 2.69Å; E438-R441 IonicContact OE1-NH1 3.85Å; E438-R441 PolarHBondContact OE1-NH1 3.14Å; E438-T442 PolarHBondContact O-N 3.2Å; E438-T442 PolarHBondContact O-OG1 2.98Å
439Q65.9Low68.3Low95 Ų9573.7 Ų73.744%0.44438%0.379SS..Hα-helixtrans-67.9-47.4173.4-68-176.9-7.900111.2N436 V437 R441 T442 D443N436-Q439 HydrophobicContact CB-CG 4.24Å; N436-Q439 WeakPolarHBondContact O-CB 3.48Å; N436-Q439 PolarHBondContact O-N 2.54Å; V437-Q439 VanDerWaalsContact C-N 3.31Å; V437-Q439 PolarHBondContact O-N 3.17Å; Q439-R441 PolarHBondContact O-N 2.8Å; Q439-T442 PolarHBondContact O-N 3.07Å; Q439-T442 VanDerWaalsContact O-N 3.13Å; Q439-D443 WeakPolarHBondContact O-CB 3.26Å; Q439-D443 VanDerWaalsContact O-CG 3.31Å; Q439-D443 PolarHBondContact O-N 3.37Å; Q439-D443 VanDerWaalsContact O-OD2 3.06Å
440Y67.6Low68.3Low1 Ų170.1 Ų70.10%0.00437%0.366CS..Hα-helixtrans-59.8-30.8175.3-80.2-104.1000112I427 D435 N436 V437 Y444 G448 L451 C452 V455I427-Y440 HydrophobicContact CG2-CE1 3.75Å; D435-Y440 HydrophobicContact CB-CE2 4.04Å; D435-Y440 PolarHBondContact OD1-OH 3.46Å; N436-Y440 WeakPolarHBondContact O-CD2 3.47Å; N436-Y440 PolarHBondContact O-N 3.29Å; V437-Y440 PolarHBondContact O-N 2.81Å; Y440-Y444 AromaticContact CD1-CD2 3.77Å; Y440-Y444 HydrophobicContact CD1-CD2 3.77Å; Y440-Y444 AromaticContact CD1-CE2 3.75Å; Y440-Y444 HydrophobicContact CD1-CE2 3.75Å; Y440-Y444 HydrophobicContact CE1-CE2 4.16Å; Y440-Y444 HydrophobicContact CG-CD2 4.33Å; Y440-Y444 HydrophobicContact CG-CE2 4.41Å; Y440-Y444 WeakPolarHBondContact O-CA 3.47Å; Y440-Y444 WeakPolarHBondContact O-CB 3.33Å; Y440-Y444 PolarHBondContact O-N 2.92Å; Y440-G448 WeakPolarHBondContact CB-O 3.44Å; Y440-G448 WeakPolarHBondContact O-CA 3.43Å; Y440-L451 HydrophobicContact CD1-CB 4.19Å; Y440-C452 HydrophobicContact CD1-CB 4.37Å; Y440-C452 HydrophobicContact CD2-CB 4.39Å; Y440-C452 HydrophobicContact CG-CB 4.16Å; Y440-V455 HydrophobicContact CE1-CG2 4.06Å
441R68.3Low68.4Low144 Ų14466.6 Ų66.654%0.54335%0.348SS..Hα-helixtrans-70.6-41.1175.2-164.3-177.1-160.3153.13112.7V437 E438 Q439 G445V437-R441 WeakPolarHBondContact O-CB 3.45Å; V437-R441 PolarHBondContact O-N 2.89Å; E438-R441 WeakPolarHBondContact O-CB 3.45Å; E438-R441 PolarHBondContact O-N 3.42Å; E438-R441 WeakPolarHBondContact OE1-CD 3.34Å; E438-R441 IonicContact OE1-CZ 2.69Å; E438-R441 IonicContact OE1-NH1 3.85Å; E438-R441 PolarHBondContact OE1-NH1 3.14Å; Q439-R441 PolarHBondContact O-N 2.8Å; R441-G445 WeakPolarHBondContact O-CA 3.31Å; R441-G445 PolarHBondContact O-N 3.27Å
442T66Low68.5Low119 Ų11964 Ų6473%0.7334%0.339SS*.Hα-helixtrans-66.9-45.3173.3-61.40000111.6E438 Q439E438-T442 PolarHBondContact O-N 3.2Å; E438-T442 PolarHBondContact O-OG1 2.98Å; Q439-T442 PolarHBondContact O-N 3.07Å; Q439-T442 VanDerWaalsContact O-N 3.13Å
443D66.9Low69.4Low77 Ų7761.3 Ų61.341%0.41232%0.323SS..Hα-helixtrans-81.6-28.2-171.8-62.8-43.9000113.8R431 Q439R431-D443 IonicContact CZ-OD2 2.65Å; R431-D443 IonicContact NH1-OD2 3.62Å; R431-D443 IonicContact NH2-OD2 2.83Å; R431-D443 PolarHBondContact NH2-OD2 3.48Å; Q439-D443 WeakPolarHBondContact O-CB 3.26Å; Q439-D443 VanDerWaalsContact O-CG 3.31Å; Q439-D443 PolarHBondContact O-N 3.37Å; Q439-D443 VanDerWaalsContact O-OD2 3.06Å
444Y68.4Low70.3Confident24 Ų2456.2 Ų56.29%0.09430%0.298CS..Hα-helixtrans-129.37.7-174.5-48-60.5000114.5L385 L388 I427 Y440 L447 L451L385-Y444 HydrophobicContact CD2-CE1 4.39Å; L388-Y444 HydrophobicContact CB-CD1 4.25Å; L388-Y444 HydrophobicContact CD2-CD1 3.83Å; L388-Y444 HydrophobicContact CD2-CE1 4.35Å; L388-Y444 HydrophobicContact CD2-CG 4.22Å; L388-Y444 HydrophobicContact CG-CD1 4.35Å; I427-Y444 HydrophobicContact CD1-CE1 4.44Å; I427-Y444 HydrophobicContact CD1-CE2 3.96Å; Y440-Y444 AromaticContact CD1-CD2 3.77Å; Y440-Y444 HydrophobicContact CD1-CD2 3.77Å; Y440-Y444 AromaticContact CD1-CE2 3.75Å; Y440-Y444 HydrophobicContact CD1-CE2 3.75Å; Y440-Y444 HydrophobicContact CE1-CE2 4.16Å; Y440-Y444 HydrophobicContact CG-CD2 4.33Å; Y440-Y444 HydrophobicContact CG-CE2 4.41Å; Y440-Y444 WeakPolarHBondContact O-CA 3.47Å; Y440-Y444 WeakPolarHBondContact O-CB 3.33Å; Y440-Y444 PolarHBondContact O-N 2.92Å; Y444-L447 PolarHBondContact O-N 3.33Å; Y444-L451 HydrophobicContact CD2-CD1 4Å; Y444-L451 HydrophobicContact CG-CD1 3.85Å
445G74.1Confident71.4Confident27 Ų2751.1 Ų51.128%0.27827%0.265SS..G310 helixtrans61-133.2173.200000113.9R441 L447 G448R441-G445 WeakPolarHBondContact O-CA 3.31Å; R441-G445 PolarHBondContact O-N 3.27Å; G445-L447 PolarHBondContact O-N 2.9Å; G445-G448 PolarHBondContact O-N 2.85Å
