A0A087YB76_POEFO Loading...

Prostaglandin D2 receptor 2

AlphaFold DB , UniProt , Accession A0A087YB76, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 356 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
1V39.9Very low55.2Low195 Ų195108.3 Ų108.3100%1.18266%0.657SS**  093.80-1770000106.6
2T33.4Very low58.1Low128 Ų12899.7 Ų99.779%0.78561%0.605SS**  trans-65.9127.5171.437.60000107.8S4T2-S4 PolarHBondContact O-N 3.29Å; T2-S4 VanDerWaalsContact O-N 3.15Å
3P44.4Very low60.3Low119 Ų11996.5 Ų96.577%0.77359%0.588SS**  trans-66.6118.5172.213.1-3.6000106.9V5P3-V5 PolarHBondContact O-N 3.42Å
4S41.2Very low62.3Low111 Ų11190.1 Ų90.178%0.77655%0.548SS*.  trans-62.3102.2169.448.60000108T2T2-S4 PolarHBondContact O-N 3.29Å; T2-S4 VanDerWaalsContact O-N 3.15Å
5V47.8Very low64.1Low105 Ų10584.4 Ų84.464%0.63651%0.513SS*.  trans-57.8123.4163.8-1800000106.4P3 E7P3-V5 PolarHBondContact O-N 3.42Å; V5-E7 PolarHBondContact O-N 3.45Å; V5-E7 VanDerWaalsContact O-N 3.08Å
6P43.8Very low65.7Low91 Ų9181.6 Ų81.659%0.59149%0.492SS*.  trans-65.7112.9171.1-7.723000107.2G8P6-G8 PolarHBondContact O-N 3.18Å
7E50.1Low67Low205 Ų20579.9 Ų79.996%0.95848%0.478SS*.  trans-71.659.1173.1-71.1-175.7159.300110.8V5V5-E7 PolarHBondContact O-N 3.45Å; V5-E7 VanDerWaalsContact O-N 3.08Å
8G63.8Low68.1Low44 Ų4476.7 Ų76.745%0.45446%0.458SS..SBendtrans-124150.8176.400000111.1P6 L10P6-G8 PolarHBondContact O-N 3.18Å; G8-L10 PolarHBondContact O-N 3.13Å
9P73.1Confident69.2Low92 Ų9276.6 Ų76.660%0.59745%0.449SS*.  trans-60.2134.2171.322.3-29.2000110.7Y11P9-Y11 HydrophobicContact CB-CE2 4.11Å; P9-Y11 HydrophobicContact CG-CE2 3.75Å; P9-Y11 WeakPolarHBondContact CG-OH 3.38Å; P9-Y11 WeakPolarHBondContact O-CD2 3.41Å; P9-Y11 VanDerWaalsContact O-CE2 3.25Å; P9-Y11 WeakPolarHBondContact O-CE2 3.37Å
10L82.9Confident70Confident57 Ų5778.4 Ų78.430%0.29845%0.452SS..  trans-72.3136.4176.3-72157.5000110.7G8 A187 E193 L196G8-L10 PolarHBondContact O-N 3.13Å; L10-A187 HydrophobicContact CB-CB 4.43Å; L10-A187 WeakPolarHBondContact O-CB 3.36Å; L10-E193 HydrophobicContact CD2-CG 3.7Å; L10-L196 HydrophobicContact CB-CD1 4.25Å; L10-L196 HydrophobicContact CD2-CD2 4.05Å
11Y86.9Confident70.3Confident44 Ų4477.4 Ų77.417%0.17345%0.445CS..  trans-128.5145.2176.4-63.1-74.9000111.1P9 L15 E16 R19 I173P9-Y11 HydrophobicContact CB-CE2 4.11Å; P9-Y11 HydrophobicContact CG-CE2 3.75Å; P9-Y11 WeakPolarHBondContact CG-OH 3.38Å; P9-Y11 WeakPolarHBondContact O-CD2 3.41Å; P9-Y11 VanDerWaalsContact O-CE2 3.25Å; P9-Y11 WeakPolarHBondContact O-CE2 3.37Å; Y11-L15 HydrophobicContact CD1-CD2 3.79Å; Y11-L15 HydrophobicContact CD1-CG 4.29Å; Y11-E16 WeakPolarHBondContact CD2-OE2 3.34Å; Y11-R19 VanDerWaalsContact CE2-NH1 3.31Å; Y11-I173 HydrophobicContact CE1-CG1 4.1Å; Y11-I173 HydrophobicContact CE1-CG2 4Å
12C89.4Confident71.4Confident5 Ų571.6 Ų71.63%0.03441%0.408CS..  trans-63.1146171.5-63.90000111L14 L15 E16 C200C12-L14 VanDerWaalsContact C-N 3.27Å; C12-L14 PolarHBondContact O-N 3.36Å; C12-L14 VanDerWaalsContact O-N 3.11Å; C12-L15 HydrophobicContact CB-CB 4.39Å; C12-L15 WeakPolarHBondContact O-CA 3.42Å; C12-L15 WeakPolarHBondContact O-CB 3.49Å; C12-L15 PolarHBondContact O-N 3.42Å; C12-E16 PolarHBondContact O-N 3.3Å; C12-C200 WeakPolarHBondContact CA-SG 3.43Å; C12-C200 HydrophobicContact CB-CB 3.68Å; C12-C200 WeakPolarHBondContact CB-SG 3.29Å; C12-C200 WeakPolarHBondContact SG-CB 3.46Å; C12-C200 CovalentContact SG-SG 2.03Å; C12-C200 PolarHBondContact SG-SG 3.42Å
13P87.8Confident72.3Confident59 Ų5972.6 Ų72.638%0.38341%0.407SS..Hα-helixtrans-51.7-40.7-177-29.434.6000114.6Q17P13-Q17 WeakPolarHBondContact O-CB 3.4Å; P13-Q17 PolarHBondContact O-N 3.42Å
14L87.8Confident72.4Confident7 Ų773.8 Ų73.84%0.03741%0.408CS..Hα-helixtrans-66.5-39.8177-178.763.3000112.7C12 M18 E270 A273 Q274 F280C12-L14 VanDerWaalsContact C-N 3.27Å; C12-L14 PolarHBondContact O-N 3.36Å; C12-L14 VanDerWaalsContact O-N 3.11Å; L14-M18 HydrophobicContact CG-CE 4.16Å; L14-M18 WeakPolarHBondContact O-CG 3.36Å; L14-M18 PolarHBondContact O-N 3.1Å; L14-E270 HydrophobicContact CD2-CG 3.72Å; L14-A273 HydrophobicContact CD1-CB 3.8Å; L14-Q274 HydrophobicContact CB-CB 4.37Å; L14-F280 HydrophobicContact CD1-CD2 3.67Å; L14-F280 HydrophobicContact CD1-CE2 3.91Å
15L89.1Confident72.9Confident4 Ų472.7 Ų72.72%0.02139%0.393CS..Hα-helixtrans-71.9-38.4179.3-179.860.4000111.2Y11 C12 M18 R19 I173 L181 Y183 N185Y11-L15 HydrophobicContact CD1-CD2 3.79Å; Y11-L15 HydrophobicContact CD1-CG 4.29Å; C12-L15 HydrophobicContact CB-CB 4.39Å; C12-L15 WeakPolarHBondContact O-CA 3.42Å; C12-L15 WeakPolarHBondContact O-CB 3.49Å; C12-L15 PolarHBondContact O-N 3.42Å; L15-M18 HydrophobicContact CB-CE 4.34Å; L15-M18 HydrophobicContact CD1-CE 3.91Å; L15-M18 WeakPolarHBondContact O-CB 3.48Å; L15-M18 PolarHBondContact O-N 3.42Å; L15-M18 VanDerWaalsContact O-N 3.15Å; L15-R19 PolarHBondContact O-N 3.37Å; L15-I173 HydrophobicContact CD1-CD1 4.09Å; L15-I173 HydrophobicContact CD2-CD1 4.07Å; L15-I173 HydrophobicContact CD2-CG1 4.25Å; L15-L181 HydrophobicContact CD1-CD2 4.14Å; L15-Y183 HydrophobicContact CD1-CD1 4.31Å; L15-N185 HydrophobicContact CD2-CB 3.71Å