446Y70.1Confident72.1Confident76 Ų7654 Ų5430%0.29828%0.279SS..G310 helixtrans-56.3-32.1-178-179.3-108.3000113.6I395 K396 M399 D400 G448I395-Y446 HydrophobicContact CG2-CE1 4.44Å; K396-Y446 HydrophobicContact CB-CD1 3.76Å; K396-Y446 HydrophobicContact CB-CD2 3.97Å; K396-Y446 HydrophobicContact CB-CE1 3.88Å; K396-Y446 HydrophobicContact CB-CE2 4.05Å; K396-Y446 HydrophobicContact CB-CG 3.78Å; K396-Y446 HydrophobicContact CD-CD2 3.54Å; K396-Y446 HydrophobicContact CD-CE2 3.8Å; K396-Y446 HydrophobicContact CD-CG 4.08Å; K396-Y446 HydrophobicContact CG-CD1 4.33Å; K396-Y446 HydrophobicContact CG-CD2 3.67Å; K396-Y446 HydrophobicContact CG-CE1 4.25Å; K396-Y446 HydrophobicContact CG-CE2 3.54Å; K396-Y446 HydrophobicContact CG-CG 4.04Å; M399-Y446 HydrophobicContact SD-CE1 4.14Å; D400-Y446 PolarHBondContact OD1-OH 3.35Å; Y446-G448 VanDerWaalsContact C-N 3.32Å
447L74.5Confident72.8Confident1 Ų155.6 Ų55.61%0.00528%0.282CS..G310 helixtrans-78.8-14.5178.6-64.7175.8000113.1L388 I395 Q416 L419 Y444 G445 M450 L451L388-L447 HydrophobicContact CD1-CD1 3.65Å; L388-L447 HydrophobicContact CG-CD1 4.21Å; I395-L447 HydrophobicContact CD1-CD1 4.43Å; Q416-L447 HydrophobicContact CG-CD2 3.91Å; L419-L447 HydrophobicContact CD1-CD1 4.46Å; Y444-L447 PolarHBondContact O-N 3.33Å; G445-L447 PolarHBondContact O-N 2.9Å; L447-M450 PolarHBondContact O-N 3.35Å; L447-L451 HydrophobicContact CB-CD1 3.73Å; L447-L451 HydrophobicContact CB-CG 4.17Å; L447-L451 WeakPolarHBondContact O-CB 3.36Å; L447-L451 VanDerWaalsContact O-CG 3.28Å; L447-L451 WeakPolarHBondContact O-CG 3.35Å; L447-L451 PolarHBondContact O-N 3.41Å
448G72.6Confident73.3Confident0 Ų054.2 Ų54.20%028%0.276CS..Hα-helixtrans-50.2-57.2-173.100000115.4Y440 G445 Y446 M450 L451 C452Y440-G448 WeakPolarHBondContact CB-O 3.44Å; Y440-G448 WeakPolarHBondContact O-CA 3.43Å; G445-G448 PolarHBondContact O-N 2.85Å; Y446-G448 VanDerWaalsContact C-N 3.32Å; G448-M450 VanDerWaalsContact C-N 3.33Å; G448-M450 PolarHBondContact O-N 3.21Å; G448-L451 PolarHBondContact O-N 2.97Å; G448-C452 PolarHBondContact O-N 2.88Å
449P74.4Confident74.1Confident52 Ų5252 Ų5234%0.33826%0.264SS..Hα-helixtrans-62-37.9179.9-2535.5000113.5V437 C452 S453V437-P449 HydrophobicContact CG1-CB 4.16Å; V437-P449 HydrophobicContact CG1-CG 4.22Å; P449-C452 PolarHBondContact O-N 2.95Å; P449-S453 PolarHBondContact O-N 3.2Å; P449-S453 VanDerWaalsContact O-N 3.16Å
450M76.3Confident74.9Confident90 Ų9051.5 Ų51.544%0.44327%0.268SS..Hα-helixtrans-69.4-40.6177.6-68-66.1-82.200111.7L420 L447 G448 S453 H454L420-M450 HydrophobicContact CD1-CB 4.08Å; L420-M450 HydrophobicContact CD1-CE 4.22Å; L420-M450 HydrophobicContact CD2-CB 3.67Å; L447-M450 PolarHBondContact O-N 3.35Å; G448-M450 VanDerWaalsContact C-N 3.33Å; G448-M450 PolarHBondContact O-N 3.21Å; M450-S453 PolarHBondContact O-N 3.02Å; M450-H454 PolarHBondContact O-CD2 3.36Å; M450-H454 PolarHBondContact O-N 3.33Å
451L78.1Confident75.5Confident0 Ų057.6 Ų57.60%030%0.296CS..Hα-helixtrans-61.3-43172.6-74.3163.2000111.1L388 L420 C423 I427 Y440 Y444 L447 G448 S453 H454 V455L388-L451 HydrophobicContact CD2-CD1 3.57Å; L388-L451 HydrophobicContact CD2-CD2 4.29Å; L388-L451 HydrophobicContact CG-CD1 4.13Å; L420-L451 HydrophobicContact CD2-CB 4.46Å; L420-L451 HydrophobicContact CD2-CD2 3.78Å; L420-L451 HydrophobicContact CD2-CG 3.76Å; C423-L451 HydrophobicContact CB-CD2 3.97Å; I427-L451 HydrophobicContact CD1-CD2 4.36Å; Y440-L451 HydrophobicContact CD1-CB 4.19Å; Y444-L451 HydrophobicContact CD2-CD1 4Å; Y444-L451 HydrophobicContact CG-CD1 3.85Å; L447-L451 HydrophobicContact CB-CD1 3.73Å; L447-L451 HydrophobicContact CB-CG 4.17Å; L447-L451 WeakPolarHBondContact O-CB 3.36Å; L447-L451 VanDerWaalsContact O-CG 3.28Å; L447-L451 WeakPolarHBondContact O-CG 3.35Å; L447-L451 PolarHBondContact O-N 3.41Å; G448-L451 PolarHBondContact O-N 2.97Å; L451-S453 PolarHBondContact O-N 3.42Å; L451-H454 CarbonylContact O-C 3.54Å; L451-H454 PolarHBondContact O-N 3.34Å; L451-V455 WeakPolarHBondContact O-CB 3.45Å; L451-V455 WeakPolarHBondContact O-CG2 3.35Å; L451-V455 PolarHBondContact O-N 2.9Å
452C74.3Confident76Confident2 Ų253.4 Ų53.41%0.01429%0.292CS..Hα-helixtrans-58.8-47.3177.1-168.10000111.4Y440 G448 P449 H454 V455 M456Y440-C452 HydrophobicContact CD1-CB 4.37Å; Y440-C452 HydrophobicContact CD2-CB 4.39Å; Y440-C452 HydrophobicContact CG-CB 4.16Å; G448-C452 PolarHBondContact O-N 2.88Å; P449-C452 PolarHBondContact O-N 2.95Å; C452-H454 VanDerWaalsContact C-N 3.34Å; C452-H454 PolarHBondContact O-N 3.41Å; C452-V455 PolarHBondContact O-N 2.99Å; C452-M456 WeakPolarHBondContact O-CG 3.45Å; C452-M456 PolarHBondContact O-N 3.34Å
453S80.9Confident76.6Confident50 Ų5050.2 Ų50.235%0.3528%0.278SS..Hα-helixtrans-60.3-40.7174.5-173.10000112.6P449 M450 L451 K457P449-S453 PolarHBondContact O-N 3.2Å; P449-S453 VanDerWaalsContact O-N 3.16Å; M450-S453 PolarHBondContact O-N 3.02Å; L451-S453 PolarHBondContact O-N 3.42Å; S453-K457 VanDerWaalsContact O-CG 3.28Å; S453-K457 WeakPolarHBondContact O-CG 3.17Å; S453-K457 PolarHBondContact O-N 3.39Å
454H77.3Confident77.2Confident58 Ų5851.1 Ų51.127%0.26928%0.282SS..Hα-helixtrans-72.8-32.8178-84.9-112.1000113.6A424 M450 L451 C452 K457 A458A424-H454 HydrophobicContact CB-CB 3.68Å; M450-H454 PolarHBondContact O-CD2 3.36Å; M450-H454 PolarHBondContact O-N 3.33Å; L451-H454 CarbonylContact O-C 3.54Å; L451-H454 PolarHBondContact O-N 3.34Å; C452-H454 VanDerWaalsContact C-N 3.34Å; C452-H454 PolarHBondContact O-N 3.41Å; H454-K457 PolarHBondContact O-N 3.29Å; H454-A458 VanDerWaalsContact O-CB 3.29Å; H454-A458 WeakPolarHBondContact O-CB 3.38Å; H454-A458 PolarHBondContact O-N 2.98Å
455V80.4Confident77.4Confident0 Ų056.2 Ų56.20%031%0.307CS..Hα-helixtrans-66.8-44.3173.1166.40000110.5A424 I427 A428 Y440 L451 C452 K457 A458 R459A424-V455 HydrophobicContact CB-CG2 3.83Å; I427-V455 HydrophobicContact CB-CG2 4.05Å; I427-V455 HydrophobicContact CG2-CG2 4.11Å; A428-V455 HydrophobicContact CB-CG1 4.04Å; Y440-V455 HydrophobicContact CE1-CG2 4.06Å; L451-V455 WeakPolarHBondContact O-CB 3.45Å; L451-V455 WeakPolarHBondContact O-CG2 3.35Å; L451-V455 PolarHBondContact O-N 2.9Å; C452-V455 PolarHBondContact O-N 2.99Å; V455-K457 PolarHBondContact O-N 3.36Å; V455-A458 PolarHBondContact O-N 3.16Å; V455-R459 HydrophobicContact CG1-CG 4.43Å; V455-R459 WeakPolarHBondContact O-CB 3.44Å; V455-R459 WeakPolarHBondContact O-CG 3.47Å; V455-R459 PolarHBondContact O-N 2.99Å
456M79.4Confident77.1Confident90 Ų9057.7 Ų57.744%0.44332%0.317SS..Hα-helixtrans-58.2-49.2173.7-70.6176175.300111.1D435 C452 A458 R459 T460D435-M456 HydrophobicContact CB-CE 3.88Å; C452-M456 WeakPolarHBondContact O-CG 3.45Å; C452-M456 PolarHBondContact O-N 3.34Å; M456-A458 PolarHBondContact O-N 3.19Å; M456-R459 PolarHBondContact O-N 3.47Å; M456-T460 PolarHBondContact O-N 2.93Å; M456-T460 PolarHBondContact O-OG1 2.98Å; M456-T460 VanDerWaalsContact O-OG1 3.1Å
457K82.9Confident76.8Confident112 Ų11260.5 Ų60.549%0.48733%0.333SS..Hα-helixtrans-57.8-44175.2-71.7166.5-175.5169.40112.6S453 H454 V455 T460 Q461S453-K457 VanDerWaalsContact O-CG 3.28Å; S453-K457 WeakPolarHBondContact O-CG 3.17Å; S453-K457 PolarHBondContact O-N 3.39Å; H454-K457 PolarHBondContact O-N 3.29Å; V455-K457 PolarHBondContact O-N 3.36Å; K457-T460 PolarHBondContact O-N 3.35Å; K457-Q461 WeakPolarHBondContact O-CG 3.2Å; K457-Q461 PolarHBondContact O-N 2.92Å
458A78.8Confident76Confident26 Ų2667.4 Ų67.422%0.21537%0.365CS..Hα-helixtrans-65.3-39.5178.500000112.3H454 V455 M456 Q461 A462H454-A458 VanDerWaalsContact O-CB 3.29Å; H454-A458 WeakPolarHBondContact O-CB 3.38Å; H454-A458 PolarHBondContact O-N 2.98Å; V455-A458 PolarHBondContact O-N 3.16Å; M456-A458 PolarHBondContact O-N 3.19Å; A458-Q461 PolarHBondContact O-N 3.35Å; A458-A462 WeakPolarHBondContact O-CB 3.44Å; A458-A462 PolarHBondContact O-N 3.46Å
459R78.1Confident75.1Confident49 Ų4972 Ų7219%0.18539%0.393CS..Hα-helixtrans-65-42.4174.1-74.8177.3167.9173.6-2.4111.7A428 R431 P432 D435 V455 M456 A462 A463A428-R459 HydrophobicContact CB-CG 3.99Å; A428-R459 PolarHBondContact O-NE 3.39Å; R431-R459 PolarHBondContact O-NH2 3.36Å; P432-R459 PolarHBondContact O-NH2 2.93Å; D435-R459 IonicContact OD1-CZ 3.22Å; D435-R459 IonicContact OD1-NH1 2.65Å; D435-R459 PolarHBondContact OD1-NH1 3.08Å; D435-R459 IonicContact OD1-NH2 2.61Å; D435-R459 IonicContact OD2-CZ 2.84Å; D435-R459 IonicContact OD2-NH1 2.72Å; D435-R459 PolarHBondContact OD2-NH1 2.77Å; V455-R459 HydrophobicContact CG1-CG 4.43Å; V455-R459 WeakPolarHBondContact O-CB 3.44Å; V455-R459 WeakPolarHBondContact O-CG 3.47Å; V455-R459 PolarHBondContact O-N 2.99Å; M456-R459 PolarHBondContact O-N 3.47Å; R459-A462 PolarHBondContact O-N 3.02Å; R459-A463 WeakPolarHBondContact O-CB 3.37Å; R459-A463 PolarHBondContact O-N 2.97Å
460T82.6Confident73.7Confident84 Ų8475.4 Ų75.452%0.51541%0.408SS..Hα-helixtrans-62.6-42.4174-55.30000112M456 K457 A463 L464M456-T460 PolarHBondContact O-N 2.93Å; M456-T460 PolarHBondContact O-OG1 2.98Å; M456-T460 VanDerWaalsContact O-OG1 3.1Å; K457-T460 PolarHBondContact O-N 3.35Å; T460-A463 PolarHBondContact O-N 3.39Å; T460-L464 HydrophobicContact CG2-CD1 4.21Å; T460-L464 WeakPolarHBondContact O-CG 2.8Å; T460-L464 PolarHBondContact O-N 2.94Å