16E89Confident73Confident39 Ų3975 Ų7518%0.18240%0.402CS..Hα-helixtrans-58.5-48.6172.2-168.651.1-101.900110.4Y11 C12 M18 R19 E20Y11-E16 WeakPolarHBondContact CD2-OE2 3.34Å; C12-E16 PolarHBondContact O-N 3.3Å; E16-M18 VanDerWaalsContact C-N 3.3Å; E16-M18 PolarHBondContact O-N 3.4Å; E16-R19 VanDerWaalsContact CD-CZ 3.46Å; E16-R19 WeakPolarHBondContact O-CB 3.46Å; E16-R19 PolarHBondContact O-N 3.41Å; E16-R19 IonicContact OE1-CZ 2.85Å; E16-R19 IonicContact OE1-NE 2.72Å; E16-R19 PolarHBondContact OE1-NE 3.4Å; E16-R19 IonicContact OE1-NH1 3.9Å; E16-R19 IonicContact OE1-NH2 2.61Å; E16-R19 PolarHBondContact OE1-NH2 3.39Å; E16-R19 IonicContact OE2-CZ 3.32Å; E16-R19 VanDerWaalsContact OE2-CZ 3.32Å; E16-R19 IonicContact OE2-NE 3.68Å; E16-R19 IonicContact OE2-NH1 3.69Å; E16-R19 IonicContact OE2-NH2 3.29Å; E16-R19 PolarHBondContact OE2-NH2 2.87Å; E16-E20 PolarHBondContact O-N 3.23Å; E16-E20 VanDerWaalsContact OE1-CG 3.31Å; E16-E20 WeakPolarHBondContact OE1-CG 3.43Å; E16-E20 VanDerWaalsContact OE1-OE1 3.13Å
17Q88.1Confident73.5Confident54 Ų5477 Ų7725%0.25241%0.408SS..Hα-helixtrans-59-39.1173.6-167.9-177.4-16.100112.4P13 R19 D21 F280P13-Q17 WeakPolarHBondContact O-CB 3.4Å; P13-Q17 PolarHBondContact O-N 3.42Å; Q17-R19 VanDerWaalsContact C-N 3.34Å; Q17-D21 VanDerWaalsContact O-CB 3.28Å; Q17-D21 WeakPolarHBondContact O-CB 2.92Å; Q17-D21 PolarHBondContact O-N 3.13Å; Q17-D21 VanDerWaalsContact O-N 3.11Å; Q17-F280 HydrophobicContact CB-CE2 4.07Å; Q17-F280 HydrophobicContact CB-CZ 4.23Å; Q17-F280 HydrophobicContact CG-CD2 4.35Å; Q17-F280 HydrophobicContact CG-CE1 4.12Å; Q17-F280 HydrophobicContact CG-CE2 3.8Å; Q17-F280 HydrophobicContact CG-CZ 3.67Å; Q17-F280 VanDerWaalsContact NE2-CD1 3.31Å; Q17-F280 VanDerWaalsContact NE2-CG 3.3Å
18M87.5Confident74Confident22 Ų2270 Ų7011%0.10838%0.379CS..Hα-helixtrans-65.8-35.1174.7-74.7-173.3-7600113L14 L15 E16 K175 L181 Y183 F280L14-M18 HydrophobicContact CG-CE 4.16Å; L14-M18 WeakPolarHBondContact O-CG 3.36Å; L14-M18 PolarHBondContact O-N 3.1Å; L15-M18 HydrophobicContact CB-CE 4.34Å; L15-M18 HydrophobicContact CD1-CE 3.91Å; L15-M18 WeakPolarHBondContact O-CB 3.48Å; L15-M18 PolarHBondContact O-N 3.42Å; L15-M18 VanDerWaalsContact O-N 3.15Å; E16-M18 VanDerWaalsContact C-N 3.3Å; E16-M18 PolarHBondContact O-N 3.4Å; M18-K175 WeakPolarHBondContact O-CE 3.48Å; M18-K175 PolarHBondContact O-NZ 3.23Å; M18-L181 HydrophobicContact CB-CD2 4.5Å; M18-L181 HydrophobicContact SD-CD2 4.48Å; M18-Y183 HydrophobicContact CE-CD1 3.6Å; M18-Y183 HydrophobicContact CE-CE1 3.5Å; M18-Y183 VanDerWaalsContact CE-CE1 3.5Å; M18-Y183 HydrophobicContact CE-CG 4.4Å; M18-Y183 HydrophobicContact SD-CD1 4.48Å; M18-Y183 HydrophobicContact SD-CE1 4.25Å; M18-F280 HydrophobicContact CG-CE2 3.65Å; M18-F280 HydrophobicContact CG-CZ 3.9Å
19R88.3Confident74.4Confident75 Ų7575.6 Ų75.628%0.28339%0.393SS..Hα-helixtrans-68.8-46.5178.7-175.1-172.973.11667.4111.7Y11 L15 E16 Q17 I173 E174 A176Y11-R19 VanDerWaalsContact CE2-NH1 3.31Å; L15-R19 PolarHBondContact O-N 3.37Å; E16-R19 VanDerWaalsContact CD-CZ 3.46Å; E16-R19 WeakPolarHBondContact O-CB 3.46Å; E16-R19 PolarHBondContact O-N 3.41Å; E16-R19 IonicContact OE1-CZ 2.85Å; E16-R19 IonicContact OE1-NE 2.72Å; E16-R19 PolarHBondContact OE1-NE 3.4Å; E16-R19 IonicContact OE1-NH1 3.9Å; E16-R19 IonicContact OE1-NH2 2.61Å; E16-R19 PolarHBondContact OE1-NH2 3.39Å; E16-R19 IonicContact OE2-CZ 3.32Å; E16-R19 VanDerWaalsContact OE2-CZ 3.32Å; E16-R19 IonicContact OE2-NE 3.68Å; E16-R19 IonicContact OE2-NH1 3.69Å; E16-R19 IonicContact OE2-NH2 3.29Å; E16-R19 PolarHBondContact OE2-NH2 2.87Å; Q17-R19 VanDerWaalsContact C-N 3.34Å; R19-I173 HydrophobicContact CG-CG2 4.43Å; R19-E174 WeakPolarHBondContact CG-O 3.09Å; R19-A176 PolarHBondContact O-N 3.12Å; R19-A176 VanDerWaalsContact O-N 3.11Å
20E84.9Confident74.6Confident111 Ų11173.6 Ų73.652%0.51938%0.379SS..Hα-helixtrans-84.8-12.1-173.6-68.5-177.1167.900114.6E16 N22E16-E20 PolarHBondContact O-N 3.23Å; E16-E20 VanDerWaalsContact OE1-CG 3.31Å; E16-E20 WeakPolarHBondContact OE1-CG 3.43Å; E16-E20 VanDerWaalsContact OE1-OE1 3.13Å; E20-N22 PolarHBondContact O-N 3.29Å; E20-N22 PolarHBondContact O-ND2 2.99Å
21D77.8Confident74.7Confident58 Ų5874.9 Ų74.931%0.3139%0.386SS..  trans-64.281.2176.7-165.138.2000110.5Q17 F280 Q284Q17-D21 VanDerWaalsContact O-CB 3.28Å; Q17-D21 WeakPolarHBondContact O-CB 2.92Å; Q17-D21 PolarHBondContact O-N 3.13Å; Q17-D21 VanDerWaalsContact O-N 3.11Å; D21-F280 HydrophobicContact CB-CE1 4.43Å; D21-Q284 PolarHBondContact OD2-NE2 3.28Å; D21-Q284 PolarHBondContact OD2-OE1 3.48Å
22N61.9Low74.8Confident74 Ų7478 Ų7840%0.39641%0.405SS..  trans-80.6129.8177.9-85.9-45.8000108.8E20 A176E20-N22 PolarHBondContact O-N 3.29Å; E20-N22 PolarHBondContact O-ND2 2.99Å; N22-A176 WeakPolarHBondContact ND2-CB 3.31Å; N22-A176 WeakPolarHBondContact OD1-CB 3.4Å
23L53Low74.8Confident148 Ų14882.3 Ų82.378%0.77543%0.431SS*.SBendtrans60.361.3144.1-70.1153.5000117.7