461Q82Confident72.3Confident128 Ų12881.2 Ų81.260%0.59843%0.425SS*.Hα-helixtrans-63.9-41.8175.4-75.4-178.9-14.500112.5K457 A458 A463 L464 Q465K457-Q461 WeakPolarHBondContact O-CG 3.2Å; K457-Q461 PolarHBondContact O-N 2.92Å; A458-Q461 PolarHBondContact O-N 3.35Å; Q461-A463 PolarHBondContact O-N 3.05Å; Q461-L464 PolarHBondContact O-N 3.1Å; Q461-Q465 WeakPolarHBondContact O-CG 3.32Å; Q461-Q465 PolarHBondContact O-N 3.45Å
462A77.8Confident70.7Confident56 Ų5687.1 Ų87.146%0.46346%0.461SS..Hα-helixtrans-63-40.2175.300000112.2A458 R459 Q465 A466A458-A462 WeakPolarHBondContact O-CB 3.44Å; A458-A462 PolarHBondContact O-N 3.46Å; R459-A462 PolarHBondContact O-N 3.02Å; A462-Q465 PolarHBondContact O-N 3.2Å; A462-A466 PolarHBondContact O-N 3.35Å
463A78.4Confident69Low53 Ų5392.5 Ų92.544%0.43849%0.494SS..Hα-helixtrans-64.5-41.8175.300000112.4R459 T460 Q461 A466 Q467R459-A463 WeakPolarHBondContact O-CB 3.37Å; R459-A463 PolarHBondContact O-N 2.97Å; T460-A463 PolarHBondContact O-N 3.39Å; Q461-A463 PolarHBondContact O-N 3.05Å; A463-A466 PolarHBondContact O-N 2.87Å; A463-Q467 WeakPolarHBondContact O-CG 3.47Å; A463-Q467 PolarHBondContact O-N 3.24Å
464L80.3Confident67.1Low95 Ų9597.1 Ų97.150%0.49751%0.514SS..Hα-helixtrans-64.3-39.9175.7-72.6167.6000112.3T460 Q461 Q467 Q468T460-L464 HydrophobicContact CG2-CD1 4.21Å; T460-L464 WeakPolarHBondContact O-CG 2.8Å; T460-L464 PolarHBondContact O-N 2.94Å; Q461-L464 PolarHBondContact O-N 3.1Å; L464-Q467 PolarHBondContact O-N 2.88Å; L464-Q468 PolarHBondContact O-N 2.79Å
465Q72.9Confident65.2Low132 Ų132100.2 Ų100.262%0.61754%0.537SS*.Hα-helixtrans-65.1-42.4174.8-73.9178.3-11.400111.8Q461 A462 Q467 Q468 V469Q461-Q465 WeakPolarHBondContact O-CG 3.32Å; Q461-Q465 PolarHBondContact O-N 3.45Å; A462-Q465 PolarHBondContact O-N 3.2Å; Q465-Q467 VanDerWaalsContact C-N 3.31Å; Q465-Q467 PolarHBondContact O-N 2.95Å; Q465-Q468 PolarHBondContact O-N 2.8Å; Q465-V469 PolarHBondContact O-N 3.34Å; Q465-V469 VanDerWaalsContact O-N 3.16Å
466A67.4Low63.1Low58 Ų58107.8 Ų107.848%0.47958%0.576SS.*Hα-helixtrans-61.1-38.8173.900000112.4A462 A463 N470A462-A466 PolarHBondContact O-N 3.35Å; A463-A466 PolarHBondContact O-N 2.87Å; A466-N470 PolarHBondContact O-N 3.22Å
467Q62.8Low60.8Low135 Ų135110.1 Ų110.163%0.63160%0.596SS**Hα-helixtrans-67.9-31.9174.8-75.7-177.1-16.100113.6A463 L464 Q465A463-Q467 WeakPolarHBondContact O-CG 3.47Å; A463-Q467 PolarHBondContact O-N 3.24Å; L464-Q467 PolarHBondContact O-N 2.88Å; Q465-Q467 VanDerWaalsContact C-N 3.31Å; Q465-Q467 PolarHBondContact O-N 2.95Å
468Q58.3Low58.6Low145 Ų145114 Ų11468%0.67862%0.616SS**Hα-helixtrans-68.9-43.6174.5-78.4-172.4-37.400112.2L464 Q465 N470 R471 T472L464-Q468 PolarHBondContact O-N 2.79Å; Q465-Q468 PolarHBondContact O-N 2.8Å; Q468-N470 VanDerWaalsContact C-N 3.31Å; Q468-N470 PolarHBondContact O-N 3.22Å; Q468-R471 WeakPolarHBondContact O-CB 3.46Å; Q468-R471 PolarHBondContact O-N 2.99Å; Q468-T472 PolarHBondContact O-OG1 3.12Å
469V52.9Low56.4Low98 Ų98118.7 Ų118.759%0.59464%0.644SS**Hα-helixtrans-61.1-39.4178.6176.60000111.6Q465 R471 T472Q465-V469 PolarHBondContact O-N 3.34Å; Q465-V469 VanDerWaalsContact O-N 3.16Å; V469-R471 PolarHBondContact O-N 3.44Å; V469-T472 PolarHBondContact O-OG1 2.85Å
470N46.2Very low54.1Low122 Ų122127.7 Ų127.765%0.65268%0.678SS**THydrogen-bonded Turntrans-67.5-11.9175-83.13.1000114.3A466 Q468A466-N470 PolarHBondContact O-N 3.22Å; Q468-N470 VanDerWaalsContact C-N 3.31Å; Q468-N470 PolarHBondContact O-N 3.22Å
471R46.4Very low51.6Low213 Ų213129 Ų12980%0.80469%0.69SS**THydrogen-bonded Turntrans-95.7-17.7-175.7-138173-171.9167.92.5114Q468 V469Q468-R471 WeakPolarHBondContact O-CB 3.46Å; Q468-R471 PolarHBondContact O-N 2.99Å; V469-R471 PolarHBondContact O-N 3.44Å
472T43.8Very low49.2Very low123 Ų123129 Ų12976%0.75570%0.699SS**SBendtrans-85.4-8177.610.60000114.4Q468 V469Q468-T472 PolarHBondContact O-OG1 3.12Å; V469-T472 PolarHBondContact O-OG1 2.85Å
473T39.8Very low46.9Very low116 Ų116134.7 Ų134.771%0.71272%0.721SS**SBendtrans-105.5-1.7-174.6-45.90000113.8
474L40.5Very low44.6Very low146 Ų146137.7 Ų137.776%0.76474%0.739SS**  trans-124.748.5-169.9-68177.1000114.5
475T37.4Very low42.2Very low123 Ų123140.1 Ų140.176%0.75576%0.757SS**  trans-142.479.8170.9-35.40000113.4
476I37.3Very low40.1Very low159 Ų159138.8 Ų138.882%0.81576%0.762SS**  trans-179108.4140.5-95.5154.3000108.5
477T31.1Very low38.4Very low140 Ų140144.5 Ų144.586%0.85978%0.779SS**  trans169.979.315124.40000108.9
478Q35.1Very low36.8Very low194 Ų194143.1 Ų143.191%0.90778%0.784SS**PPolyproline II helixtrans-89.6124163.5-79.2-172.7-14.200109.2
479P33.6Very low35.4Very low123 Ų123139.9 Ų139.980%0.79979%0.79SS**PPolyproline II helixtrans-73.6145.2164.231.2-32.4000110.3
480R29.2Very low34.4Very low239 Ų239143.4 Ų143.490%0.90280%0.804SS**PPolyproline II helixtrans-73.3125.8-175.9175.6-177.9-177.6156.2-1.7111.8
481S30.8Very low33.7Very low111 Ų111143.6 Ų143.678%0.77682%0.815SS**  trans-107.9140.9166.5460000111.3
482T31Very low33Very low127 Ų127136.9 Ų136.978%0.77981%0.812SS**  trans-92.4141.9179.244.20000111.3
483L30.7Very low32.4Very low176 Ų176137.5 Ų137.592%0.92182%0.821SS**  trans-129.8146.8170.3-86.3169.4000111.4
484S29.1Very low31.9Very low117 Ų117135.6 Ų135.682%0.81883%0.825SS**  trans-98.2169.9-173.648.40000112.9
485V29.7Very low31.4Very low145 Ų145132.2 Ų132.288%0.87983%0.825SS**  trans-104130.7-171.2176.30000112.6
486S29.2Very low31.8Very low104 Ų104131.9 Ų131.973%0.72783%0.825SS**  trans-163.3123.3155.137.30000107.6
487Q32Very low31.5Very low179 Ų179135 Ų13584%0.83683%0.827SS**  60.613686.2-71.8-149.852.900114.5
488S29.5Very low31.7Very low105 Ų105134.6 Ų134.673%0.73482%0.824SS**  cis-165.7158.3-7.7-84.40000109.2
489G28.7Very low31.9Very low77 Ų77131.6 Ų131.679%0.79482%0.822SS**  trans175.6155.2175.600000115.1
490L31.6Very low31.7Very low172 Ų172131.3 Ų131.390%0.90182%0.822SS**  trans-141.3163.9-165.2-89158.2000115.1
491S31.2Very low32Very low127 Ų127126.7 Ų126.789%0.88881%0.814SS**  trans74.2146.7169.176.90000118.5
492G30.9Very low32Very low71 Ų71128 Ų12873%0.73281%0.811SS**  cis169.6151.9-1300000116.1
493S31.5Very low31.9Very low136 Ų136130.5 Ų130.595%0.95181%0.811SS**  trans70.2145.2162.5-156.20000121.1
494G30.5Very low32Very low77 Ų77128 Ų12879%0.79480%0.803SS**  trans108.298147.600000119.4
495G30.2Very low32.5Very low74 Ų74128.3 Ų128.376%0.76380%0.802SS**  trans-117.4-161.8151.900000110.1
496P45.1Very low32.7Very low116 Ų116126.1 Ų126.175%0.75379%0.793SS**  cis-136.6177.6-3.841.7-25.7000114.8
497R31.6Very low32.7Very low226 Ų226127.2 Ų127.285%0.85380%0.801SS**  173.6123.5127.8-95.1164.8-167.3-146.11.9115.5
498T34.6Very low32.7Very low130 Ų130126.8 Ų126.880%0.79880%0.803SS**  trans44.4118143.857.40000122.8
499P38.5Very low32.6Very low132 Ų132127.4 Ų127.486%0.85780%0.803SS**  trans-109.3172162.940.3-32.3000114.5
500S31Very low32.4Very low116 Ų116131.8 Ų131.881%0.81181%0.807SS**  trans-152.4157.3172.253.90000110.2
501I34.4Very low32.4Very low142 Ų142131.8 Ų131.873%0.72881%0.805SS**  cis-167.3144.1-27.6-163.1171.3000107.9
502I30.9Very low32.4Very low138 Ų138131 Ų13171%0.70880%0.799SS**  trans68.5143.5159-83.2162.7000117.1
503K28Very low33.4Very low181 Ų181132.7 Ų132.779%0.78780%0.797SS**  cis-153.61667.6-133.2167.5-156.8169.20113.1
504V33Very low33.2Very low124 Ų124137.6 Ų137.675%0.75280%0.795SS**  trans-135.6158.5161.7-69.30000109.8
505P40.3Very low33.4Very low122 Ų122139.7 Ų139.779%0.79280%0.795SS**  -143.6166.3100.933.1-14.8000113.5
506S33.6Very low33.2Very low99 Ų99139.7 Ų139.769%0.69280%0.795SS**  cis98.5113.416.1-56.90000116.5
507S30.3Very low32.4Very low128 Ų128141 Ų14190%0.89580%0.8SS**  trans-172.9170.4153.6-850000112.8
508L31.6Very low32.5Very low170 Ų170136.1 Ų136.189%0.8980%0.798SS**  -139.5-176.9-127.5-104.1164.1000117
509T28.2Very low32.2Very low117 Ų117135.9 Ų135.972%0.71880%0.802SS**  trans-99.8165.2-163.7-9.70000116.6
510L24.3Very low31.9Very low170 Ų170138.5 Ų138.589%0.8980%0.802SS**  trans-153.7164.1154.6-142.582.6000112.4
511M29.9Very low31.8Very low172 Ų172138.7 Ų138.785%0.84780%0.801SS**  trans-158.1173.4-174.3-80.5-158.376.100115.3
512S33.2Very low31.6Very low109 Ų109137.1 Ų137.176%0.76280%0.802SS**  trans94.8158.6152.8-129.20000118.4
513P51.8Low32Very low108 Ų108136.3 Ų136.370%0.70181%0.806SS**  cis-136.7161.1-13.722.11.8000118.2
514R26.5Very low32.1Very low239 Ų239133.7 Ų133.790%0.90281%0.808SS**  trans65.5161.9147.9-82.5-166.7169.9-166.8-1.9121.5
515P34.8Very low31.9Very low121 Ų121132.8 Ų132.879%0.78681%0.813SS**  cis-135.7165.3-37.638.2-22.5000114.2
516G25.5Very low31.3Very low74 Ų74132.7 Ų132.776%0.76381%0.811SS**  trans-173.9143.8167.900000115
517T29.6Very low30.9Very low143 Ų143137.8 Ų137.888%0.87782%0.82SS**  trans-154.4168.3175.656.90000109.5
518P33.3Very low31Very low123 Ų123141.7 Ų141.780%0.79982%0.817SS**  -121.9167.2-55.437.6-25.8000111.4