24N47Very low74.7Confident145 Ų14581.7 Ų81.778%0.77543%0.426SS*.  trans-148.7-0.8158-91.9-42.6000116
25N51.7Low74.9Confident88 Ų8882.2 Ų82.247%0.47143%0.43SS..  trans-96.698.9173.3-86.5-18.2000110.3N27 T28N25-N27 PolarHBondContact O-N 2.63Å; N25-T28 PolarHBondContact O-N 3.33Å; N25-T28 PolarHBondContact O-OG1 2.98Å
26N48.6Very low75Confident153 Ų15385.7 Ų85.782%0.81845%0.453SS*.G310 helixtrans-56.8-4160.5-74.4-9.3000113.1T28N26-T28 VanDerWaalsContact C-N 3.35Å
27N54.9Low75.1Confident134 Ų13487.3 Ų87.372%0.71746%0.463SS*.G310 helixtrans-88.816.5178.2-95.63.9000114.7N25 Q29N25-N27 PolarHBondContact O-N 2.63Å; N27-Q29 PolarHBondContact O-N 3.09Å
28T61Low75.2Confident58 Ų5885 Ų8536%0.35645%0.452SS..G310 helixtrans-83.32174.643.40000113.4N25 N26 S94N25-T28 PolarHBondContact O-N 3.33Å; N25-T28 PolarHBondContact O-OG1 2.98Å; N26-T28 VanDerWaalsContact C-N 3.35Å; T28-S94 WeakPolarHBondContact O-CB 3.5Å; T28-S94 PolarHBondContact O-OG 2.88Å
29Q70.6Confident75.4Confident160 Ų16085.1 Ų85.175%0.74846%0.458SS*.SBendtrans-66.8140.1172.6-67.4-168.3-1100110.9N27 N31N27-Q29 PolarHBondContact O-N 3.09Å; Q29-N31 PolarHBondContact O-N 2.76Å
30V78.6Confident75.6Confident51 Ų5186.2 Ų86.231%0.30947%0.469SS..  trans-57.5113.3173.5-179.40000109L32 V35 Y92 S94V30-L32 HydrophobicContact CG1-CD2 4.1Å; V30-L32 HydrophobicContact CG1-CG 4.39Å; V30-L32 PolarHBondContact O-N 2.88Å; V30-L32 VanDerWaalsContact O-N 3.13Å; V30-V35 HydrophobicContact CG1-CG2 4.08Å; V30-Y92 HydrophobicContact CG1-CD2 4.35Å; V30-Y92 WeakPolarHBondContact CG2-O 3.46Å; V30-S94 WeakPolarHBondContact CG2-OG 3.44Å
31N85.5Confident75.9Confident83 Ų8384 Ų8444%0.44446%0.458SS..  trans-83.490.3172.4-170.7-30.7000108.9Q29 V33 V34 V35Q29-N31 PolarHBondContact O-N 2.76Å; N31-V33 PolarHBondContact O-N 3.47Å; N31-V33 VanDerWaalsContact O-N 3.15Å; N31-V33 WeakPolarHBondContact OD1-CB 3.41Å; N31-V33 PolarHBondContact OD1-N 3.29Å; N31-V33 VanDerWaalsContact OD1-N 3.16Å; N31-V34 HydrophobicContact CB-CB 4.1Å; N31-V34 HydrophobicContact CB-CG2 3.98Å; N31-V34 WeakPolarHBondContact O-CB 3.24Å; N31-V34 PolarHBondContact O-N 3.22Å; N31-V34 PolarHBondContact OD1-N 3.05Å; N31-V35 WeakPolarHBondContact O-CG2 3.15Å; N31-V35 PolarHBondContact O-N 2.84Å
32L88.6Confident76.6Confident110 Ų11081.4 Ų81.458%0.57645%0.445SS*.Hα-helixtrans-56.1-30.5-179.7-73.4173.5000112.7V30 V35 C36V30-L32 HydrophobicContact CG1-CD2 4.1Å; V30-L32 HydrophobicContact CG1-CG 4.39Å; V30-L32 PolarHBondContact O-N 2.88Å; V30-L32 VanDerWaalsContact O-N 3.13Å; L32-V35 PolarHBondContact O-N 3.28Å; L32-C36 WeakPolarHBondContact O-CB 3.37Å; L32-C36 PolarHBondContact O-N 2.91Å; L32-C36 PolarHBondContact O-SG 2.93Å
33V89Confident78.1Confident96 Ų9681.1 Ų81.158%0.58245%0.448SS*.Hα-helixtrans-63.7-46.8175.6179.40000110.3N31 C36 I37N31-V33 PolarHBondContact O-N 3.47Å; N31-V33 VanDerWaalsContact O-N 3.15Å; N31-V33 WeakPolarHBondContact OD1-CB 3.41Å; N31-V33 PolarHBondContact OD1-N 3.29Å; N31-V33 VanDerWaalsContact OD1-N 3.16Å; V33-C36 PolarHBondContact O-N 3.33Å; V33-I37 HydrophobicContact CG1-CD1 3.74Å; V33-I37 HydrophobicContact CG1-CG1 4.44Å; V33-I37 WeakPolarHBondContact O-CB 3.47Å; V33-I37 WeakPolarHBondContact O-CG1 3.3Å; V33-I37 PolarHBondContact O-N 3.33Å
34V86.6Confident80Confident45 Ų4577.5 Ų77.527%0.27343%0.429SS..Hα-helixtrans-62.5-44.6176.3174.10000110.8N31 C36 I37 H38 F91N31-V34 HydrophobicContact CB-CB 4.1Å; N31-V34 HydrophobicContact CB-CG2 3.98Å; N31-V34 WeakPolarHBondContact O-CB 3.24Å; N31-V34 PolarHBondContact O-N 3.22Å; N31-V34 PolarHBondContact OD1-N 3.05Å; V34-C36 PolarHBondContact O-N 3.25Å; V34-I37 PolarHBondContact O-N 2.88Å; V34-H38 WeakPolarHBondContact O-CB 3.39Å; V34-H38 PolarHBondContact O-CD2 3.41Å; V34-H38 VanDerWaalsContact O-CD2 3.29Å; V34-H38 PolarHBondContact O-N 2.76Å; V34-F91 HydrophobicContact CG1-CD1 4.29Å; V34-F91 HydrophobicContact CG1-CD2 4.11Å; V34-F91 HydrophobicContact CG1-CE1 4.36Å; V34-F91 HydrophobicContact CG1-CE2 4.16Å; V34-F91 HydrophobicContact CG1-CG 4.17Å; V34-F91 HydrophobicContact CG1-CZ 4.28Å
35V91.1Very high82.2Confident19 Ų1970.6 Ų70.612%0.11539%0.392CS..Hα-helixtrans-58.8-48.6177.41770000111.1V30 N31 L32 H38 G39 T88 F91V30-V35 HydrophobicContact CG1-CG2 4.08Å; N31-V35 WeakPolarHBondContact O-CG2 3.15Å; N31-V35 PolarHBondContact O-N 2.84Å; L32-V35 PolarHBondContact O-N 3.28Å; V35-H38 PolarHBondContact O-N 3.19Å; V35-G39 PolarHBondContact O-N 3.38Å; V35-T88 HydrophobicContact CG1-CG2 3.81Å; V35-F91 HydrophobicContact CG2-CB 3.79Å
36C92.2Very high84.3Confident76 Ų7668.4 Ų68.451%0.51438%0.38SS..Hα-helixtrans-63-45.1178.6-72.30000112.2L32 V33 V34 H38 G39 I40L32-C36 WeakPolarHBondContact O-CB 3.37Å; L32-C36 PolarHBondContact O-N 2.91Å; L32-C36 PolarHBondContact O-SG 2.93Å; V33-C36 PolarHBondContact O-N 3.33Å; V34-C36 PolarHBondContact O-N 3.25Å; C36-H38 VanDerWaalsContact C-N 3.34Å; C36-H38 PolarHBondContact O-N 3.14Å; C36-G39 PolarHBondContact O-N 2.93Å; C36-I40 VanDerWaalsContact O-CG1 3.31Å; C36-I40 WeakPolarHBondContact O-CG1 3.27Å; C36-I40 PolarHBondContact O-N 3.28Å