519S28.7Very low30.6Very low125 Ų125141.3 Ų141.387%0.87481%0.814SS**  trans-131.8153.6168.9600000112.3
520Q30.6Very low30.6Very low187 Ų187142.3 Ų142.387%0.87482%0.82SS**PPolyproline II helixtrans-97.4137.6-160.9-170.4-178.619.400112.3
521P30.6Very low30.6Very low120 Ų120142.4 Ų142.478%0.77982%0.818SS**PPolyproline II helixtrans-82134.4171.432.2-32.6000111.6
522S29.8Very low30.5Very low109 Ų109137.7 Ų137.776%0.76281%0.813SS**PPolyproline II helixtrans-94.9155.2170.949.70000111.7
523P37.8Very low30.2Very low122 Ų122138.3 Ų138.379%0.79281%0.812SS**PPolyproline II helixtrans-83.4150-168.232.3-36.1000114.2
524P31Very low29Very low125 Ų125138.3 Ų138.381%0.81282%0.815SS**PPolyproline II helixtrans-77.3154172.632.9-35.1000112.6
525A29.6Very low29.1Very low105 Ų105132.2 Ų132.287%0.86882%0.816SS**PPolyproline II helixtrans-78140.4-174.100000114.1
526T27.9Very low28.7Very low121 Ų121129.8 Ų129.874%0.74281%0.813SS**PPolyproline II helixtrans-82.2141.4172.939.40000112.3
527K25.1Very low28.7Very low206 Ų206131.4 Ų131.490%0.89682%0.819SS**  trans-127.4127.5162.3-77.5-172.2175.2-177.40108.8
528Y30.8Very low28.6Very low209 Ų209129 Ų12982%0.8281%0.814SS**  trans-82.7147.1176.2-72.1-88.7000111.1
529I24.9Very low28.2Very low162 Ų162128 Ų12883%0.83181%0.809SS**  trans-114.8125.8164.8-62.9174000106.2
530V28.2Very low28.1Very low138 Ų138127.3 Ų127.384%0.83680%0.8SS**  trans-115.1132.1170.7179.40000107.7
531M24Very low27.8Very low173 Ų173126.2 Ų126.285%0.85280%0.795SS**  trans-101.1138.4-175.8-170.2178.7-69.500109.9
532G27.6Very low27.6Very low73 Ų73128 Ų12875%0.75379%0.793SS**  trans-152.7149.5178.600000110.8
533T27.4Very low27.4Very low121 Ų121129 Ų12974%0.74279%0.794SS**  trans-125.1135-154.650.80000115.6
534S26.5Very low26.9Very low109 Ų109130.2 Ų130.276%0.76279%0.792SS**  trans58.4131.9142.162.40000122.7
535A27.7Very low26.5Very low111 Ų111130.8 Ų130.892%0.91779%0.794SS**  trans69.5151.415900000118.3
536G25.6Very low26.3Very low70 Ų70133 Ų13372%0.72279%0.79SS**  cis170.8132.9-12.800000115.8
537A26.7Very low26.2Very low107 Ų107132.7 Ų132.788%0.88479%0.793SS**  trans72.4148.6159.300000122.8
538A26.4Very low26.4Very low93 Ų93127.2 Ų127.277%0.76978%0.781SS**  trans7498.5147.300000123.9
539S25.8Very low26.2Very low101 Ų101123.1 Ų123.171%0.70678%0.783SS**  61.9137.2114.8-157.50000124.9
540T26.2Very low26.5Very low111 Ų111123.8 Ų123.868%0.68178%0.782SS**  trans73.7131.3145.525.80000123
541Q25.4Very low26.3Very low165 Ų165123.1 Ų123.177%0.77178%0.784SS**  trans63.7161.4149.5-76.2-179.2-38.600118.4
542Q26.1Very low26.3Very low156 Ų156119.6 Ų119.673%0.72978%0.782SS**  cis-171.1-178.3-35-149.4174.8-6.800107.3
543V24.4Very low26.3Very low131 Ų131121.6 Ų121.679%0.79479%0.785SS**  trans79.5151.1165.6-166.30000118.1
544I27.4Very low27.2Very low147 Ų147121.2 Ų121.275%0.75478%0.784SS**  trans-128.9139.7-177.2-60.8158.1000108.3
545T23.9Very low27.3Very low137 Ų137121.8 Ų121.884%0.8478%0.783SS**  trans-162.1150.2150140000112.1
546L24.9Very low27.4Very low152 Ų152122 Ų12280%0.79677%0.772SS**  trans-109.9173.1171.1-59.793.5000111.2
547S25.9Very low27.6Very low115 Ų115123.4 Ų123.480%0.80477%0.771SS**  trans129153.6136.8-67.50000115.7
548S28.4Very low27.6Very low91 Ų91123.7 Ų123.764%0.63676%0.763SS**  cis-179121.9-35.953.50000109.6
549S26.2Very low27.7Very low122 Ų122125.9 Ų125.985%0.85377%0.766SS**  trans-163151.9173.9580000114.9
550Q32Very low28.5Very low177 Ų177127 Ų12783%0.82777%0.77SS**  cis177.3135.5-47.8-111.4-166.931.500109.2
551S24.6Very low28.7Very low124 Ų124127.4 Ų127.487%0.86778%0.778SS**  trans170.8145.2150.842.40000109.9
552A24.1Very low28.9Very low98 Ų98123.4 Ų123.481%0.8177%0.774SS**  cis-151.4171.2-15.500000110.5
553S26.5Very low29Very low116 Ų116122.7 Ų122.781%0.81178%0.78SS**  trans-112.8-153.2-171.3-32.10000111.3
554P45.4Very low29Very low112 Ų112122.3 Ų122.373%0.72778%0.783SS**  cis-111.4-144.12.526.1-0.7000111.7
555V30.2Very low28.9Very low122 Ų122121.7 Ų121.774%0.73979%0.786SS**  cis-163.2157.18-118.50000106.9
556T29.5Very low29.2Very low114 Ų114123.4 Ų123.470%0.69979%0.789SS**  cis-161.5153.9-17.6-7.90000110.5
557S30.1Very low29.3Very low100 Ų100124.3 Ų124.370%0.69979%0.79SS**  trans61.6159.914770.60000120.6
558T25.5Very low30.1Very low114 Ų114123.9 Ų123.970%0.69978%0.784SS**  cis-165.8153.632.1-26.70000115.4
559V29.7Very low29.8Very low138 Ų138126.8 Ų126.884%0.83679%0.792SS**  trans71.1158.5155.8-80.20000124.3
560P42.1Very low29.8Very low124 Ų124127 Ų12781%0.80579%0.788SS**  trans-143.2-146.4-142.248.5-26.3000119.2
561S30.3Very low29.4Very low120 Ų120126.5 Ų126.584%0.83978%0.782SS**  trans-81.3-166.3-166.4-45.70000117.9
562A30.4Very low29.3Very low82 Ų82128.6 Ų128.668%0.67878%0.783SS**  cis-169166.320.800000118
563T26.8Very low29.5Very low141 Ų141131 Ų13187%0.86578%0.778SS**  trans57138.3146.752.10000126.2
564S26.2Very low30Very low122 Ų122130.5 Ų130.585%0.85377%0.771SS**  trans-170178.9132.764.20000113.3
565T25.2Very low29Very low134 Ų134131 Ų13182%0.82278%0.778SS**  trans-148.8162.2-16754.10000115
566L28.8Very low28.7Very low173 Ų173131.3 Ų131.391%0.90679%0.785SS**  trans-170.8165.6149.1-107.9168.4000114.1
567Q26.9Very low28.5Very low172 Ų172129.3 Ų129.380%0.80479%0.788SS**  trans-153.2-175.1-177.6-115.7-161.924.200109.6
568P42.8Very low28.4Very low105 Ų105131 Ų13168%0.68280%0.8SS**  cis-127.4-167.213.345.4-27.1000113.5
569L23.3Very low28.3Very low153 Ų153128.7 Ų128.780%0.80180%0.798SS**  -172.6140.670.8-172.964.1000114.3
570V24.8Very low28.2Very low127 Ų127130.2 Ų130.277%0.7780%0.801SS**  trans56.381.1161.1179.60000120.4
571K23.7Very low27.4Very low165 Ų165130.9 Ų130.972%0.71780%0.803SS**  trans-7.3132.3130.8-179.5172.2-172.7168.60120.4
572L24Very low27.4Very low168 Ų168129.3 Ų129.388%0.8880%0.797SS**  -156.9153.6121.8-106.3167.2000110.5
573E26.5Very low27.4Very low150 Ų150131.6 Ų131.670%0.70181%0.805SS**  trans-147.7172.9-160.4-96.5-166.2112.600110.9
574P38.2Very low27.5Very low104 Ų104136 Ų13668%0.67581%0.806SS**  cis-138.6166.1-35.737.8-22.5000113.3
575S23.9Very low27.6Very low123 Ų123136.3 Ų136.386%0.8681%0.805SS**  trans-178.770.1138.364.20000113.6
576S25.1Very low27.7Very low128 Ų128138.5 Ų138.590%0.89581%0.808SS**  trans-154.7144.1163.161.80000110.6
577G24.8Very low27.6Very low73 Ų73138.1 Ų138.175%0.75380%0.801SS**  trans-176.1119.8-179.500000114.3
578S27.1Very low27.5Very low136 Ų136139.2 Ų139.295%0.95180%0.803SS**  trans67.6141.9176.9-144.60000116
579G24.7Very low26.8Very low65 Ų65144 Ų14467%0.6781%0.809SS**  cis-168.2169.4-100000112.8
580L26.5Very low26.9Very low169 Ų169143.9 Ų143.989%0.88581%0.808SS**  trans-69.5135.7-178.5-69.6149000112.3
581T25.7Very low27Very low138 Ų138144.1 Ų144.185%0.84781%0.809SS**  171158.4119.533.80000114.1
582A29.6Very low27.1Very low87 Ų87142.3 Ų142.372%0.71981%0.812SS**  trans63.386.9157.300000120.6
583P30.7Very low27.1Very low130 Ų130139.1 Ų139.184%0.84480%0.804SS**PPolyproline II helixtrans-76.7131.8155.832.3-31.7000111.5
584R28.9Very low27.1Very low235 Ų235139.4 Ų139.489%0.88781%0.809SS**PPolyproline II helixtrans-75.4149.5170.8-71176.9176.1161.9-1.5110.8M586R584-M586 PolarHBondContact O-N 2.91Å
585P28.7Very low26.6Very low128 Ų128140.6 Ų140.683%0.83182%0.817SS**PPolyproline II helixtrans-67.5132-176.226.9-34.8000112.6
586M27Very low26.5Very low179 Ų179139.9 Ų139.988%0.88281%0.812SS**PPolyproline II helixtrans-72.6129.4174-67.7177.1171.100111.4R584 K588R584-M586 PolarHBondContact O-N 2.91Å; M586-K588 PolarHBondContact O-N 3.19Å
587Q25.9Very low26.5Very low166 Ų166140 Ų14078%0.77681%0.812SS**  trans-72.2106.8163.5-72.8179-50.200109.4Y589Q587-Y589 PolarHBondContact O-N 2.73Å
588K26Very low26.5Very low194 Ų194141.4 Ų141.484%0.84382%0.817SS**  trans-74.6104.5170.8-71.3-174.2177.2-1780109.7M586 I590M586-K588 PolarHBondContact O-N 3.19Å; K588-I590 PolarHBondContact O-N 3.16Å
589Y27.2Very low26.3Very low205 Ų205140.2 Ų140.280%0.80481%0.809SS**  trans-65.6122.2164.5-76.6-99.2000109.2Q587Q587-Y589 PolarHBondContact O-N 2.73Å
590I26.2Very low26.2Very low152 Ų152142.3 Ų142.378%0.77981%0.814SS**  trans-97.3113.6164.6-64.7177.3000106.8K588 V592K588-I590 PolarHBondContact O-N 3.16Å; I590-V592 HydrophobicContact CG2-CG2 4.24Å; I590-V592 PolarHBondContact O-N 3.39Å
591V25.9Very low26.1Very low132 Ų132141.9 Ų141.980%0.881%0.811SS**  trans-76.9120.4172.9177.40000108.4
592V25.5Very low26Very low126 Ų126142.8 Ų142.876%0.76481%0.806SS**  trans-118.9117.1161-178.90000107I590 L594I590-V592 HydrophobicContact CG2-CG2 4.24Å; I590-V592 PolarHBondContact O-N 3.39Å; V592-L594 PolarHBondContact O-N 3.31Å
593S25.5Very low25.7Very low102 Ų102143.5 Ų143.571%0.71380%0.801SS**  trans-73.5121.3-174.250.70000112
594L26.9Very low25.3Very low155 Ų155145.9 Ų145.981%0.81280%0.798SS**  trans-77130.1161.2-72.1166000109.4V592 S596V592-L594 PolarHBondContact O-N 3.31Å; L594-S596 PolarHBondContact O-N 3.32Å; L594-S596 VanDerWaalsContact O-N 3.11Å
595P26.4Very low25Very low130 Ų130139.6 Ų139.684%0.84479%0.79SS**  trans-7595164.730.4-31.5000109.3