37I90.4Very high86.4Confident73 Ų7366.9 Ų66.937%0.37437%0.371SS..Hα-helixtrans-59.6-46.1177.4-72.5170.9000110.5V33 V34 I40 F41V33-I37 HydrophobicContact CG1-CD1 3.74Å; V33-I37 HydrophobicContact CG1-CG1 4.44Å; V33-I37 WeakPolarHBondContact O-CB 3.47Å; V33-I37 WeakPolarHBondContact O-CG1 3.3Å; V33-I37 PolarHBondContact O-N 3.33Å; V34-I37 PolarHBondContact O-N 2.88Å; I37-I40 PolarHBondContact O-N 3.36Å; I37-F41 HydrophobicContact CG2-CD2 3.65Å; I37-F41 HydrophobicContact CG2-CE2 3.19Å; I37-F41 HydrophobicContact CG2-CZ 3.88Å; I37-F41 WeakPolarHBondContact O-CD2 3.45Å; I37-F41 WeakPolarHBondContact O-CG 3.18Å; I37-F41 PolarHBondContact O-N 2.9Å
38H89.3Confident88.1Confident6 Ų663.3 Ų63.33%0.02835%0.35CS..Hα-helixtrans-62.8-41.4176.1-90.9-87.2000112.8V34 V35 C36 I40 F41 S42 T88 F91 T292V34-H38 WeakPolarHBondContact O-CB 3.39Å; V34-H38 PolarHBondContact O-CD2 3.41Å; V34-H38 VanDerWaalsContact O-CD2 3.29Å; V34-H38 PolarHBondContact O-N 2.76Å; V35-H38 PolarHBondContact O-N 3.19Å; C36-H38 VanDerWaalsContact C-N 3.34Å; C36-H38 PolarHBondContact O-N 3.14Å; H38-I40 PolarHBondContact O-N 2.86Å; H38-F41 PolarHBondContact O-N 2.93Å; H38-S42 VanDerWaalsContact O-CB 3.3Å; H38-S42 WeakPolarHBondContact O-CB 3.37Å; H38-S42 PolarHBondContact O-N 3.43Å; H38-T88 HydrophobicContact CB-CG2 4.45Å; H38-F91 AromaticContact CD2-CD2 3.87Å; H38-F91 AromaticContact CD2-CE2 3.51Å; H38-F91 AromaticContact CE1-CE2 3.55Å; H38-F91 AromaticContact CG-CE2 3.9Å; H38-F91 AromaticContact ND1-CE2 3.92Å; H38-F91 AromaticContact NE2-CE2 3.27Å; H38-F91 VanDerWaalsContact NE2-CE2 3.27Å; H38-F91 WeakPolarHBondContact NE2-CE2 3.43Å; H38-F91 AromaticContact NE2-CZ 3.91Å; H38-T292 WeakPolarHBondContact CE1-CG2 3.46Å; H38-T292 PolarHBondContact CE1-OG1 2.93Å; H38-T292 WeakPolarHBondContact NE2-CG2 3.49Å; H38-T292 PolarHBondContact NE2-OG1 3.15Å
39G92.6Very high89.7Confident24 Ų2460.6 Ų60.625%0.24733%0.334CS..Hα-helixtrans-61.8-41.2175.900000112.8V35 C36 S43V35-G39 PolarHBondContact O-N 3.38Å; C36-G39 PolarHBondContact O-N 2.93Å; G39-S43 WeakPolarHBondContact O-CB 3.43Å; G39-S43 PolarHBondContact O-N 3.49Å; G39-S43 PolarHBondContact O-OG 3.5Å
40I92.4Very high90.8Very high99 Ų9954.8 Ų54.851%0.50831%0.313SS..Hα-helixtrans-63.7-50.2174.8-68.1165.3000110.4C36 I37 H38 S42 S43 L44C36-I40 VanDerWaalsContact O-CG1 3.31Å; C36-I40 WeakPolarHBondContact O-CG1 3.27Å; C36-I40 PolarHBondContact O-N 3.28Å; I37-I40 PolarHBondContact O-N 3.36Å; H38-I40 PolarHBondContact O-N 2.86Å; I40-S42 VanDerWaalsContact C-N 3.31Å; I40-S42 PolarHBondContact O-N 2.85Å; I40-S43 PolarHBondContact O-N 2.97Å; I40-L44 HydrophobicContact CG2-CD1 3.81Å; I40-L44 HydrophobicContact CG2-CG 4.29Å; I40-L44 WeakPolarHBondContact O-CG 3.12Å; I40-L44 PolarHBondContact O-N 2.89Å
41F90.6Very high91.3Very high63 Ų6355.8 Ų55.828%0.27632%0.317SS..Hα-helixtrans-63.1-37.1179.3-67.8-33.9000113I37 H38 G45 L296I37-F41 HydrophobicContact CG2-CD2 3.65Å; I37-F41 HydrophobicContact CG2-CE2 3.19Å; I37-F41 HydrophobicContact CG2-CZ 3.88Å; I37-F41 WeakPolarHBondContact O-CD2 3.45Å; I37-F41 WeakPolarHBondContact O-CG 3.18Å; I37-F41 PolarHBondContact O-N 2.9Å; H38-F41 PolarHBondContact O-N 2.93Å; F41-G45 PolarHBondContact O-N 3.29Å; F41-L296 HydrophobicContact CB-CD2 4.47Å; F41-L296 HydrophobicContact CD1-CD2 4.14Å; F41-L296 HydrophobicContact CD2-CD2 3.36Å; F41-L296 HydrophobicContact CE1-CD2 4.18Å; F41-L296 HydrophobicContact CE2-CD2 3.38Å; F41-L296 HydrophobicContact CG-CD2 3.76Å; F41-L296 HydrophobicContact CZ-CD2 3.81Å
42S93.2Very high91.4Very high5 Ų553.1 Ų53.14%0.03530%0.302CS..Hα-helixtrans-61.1-48.6172.9-178.30000111.1H38 I40 G45 I46 P85H38-S42 VanDerWaalsContact O-CB 3.3Å; H38-S42 WeakPolarHBondContact O-CB 3.37Å; H38-S42 PolarHBondContact O-N 3.43Å; I40-S42 VanDerWaalsContact C-N 3.31Å; I40-S42 PolarHBondContact O-N 2.85Å; S42-G45 PolarHBondContact O-N 3.37Å; S42-I46 WeakPolarHBondContact O-CB 3.4Å; S42-I46 WeakPolarHBondContact O-CD1 3.27Å; S42-I46 WeakPolarHBondContact O-CG1 3.36Å; S42-I46 PolarHBondContact O-N 3.28Å; S42-P85 VanDerWaalsContact OG-CD 3.23Å; S42-P85 WeakPolarHBondContact OG-CD 3.41Å; S42-P85 VanDerWaalsContact OG-CG 3.31Å; S42-P85 WeakPolarHBondContact OG-CG 3.41Å
43S94.2Very high91.5Very high67 Ų6749.5 Ų49.547%0.46928%0.283SS..Hα-helixtrans-62.7-47.8-179.4-56.40000111.7G39 I40 I46 L47G39-S43 WeakPolarHBondContact O-CB 3.43Å; G39-S43 PolarHBondContact O-N 3.49Å; G39-S43 PolarHBondContact O-OG 3.5Å; I40-S43 PolarHBondContact O-N 2.97Å; S43-I46 PolarHBondContact O-N 2.85Å; S43-L47 WeakPolarHBondContact O-CB 3.45Å; S43-L47 VanDerWaalsContact O-CG 3.25Å; S43-L47 WeakPolarHBondContact O-CG 3.47Å; S43-L47 PolarHBondContact O-N 3.44Å
44L92.8Very high91.5Very high73 Ų7349.3 Ų49.338%0.38227%0.272SS..Hα-helixtrans-60-50.8176.7-71.2174.5000111.1I40 I46 L47 E48 V299I40-L44 HydrophobicContact CG2-CD1 3.81Å; I40-L44 HydrophobicContact CG2-CG 4.29Å; I40-L44 WeakPolarHBondContact O-CG 3.12Å; I40-L44 PolarHBondContact O-N 2.89Å; L44-I46 VanDerWaalsContact C-N 3.3Å; L44-I46 PolarHBondContact O-N 3.16Å; L44-L47 PolarHBondContact O-N 2.76Å; L44-E48 WeakPolarHBondContact O-CB 3.48Å; L44-E48 VanDerWaalsContact O-CG 3.28Å; L44-E48 WeakPolarHBondContact O-CG 3.22Å; L44-E48 PolarHBondContact O-N 3.26Å; L44-V299 HydrophobicContact CB-CG1 4.37Å
45G92.5Very high91.3Very high0 Ų047.5 Ų47.50%026%0.261CS..Hα-helixtrans-61.6-35.3-179.100000113.7F41 S42 N49 T81F41-G45 PolarHBondContact O-N 3.29Å; S42-G45 PolarHBondContact O-N 3.37Å; G45-N49 WeakPolarHBondContact O-CB 3.45Å; G45-N49 PolarHBondContact O-N 3.17Å; G45-N49 PolarHBondContact O-ND2 3.04Å; G45-T81 PolarHBondContact O-OG1 3.41Å
46I94.9Very high90.9Very high42 Ų4246.9 Ų46.922%0.21526%0.257CS..Hα-helixtrans-68.3-51.5174.8-70.9167.1000110S42 S43 L44 A50 F78 L82 P85S42-I46 WeakPolarHBondContact O-CB 3.4Å; S42-I46 WeakPolarHBondContact O-CD1 3.27Å; S42-I46 WeakPolarHBondContact O-CG1 3.36Å; S42-I46 PolarHBondContact O-N 3.28Å; S43-I46 PolarHBondContact O-N 2.85Å; L44-I46 VanDerWaalsContact C-N 3.3Å; L44-I46 PolarHBondContact O-N 3.16Å; I46-A50 WeakPolarHBondContact O-CB 3.46Å; I46-A50 PolarHBondContact O-N 2.93Å; I46-F78 HydrophobicContact CG2-CE2 4.04Å; I46-L82 HydrophobicContact CD1-CD2 4.26Å; I46-L82 HydrophobicContact CG1-CD2 4.24Å; I46-L82 HydrophobicContact CG2-CD2 4.48Å; I46-P85 HydrophobicContact CD1-CG 4.41Å
47L94.2Very high90.5Very high121 Ų12144 Ų4463%0.63424%0.24SC*.Hα-helixtrans-64.2-46.3-175.9-68.9172000112.3S43 L44 L51S43-L47 WeakPolarHBondContact O-CB 3.45Å; S43-L47 VanDerWaalsContact O-CG 3.25Å; S43-L47 WeakPolarHBondContact O-CG 3.47Å; S43-L47 PolarHBondContact O-N 3.44Å; L44-L47 PolarHBondContact O-N 2.76Å; L47-L51 WeakPolarHBondContact O-CB 3.4Å; L47-L51 PolarHBondContact O-N 3.42Å
48E90.8Very high90.2Very high58 Ų5848.1 Ų48.127%0.27126%0.255SS..Hα-helixtrans-66.2-47.2-177.7-69.6176163.800112L44 L51 I52 P302L44-E48 WeakPolarHBondContact O-CB 3.48Å; L44-E48 VanDerWaalsContact O-CG 3.28Å; L44-E48 WeakPolarHBondContact O-CG 3.22Å; L44-E48 PolarHBondContact O-N 3.26Å; E48-L51 PolarHBondContact O-N 2.88Å; E48-I52 WeakPolarHBondContact O-CG1 3.31Å; E48-I52 PolarHBondContact O-N 3.25Å; E48-P302 HydrophobicContact CB-CB 4.42Å; E48-P302 HydrophobicContact CB-CG 4.37Å
49N92.9Very high89.8Confident1 Ų153.7 Ų53.71%0.00528%0.276CS..Hα-helixtrans-70.8-36.8179.9-72.5-68000111.7G45 L51 I52 I53 F78 P298G45-N49 WeakPolarHBondContact O-CB 3.45Å; G45-N49 PolarHBondContact O-N 3.17Å; G45-N49 PolarHBondContact O-ND2 3.04Å; N49-L51 VanDerWaalsContact C-N 3.33Å; N49-L51 PolarHBondContact O-N 2.77Å; N49-I52 PolarHBondContact O-N 3.39Å; N49-I53 VanDerWaalsContact O-CG1 3.27Å; N49-I53 WeakPolarHBondContact O-CG1 3.4Å; N49-I53 PolarHBondContact O-N 2.87Å; N49-F78 HydrophobicContact CB-CB 3.9Å; N49-F78 HydrophobicContact CB-CD2 4.29Å; N49-P298 PolarHBondContact ND2-O 2.92Å
50A93.6Very high89Confident39 Ų3954.5 Ų54.532%0.32227%0.274SS..Hα-helixtrans-60.3-43.317200000111.7I46 I52 I53 W54 F78I46-A50 WeakPolarHBondContact O-CB 3.46Å; I46-A50 PolarHBondContact O-N 2.93Å; A50-I52 PolarHBondContact O-N 2.87Å; A50-I53 PolarHBondContact O-N 3.47Å; A50-W54 WeakPolarHBondContact O-CB 3.17Å; A50-W54 PolarHBondContact O-N 3.39Å; A50-F78 HydrophobicContact CB-CD2 4.25Å; A50-F78 HydrophobicContact CB-CE2 3.84Å
51L89.6Confident88.1Confident72 Ų7261.6 Ų61.638%0.37730%0.295SS..Hα-helixtrans-61.2-44.5176.4179.965.2000111.4L47 E48 N49 W54 V55 L320L47-L51 WeakPolarHBondContact O-CB 3.4Å; L47-L51 PolarHBondContact O-N 3.42Å; E48-L51 PolarHBondContact O-N 2.88Å; N49-L51 VanDerWaalsContact C-N 3.33Å; N49-L51 PolarHBondContact O-N 2.77Å; L51-W54 HydrophobicContact CD1-CE3 3.96Å; L51-W54 HydrophobicContact CD1-CZ3 4.31Å; L51-W54 PolarHBondContact O-N 3.33Å; L51-V55 HydrophobicContact CD1-CG2 4.16Å; L51-V55 HydrophobicContact CG-CG2 4.44Å; L51-V55 WeakPolarHBondContact O-CG2 3.33Å; L51-V55 PolarHBondContact O-N 3.34Å; L51-L320 HydrophobicContact CD1-CD2 4.23Å
52I87.1Confident87.4Confident27 Ų2766.1 Ų66.114%0.13832%0.317CS..Hα-helixtrans-63.2-45.7177.7-71.1167.3000111.1E48 N49 A50 W54 V55 L56 A74 P302E48-I52 WeakPolarHBondContact O-CG1 3.31Å; E48-I52 PolarHBondContact O-N 3.25Å; N49-I52 PolarHBondContact O-N 3.39Å; A50-I52 PolarHBondContact O-N 2.87Å; I52-W54 PolarHBondContact O-N 3.49Å; I52-V55 PolarHBondContact O-N 3.22Å; I52-L56 HydrophobicContact CG2-CD1 3.61Å; I52-L56 HydrophobicContact CG2-CG 4.07Å; I52-L56 VanDerWaalsContact O-CB 3.29Å; I52-L56 WeakPolarHBondContact O-CB 3.36Å; I52-L56 WeakPolarHBondContact O-CG 3.34Å; I52-L56 PolarHBondContact O-N 3.34Å; I52-A74 HydrophobicContact CB-CB 4.04Å; I52-A74 HydrophobicContact CG2-CB 3.53Å; I52-P302 HydrophobicContact CD1-CB 3.48Å; I52-P302 VanDerWaalsContact CD1-CB 3.48Å; I52-P302 HydrophobicContact CD1-CG 3.62Å