596S23.2Very low24.7Very low108 Ų108137.9 Ų137.976%0.75578%0.782SS**  trans-76.5143.2167.9-720000111L594L594-S596 PolarHBondContact O-N 3.32Å; L594-S596 VanDerWaalsContact O-N 3.11Å
597S24.6Very low24.6Very low129 Ų129136.5 Ų136.590%0.90278%0.783SS**  trans-60.1142.1-178.4-45.40000113.4
598A24.1Very low24.3Very low103 Ų103136.1 Ų136.185%0.85179%0.785SS**  trans-128.3137.6164.900000109.7
599S22.4Very low25Very low112 Ų112132.4 Ų132.478%0.78378%0.781SS**  trans-135.6123.2-171.856.50000112.4
600S23.3Very low24.8Very low109 Ų109127.9 Ų127.976%0.76278%0.78SS**  trans-159.3131.9162.2-72.10000106
601L25Very low24.8Very low160 Ų160126 Ų12684%0.83878%0.78SS**  62.2127.765.1-65.9159.8000110.7
602E23.9Very low24.8Very low157 Ų157127.5 Ų127.573%0.73478%0.782SS**  cis-159.9151.428.7-137.3-175.6178.400115
603T22.1Very low24.8Very low102 Ų102126.5 Ų126.563%0.62678%0.78SS**  trans62146.916266.40000119.2
604K22.5Very low24.8Very low179 Ų179126.9 Ų126.978%0.77878%0.783SS**  cis-152.6165.81.3-96.7131.5-163.1149.60105.9
605S22.3Very low24.8Very low103 Ų103125.7 Ų125.772%0.7278%0.782SS**  cis-162.8-149.4-11.847.40000106.1
606S22.8Very low24.7Very low93 Ų93127.7 Ų127.765%0.6578%0.78SS**  cis-169.7140.21.512.10000111.3
607V24Very low24.9Very low149 Ų149128.2 Ų128.290%0.90378%0.778SS**  trans72.3149154.4-1750000119.3
608L20.9Very low25Very low158 Ų158129.7 Ų129.783%0.82778%0.776SS**  trans-85.5-174-179.2-74163.6000111.7
609P39.9Very low25.1Very low116 Ų116128.3 Ų128.375%0.75377%0.772SS**  cis-125.3-140835.7-10.8000111.4
610S23.8Very low25.3Very low111 Ų111126.3 Ų126.378%0.77677%0.769SS**  cis-162.4168.25.623.60000111.5
611S25.8Very low25.5Very low112 Ų112129.1 Ų129.178%0.78377%0.774SS**  trans-120143.8176.655.80000113.1
612I25.7Very low25.5Very low164 Ų164130.9 Ų130.984%0.84178%0.775SS**  trans-163.5164.6172.3-103.8149.9000110.2
613S24.9Very low25.8Very low105 Ų105130.8 Ų130.873%0.73478%0.779SS**  -178.552.9-76.857.60000113.6
614S25.9Very low26Very low109 Ų109132.4 Ų132.476%0.76278%0.779SS**  trans-151.9157.3-179.869.60000111.7
615T26.5Very low26.2Very low131 Ų131133.7 Ų133.780%0.80478%0.779SS**  cis-149.4157.77.3-24.50000111.4
616Q24.6Very low26.6Very low172 Ų172133.7 Ų133.780%0.80478%0.779SS**  trans-83.7-174.3156.2-66.5169-4300109
617V28.9Very low26.8Very low118 Ų118136.8 Ų136.872%0.71579%0.788SS**  cis-157.6156.417.8-145.20000111.5
618D25.7Very low27.3Very low160 Ų160134.4 Ų134.486%0.85678%0.778SS**  trans72155.4139.2-116.2-42.6000126.3
619G26.4Very low28.5Very low74 Ų74132.6 Ų132.676%0.76378%0.776SS**  trans101.2122.7166.200000116.6
620G25.9Very low28Very low70 Ų70131.6 Ų131.672%0.72278%0.778SS**  cis166.897.4-9.600000115.9
621I28.1Very low28.3Very low169 Ų169130.9 Ų130.987%0.86778%0.779SS**  trans59.2104.8150.6-45.7168.3000121
622K26Very low28.5Very low196 Ų196130 Ų13085%0.85277%0.772SS**  trans169.3128.8130.3-98.6177.4177.5179.20108.3
623L28.3Very low28.9Very low156 Ų156127.9 Ų127.982%0.81777%0.767SS**  cis90.3122.431.7-152.489.1000114.7
624E26.9Very low29.3Very low136 Ų136130.6 Ų130.664%0.63677%0.768SS**  trans86.7133.3164.9-69.1-141.477.300123.3
625R27.5Very low29.6Very low206 Ų206130.4 Ų130.478%0.77777%0.767SS**  trans60.9113.6143.5-79.2176.6159.2121.4-11.4122.5
626S29.9Very low31.3Very low102 Ų102129.1 Ų129.171%0.71376%0.761SS**  trans-33.6142.4136.751.50000115.7
627D26.9Very low32Very low158 Ų158133 Ų13385%0.84578%0.778SS**  -156.9169.8106-127.1-39.4000112.7
628S34.5Very low32.2Very low100 Ų100133.8 Ų133.870%0.69978%0.782SS**  trans-112.1155.5165.5-56.20000108.8
629P46.8Very low32.5Very low119 Ų119132.4 Ų132.477%0.77378%0.778SS**  -159.1158.290.640.5-21.1000118.5
630A28.4Very low32.8Very low96 Ų96135.6 Ų135.679%0.79378%0.778SS**  trans65.4164.9135.800000123.2
631A30.5Very low33.3Very low96 Ų96139.5 Ų139.579%0.79378%0.782SS**  trans73.9135.4168.500000118.7
632S30.4Very low33.6Very low93 Ų93137.6 Ų137.665%0.6578%0.777SS**  cis-177.9146.5-24.741.90000109.5
633T33.2Very low34.1Very low119 Ų119133.7 Ų133.773%0.7377%0.771SS**  trans59.8154.415145.20000118.9
634Q33.4Very low34.5Very low162 Ų162132.1 Ų132.176%0.75777%0.768SS**  cis-165.3125.8-24.5-129.1175.3-5.900108
635S32.8Very low35.1Very low106 Ų106131.8 Ų131.874%0.74178%0.778SS**  trans54.6-173.7150.4540000118.3
636P62Low35.7Very low104 Ų104125.7 Ų125.768%0.67578%0.779SS**  -123.7158.7-61.634.7-23.6000113.1
637H39.8Very low36.2Very low253 Ų253127.8 Ų127.8100%1.17178%0.784SS**  -160.60113.5-115.3-61.2000113

Retrieved 637 of 637 residues in 230.4 ms (Link to these results)