53I91.1Very high86.7Confident33 Ų3370 Ų7017%0.16933%0.331CS..Hα-helixtrans-58.5-42.3175.6-68.3165.7000109.8N49 A50 G57 L71 A74 M75 F78N49-I53 VanDerWaalsContact O-CG1 3.27Å; N49-I53 WeakPolarHBondContact O-CG1 3.4Å; N49-I53 PolarHBondContact O-N 2.87Å; A50-I53 PolarHBondContact O-N 3.47Å; I53-G57 WeakPolarHBondContact O-CA 3.47Å; I53-G57 PolarHBondContact O-N 2.99Å; I53-L71 HydrophobicContact CB-CD1 4.43Å; I53-L71 HydrophobicContact CG1-CD1 4.36Å; I53-L71 HydrophobicContact CG2-CD1 4.3Å; I53-A74 HydrophobicContact CG1-CB 3.95Å; I53-M75 HydrophobicContact CD1-CG 4.14Å; I53-M75 HydrophobicContact CG1-CG 4.18Å; I53-F78 HydrophobicContact CD1-CB 3.65Å; I53-F78 HydrophobicContact CD1-CD1 4.07Å; I53-F78 HydrophobicContact CD1-CG 3.85Å
54W88.5Confident86.2Confident93 Ų9369.5 Ų69.535%0.35233%0.325SS..Hα-helixtrans-65.7-50.2180177.675.3000112.8A50 L51 I52 F58 R59 V323A50-W54 WeakPolarHBondContact O-CB 3.17Å; A50-W54 PolarHBondContact O-N 3.39Å; L51-W54 HydrophobicContact CD1-CE3 3.96Å; L51-W54 HydrophobicContact CD1-CZ3 4.31Å; L51-W54 PolarHBondContact O-N 3.33Å; I52-W54 PolarHBondContact O-N 3.49Å; W54-F58 AromaticContact CD1-CD2 3.93Å; W54-F58 PolarHBondContact O-N 3.15Å; W54-R59 HydrophobicContact CD2-CG 4.2Å; W54-R59 HydrophobicContact CE3-CG 4.31Å; W54-R59 HydrophobicContact CH2-CG 4.1Å; W54-R59 HydrophobicContact CZ2-CG 3.93Å; W54-R59 HydrophobicContact CZ3-CG 4.26Å; W54-R59 PolarHBondContact O-N 2.69Å; W54-V323 HydrophobicContact CH2-CB 4.4Å; W54-V323 HydrophobicContact CH2-CG1 4.09Å; W54-V323 HydrophobicContact CH2-CG2 3.53Å; W54-V323 HydrophobicContact CZ2-CG2 4.45Å; W54-V323 HydrophobicContact CZ3-CG2 4.24Å
55V83.1Confident85.8Confident7 Ų766.7 Ų66.74%0.04231%0.31CS..Iπ-helixtrans-63-51.1179.8172.80000110.9L51 I52 R59 L60L51-V55 HydrophobicContact CD1-CG2 4.16Å; L51-V55 HydrophobicContact CG-CG2 4.44Å; L51-V55 WeakPolarHBondContact O-CG2 3.33Å; L51-V55 PolarHBondContact O-N 3.34Å; I52-V55 PolarHBondContact O-N 3.22Å; V55-R59 WeakPolarHBondContact O-CB 3.32Å; V55-R59 PolarHBondContact O-N 3.12Å; V55-L60 PolarHBondContact O-N 2.96Å
56L83.4Confident85.2Confident6 Ų668.5 Ų68.53%0.03133%0.326CS..Iπ-helixtrans-75.3-32.5-176.4-62-173.9000112.4I52 L60 R63 M70 L71 F312I52-L56 HydrophobicContact CG2-CD1 3.61Å; I52-L56 HydrophobicContact CG2-CG 4.07Å; I52-L56 VanDerWaalsContact O-CB 3.29Å; I52-L56 WeakPolarHBondContact O-CB 3.36Å; I52-L56 WeakPolarHBondContact O-CG 3.34Å; I52-L56 PolarHBondContact O-N 3.34Å; L56-L60 HydrophobicContact CD2-CD2 4.22Å; L56-R63 PolarHBondContact O-NE 3.19Å; L56-R63 PolarHBondContact O-NH1 3.06Å; L56-M70 HydrophobicContact CD1-CB 3.64Å; L56-L71 HydrophobicContact CB-CB 4.49Å; L56-L71 HydrophobicContact CB-CD1 4.31Å; L56-F312 HydrophobicContact CD1-CZ 4.49Å; L56-F312 HydrophobicContact CD2-CE2 4.03Å; L56-F312 HydrophobicContact CD2-CZ 4.13Å
57G83.9Confident84.6Confident15 Ų1566.6 Ų66.616%0.15532%0.316CS..Iπ-helixtrans-83.8-35.9-175.200000114.7I53 R63I53-G57 WeakPolarHBondContact O-CA 3.47Å; I53-G57 PolarHBondContact O-N 2.99Å; G57-R63 VanDerWaalsContact C-NH2 3.34Å; G57-R63 PolarHBondContact O-NH2 3.13Å
58F83.6Confident84.4Confident159 Ų15960.9 Ų60.970%0.69729%0.286SS*.Iπ-helixtrans-121.6-34.3-174.1-57.3-77.2000113.5W54W54-F58 AromaticContact CD1-CD2 3.93Å; W54-F58 PolarHBondContact O-N 3.15Å
59R79.8Confident84.1Confident124 Ų12458.6 Ų58.647%0.46828%0.275SS..Iπ-helixtrans-88.8-28.2-175.5-57.2-66.3-71.1-167.5-4.2113.3W54 V55 R61W54-R59 HydrophobicContact CD2-CG 4.2Å; W54-R59 HydrophobicContact CE3-CG 4.31Å; W54-R59 HydrophobicContact CH2-CG 4.1Å; W54-R59 HydrophobicContact CZ2-CG 3.93Å; W54-R59 HydrophobicContact CZ3-CG 4.26Å; W54-R59 PolarHBondContact O-N 2.69Å; V55-R59 WeakPolarHBondContact O-CB 3.32Å; V55-R59 PolarHBondContact O-N 3.12Å; R59-R61 PolarHBondContact O-N 3.11Å; R59-R61 VanDerWaalsContact O-N 3.09Å
60L76.3Confident83.8Confident41 Ų4159.9 Ų59.922%0.21528%0.281CS..  trans-76.3101-177.6-170.467.8000111.8V55 L56 Q62V55-L60 PolarHBondContact O-N 2.96Å; L56-L60 HydrophobicContact CD2-CD2 4.22Å; L60-Q62 VanDerWaalsContact C-N 3.32Å; L60-Q62 WeakPolarHBondContact CG-O 3.46Å; L60-Q62 PolarHBondContact O-N 3.39Å
61R73.1Confident83.6Confident247 Ų24758.5 Ų58.593%0.93227%0.268SS*.SBendtrans-61.1-33.5-178.7-170.3170.5-177.9139.9-0.5114.2R59R59-R61 PolarHBondContact O-N 3.11Å; R59-R61 VanDerWaalsContact O-N 3.09Å
62Q75.8Confident83.9Confident158 Ų15855.4 Ų55.474%0.73825%0.252SS*.SBendtrans-119.6112.4179.6-70.9-177.3-10.100110.9L60L60-Q62 VanDerWaalsContact C-N 3.32Å; L60-Q62 WeakPolarHBondContact CG-O 3.46Å; L60-Q62 PolarHBondContact O-N 3.39Å
63R79.4Confident84.1Confident88 Ų8854.2 Ų54.233%0.33225%0.246SC..  trans-77.2126.4177.8-57.8-54.5-173.3103.920.3110.6L56 G57 V145L56-R63 PolarHBondContact O-NE 3.19Å; L56-R63 PolarHBondContact O-NH1 3.06Å; G57-R63 VanDerWaalsContact C-NH2 3.34Å; G57-R63 PolarHBondContact O-NH2 3.13Å; R63-V145 VanDerWaalsContact O-CG2 3.29Å; R63-V145 WeakPolarHBondContact O-CG2 3.31Å
64T84.1Confident84.1Confident56 Ų5652.9 Ų52.934%0.34424%0.24SC..  trans-105.8160.7172.565.50000110.2A66 S67 I68T64-A66 VanDerWaalsContact C-N 3.29Å; T64-A66 PolarHBondContact O-N 2.98Å; T64-S67 PolarHBondContact N-OG 3.35Å; T64-S67 PolarHBondContact O-N 3.35Å; T64-S67 VanDerWaalsContact O-N 3.11Å; T64-S67 PolarHBondContact O-OG 3.27Å; T64-S67 PolarHBondContact OG1-N 2.9Å; T64-S67 PolarHBondContact OG1-OG 3.45Å; T64-S67 VanDerWaalsContact OG1-OG 3.12Å; T64-I68 WeakPolarHBondContact O-CG1 3.36Å; T64-I68 PolarHBondContact O-N 2.98Å; T64-I68 VanDerWaalsContact O-N 3.15Å
65V83.7Confident84.5Confident13 Ų1351.7 Ų51.78%0.07924%0.239CC..Hα-helixtrans-55.9-44.3175168.40000111.7S67 I68 W69 R143 S144 A148V65-S67 VanDerWaalsContact C-N 3.35Å; V65-S67 PolarHBondContact O-N 3.44Å; V65-I68 PolarHBondContact O-N 3.33Å; V65-I68 VanDerWaalsContact O-N 3.13Å; V65-W69 PolarHBondContact O-N 2.84Å; V65-R143 HydrophobicContact CB-CG 4.22Å; V65-R143 HydrophobicContact CG1-CG 4.21Å; V65-R143 HydrophobicContact CG2-CG 3.84Å; V65-S144 VanDerWaalsContact CG2-C 3.48Å; V65-S144 WeakPolarHBondContact CG2-O 3.27Å; V65-A148 HydrophobicContact CB-CB 4.46Å; V65-A148 HydrophobicContact CG1-CB 3.98Å; V65-A148 HydrophobicContact CG2-CB 4.24Å
66A80.7Confident85.1Confident39 Ų3951.3 Ų51.332%0.32224%0.237SC..Hα-helixtrans-59.1-42.9175.800000112.7T64 I68 W69 M70T64-A66 VanDerWaalsContact C-N 3.29Å; T64-A66 PolarHBondContact O-N 2.98Å; A66-I68 VanDerWaalsContact C-N 3.26Å; A66-I68 PolarHBondContact O-N 3Å; A66-W69 PolarHBondContact O-N 3Å; A66-M70 HydrophobicContact CB-CE 4.23Å; A66-M70 WeakPolarHBondContact O-CE 3.11Å; A66-M70 WeakPolarHBondContact O-CG 3.37Å; A66-M70 PolarHBondContact O-N 3.4Å
67S82.9Confident85.7Confident2 Ų251.1 Ų51.11%0.01424%0.236CC..Hα-helixtrans-66.4-25.617859.30000113.7T64 V65 L71T64-S67 PolarHBondContact N-OG 3.35Å; T64-S67 PolarHBondContact O-N 3.35Å; T64-S67 VanDerWaalsContact O-N 3.11Å; T64-S67 PolarHBondContact O-OG 3.27Å; T64-S67 PolarHBondContact OG1-N 2.9Å; T64-S67 PolarHBondContact OG1-OG 3.45Å; T64-S67 VanDerWaalsContact OG1-OG 3.12Å; V65-S67 VanDerWaalsContact C-N 3.35Å; V65-S67 PolarHBondContact O-N 3.44Å; S67-L71 WeakPolarHBondContact O-CB 3.45Å; S67-L71 PolarHBondContact O-N 2.86Å
68I88.1Confident86.3Confident0 Ų053 Ų530%024%0.24CC..Hα-helixtrans-73.1-45175.9-63160.5000110.1T64 V65 A66 M70 L71 N72 V145 A148 W149T64-I68 WeakPolarHBondContact O-CG1 3.36Å; T64-I68 PolarHBondContact O-N 2.98Å; T64-I68 VanDerWaalsContact O-N 3.15Å; V65-I68 PolarHBondContact O-N 3.33Å; V65-I68 VanDerWaalsContact O-N 3.13Å; A66-I68 VanDerWaalsContact C-N 3.26Å; A66-I68 PolarHBondContact O-N 3Å; I68-M70 PolarHBondContact O-N 2.76Å; I68-L71 PolarHBondContact O-N 3.27Å; I68-N72 PolarHBondContact O-N 3.4Å; I68-N72 PolarHBondContact O-ND2 2.99Å; I68-V145 HydrophobicContact CD1-CB 3.88Å; I68-V145 HydrophobicContact CD1-CG1 3.53Å; I68-V145 HydrophobicContact CD1-CG2 4.1Å; I68-V145 WeakPolarHBondContact CD1-O 3.46Å; I68-A148 HydrophobicContact CB-CB 4.3Å; I68-A148 HydrophobicContact CD1-CB 3.85Å; I68-A148 HydrophobicContact CG2-CB 4.14Å; I68-W149 HydrophobicContact CG2-CD2 3.91Å; I68-W149 HydrophobicContact CG2-CE3 4.31Å; I68-W149 HydrophobicContact CG2-CG 4.16Å; I68-W149 HydrophobicContact CG2-CZ2 4.45Å
69W86.3Confident86.9Confident11 Ų1148.3 Ų48.34%0.04222%0.222CC..Hα-helixtrans-58.7-48.4175.6-60131.6000111.6V65 A66 L71 N72 L73 L121 A124 I125 A148 L151 C152V65-W69 PolarHBondContact O-N 2.84Å; A66-W69 PolarHBondContact O-N 3Å; W69-L71 PolarHBondContact O-N 2.86Å; W69-N72 PolarHBondContact O-N 3.49Å; W69-L73 WeakPolarHBondContact O-CB 3.28Å; W69-L73 PolarHBondContact O-N 2.81Å; W69-L121 HydrophobicContact CE3-CD2 3.78Å; W69-L121 HydrophobicContact CZ3-CD2 4.1Å; W69-A124 HydrophobicContact CE3-CB 4.42Å; W69-A124 HydrophobicContact CH2-CB 4.03Å; W69-A124 HydrophobicContact CZ2-CB 4.49Å; W69-A124 HydrophobicContact CZ3-CB 4Å; W69-I125 HydrophobicContact CB-CD1 3.9Å; W69-I125 HydrophobicContact CB-CG1 3.55Å; W69-I125 HydrophobicContact CG-CG1 3.88Å; W69-A148 HydrophobicContact CZ2-CB 4.14Å; W69-L151 HydrophobicContact CH2-CB 3.62Å; W69-L151 HydrophobicContact CH2-CD1 3.81Å; W69-L151 HydrophobicContact CH2-CG 4.38Å; W69-L151 HydrophobicContact CZ2-CD1 4.23Å; W69-L151 HydrophobicContact CZ3-CB 4.17Å; W69-C152 WeakPolarHBondContact CZ3-SG 3.31Å
70M86.1Confident87.6Confident28 Ų2842.5 Ų42.514%0.13820%0.2CC..Hα-helixtrans-65.2-38.1178.8-69.8-177.6-67.900112.5L56 A66 I68 L73 A74 F312L56-M70 HydrophobicContact CD1-CB 3.64Å; A66-M70 HydrophobicContact CB-CE 4.23Å; A66-M70 WeakPolarHBondContact O-CE 3.11Å; A66-M70 WeakPolarHBondContact O-CG 3.37Å; A66-M70 PolarHBondContact O-N 3.4Å; I68-M70 PolarHBondContact O-N 2.76Å; M70-L73 PolarHBondContact O-N 3.46Å; M70-A74 VanDerWaalsContact O-CB 3.29Å; M70-A74 WeakPolarHBondContact O-CB 3.27Å; M70-A74 PolarHBondContact O-N 3.36Å; M70-F312 HydrophobicContact CE-CD2 3.88Å; M70-F312 HydrophobicContact CE-CE2 3.31Å; M70-F312 HydrophobicContact CE-CZ 3.71Å; M70-F312 HydrophobicContact SD-CD1 4.49Å; M70-F312 HydrophobicContact SD-CD2 4.33Å; M70-F312 HydrophobicContact SD-CE1 3.94Å; M70-F312 HydrophobicContact SD-CE2 3.79Å; M70-F312 HydrophobicContact SD-CZ 3.56Å; M70-F312 VanDerWaalsContact SD-CZ 3.56Å
71L89.8Confident88.5Confident10 Ų1040.5 Ų40.55%0.05219%0.19CC..Hα-helixtrans-63.9-46.7176.2178.166.5000111.6I53 L56 S67 I68 W69 L73 A74 M75 W149I53-L71 HydrophobicContact CB-CD1 4.43Å; I53-L71 HydrophobicContact CG1-CD1 4.36Å; I53-L71 HydrophobicContact CG2-CD1 4.3Å; L56-L71 HydrophobicContact CB-CB 4.49Å; L56-L71 HydrophobicContact CB-CD1 4.31Å; S67-L71 WeakPolarHBondContact O-CB 3.45Å; S67-L71 PolarHBondContact O-N 2.86Å; I68-L71 PolarHBondContact O-N 3.27Å; W69-L71 PolarHBondContact O-N 2.86Å; L71-L73 VanDerWaalsContact C-N 3.32Å; L71-L73 PolarHBondContact O-N 2.92Å; L71-A74 PolarHBondContact O-N 2.76Å; L71-M75 HydrophobicContact CD1-CG 4.49Å; L71-M75 HydrophobicContact CG-SD 4.16Å; L71-M75 WeakPolarHBondContact O-CB 3.37Å; L71-M75 VanDerWaalsContact O-CG 3.27Å; L71-M75 WeakPolarHBondContact O-CG 3.29Å; L71-M75 PolarHBondContact O-N 3.21Å; L71-W149 HydrophobicContact CD2-CH2 4.09Å; L71-W149 HydrophobicContact CD2-CZ2 4.26Å
72N94.5Very high89.5Confident6 Ų632.5 Ų32.53%0.03217%0.165CC..Hα-helixtrans-66-37.1-180-80.4-92.9000111.7I68 W69 M75 S76 L121 C152 W156I68-N72 PolarHBondContact O-N 3.4Å; I68-N72 PolarHBondContact O-ND2 2.99Å; W69-N72 PolarHBondContact O-N 3.49Å; N72-M75 PolarHBondContact O-N 2.8Å; N72-S76 PolarHBondContact O-N 3.47Å; N72-S76 PolarHBondContact O-OG 3.41Å; N72-L121 HydrophobicContact CB-CD1 3.87Å; N72-L121 HydrophobicContact CB-CD2 4.21Å; N72-C152 HydrophobicContact CB-CB 4.44Å; N72-C152 PolarHBondContact ND2-SG 2.92Å; N72-W156 PolarHBondContact OD1-NE1 2.94Å
73L91.8Very high90.4Very high3 Ų325.4 Ų25.42%0.01613%0.132CC..Hα-helixtrans-67.1-44.8175.7-174.864.5000110.9W69 M70 L71 M75 S76 D77 S118 L121 I125 Y305W69-L73 WeakPolarHBondContact O-CB 3.28Å; W69-L73 PolarHBondContact O-N 2.81Å; M70-L73 PolarHBondContact O-N 3.46Å; L71-L73 VanDerWaalsContact C-N 3.32Å; L71-L73 PolarHBondContact O-N 2.92Å; L73-M75 VanDerWaalsContact C-N 3.28Å; L73-M75 PolarHBondContact O-N 2.96Å; L73-S76 PolarHBondContact O-N 2.83Å; L73-S76 PolarHBondContact O-OG 2.93Å; L73-D77 VanDerWaalsContact O-CB 3.24Å; L73-D77 WeakPolarHBondContact O-CB 3.37Å; L73-D77 PolarHBondContact O-N 2.85Å; L73-S118 WeakPolarHBondContact CD1-OG 3.48Å; L73-L121 HydrophobicContact CB-CD1 3.9Å; L73-L121 HydrophobicContact CD1-CB 4.27Å; L73-L121 HydrophobicContact CD1-CD1 4.19Å; L73-I125 HydrophobicContact CD2-CD1 4.33Å; L73-Y305 HydrophobicContact CD2-CD2 4.48Å; L73-Y305 HydrophobicContact CD2-CE2 3.38Å; L73-Y305 VanDerWaalsContact CD2-OH 3.24Å; L73-Y305 WeakPolarHBondContact CD2-OH 3.12Å
74A91.9Very high91Very high4 Ų421.3 Ų21.33%0.03312%0.117CC..Hα-helixtrans-62.9-34.9174.400000112.3I52 I53 M70 L71 F78I52-A74 HydrophobicContact CB-CB 4.04Å; I52-A74 HydrophobicContact CG2-CB 3.53Å; I53-A74 HydrophobicContact CG1-CB 3.95Å; M70-A74 VanDerWaalsContact O-CB 3.29Å; M70-A74 WeakPolarHBondContact O-CB 3.27Å; M70-A74 PolarHBondContact O-N 3.36Å; L71-A74 PolarHBondContact O-N 2.76Å; A74-F78 WeakPolarHBondContact O-CB 3.29Å; A74-F78 PolarHBondContact O-N 2.89Å
75M96Very high91.5Very high68 Ų6821.3 Ų21.334%0.33512%0.118SC..Hα-helixtrans-65.1-46.3174.1-76.3174.257.700112.3I53 L71 N72 L73 D77 L79 W156I53-M75 HydrophobicContact CD1-CG 4.14Å; I53-M75 HydrophobicContact CG1-CG 4.18Å; L71-M75 HydrophobicContact CD1-CG 4.49Å; L71-M75 HydrophobicContact CG-SD 4.16Å; L71-M75 WeakPolarHBondContact O-CB 3.37Å; L71-M75 VanDerWaalsContact O-CG 3.27Å; L71-M75 WeakPolarHBondContact O-CG 3.29Å; L71-M75 PolarHBondContact O-N 3.21Å; N72-M75 PolarHBondContact O-N 2.8Å; L73-M75 VanDerWaalsContact C-N 3.28Å; L73-M75 PolarHBondContact O-N 2.96Å; M75-D77 VanDerWaalsContact C-N 3.34Å; M75-L79 WeakPolarHBondContact O-CG 3.44Å; M75-L79 PolarHBondContact O-N 3.34Å; M75-L79 VanDerWaalsContact O-N 3.12Å; M75-W156 HydrophobicContact CB-CH2 4.26Å; M75-W156 HydrophobicContact CB-CZ2 4.04Å; M75-W156 HydrophobicContact CE-CH2 4.23Å; M75-W156 HydrophobicContact CE-CZ2 4.29Å
76S96.5Very high91.9Very high0 Ų022.6 Ų22.60%012%0.124CC..Hα-helixtrans-66.5-39.3176.956.40000111.8N72 L73 L79 A80 N114 S118N72-S76 PolarHBondContact O-N 3.47Å; N72-S76 PolarHBondContact O-OG 3.41Å; L73-S76 PolarHBondContact O-N 2.83Å; L73-S76 PolarHBondContact O-OG 2.93Å; S76-L79 PolarHBondContact O-N 3.02Å; S76-A80 PolarHBondContact O-N 3.45Å; S76-A80 VanDerWaalsContact O-N 3.15Å; S76-N114 PolarHBondContact O-ND2 3.13Å; S76-S118 PolarHBondContact OG-OG 2.86Å
77D95.4Very high92.3Very high1 Ų122 Ų221%0.00512%0.115CC..Hα-helixtrans-67.8-40.8178.9-72.5-9.4000111.3L73 M75 L79 A80 T81 N114 S118 P298 N301L73-D77 VanDerWaalsContact O-CB 3.24Å; L73-D77 WeakPolarHBondContact O-CB 3.37Å; L73-D77 PolarHBondContact O-N 2.85Å; M75-D77 VanDerWaalsContact C-N 3.34Å; D77-L79 PolarHBondContact O-N 2.87Å; D77-A80 PolarHBondContact O-N 2.96Å; D77-T81 WeakPolarHBondContact O-CG2 3.46Å; D77-T81 PolarHBondContact O-N 3.23Å; D77-T81 PolarHBondContact O-OG1 3.1Å; D77-N114 WeakPolarHBondContact CA-ND2 3.49Å; D77-N114 PolarHBondContact N-ND2 3.38Å; D77-N114 PolarHBondContact OD1-ND2 2.84Å; D77-S118 PolarHBondContact OD1-OG 3.41Å; D77-P298 HydrophobicContact CB-CB 3.72Å; D77-P298 HydrophobicContact CB-CG 4.48Å; D77-N301 WeakPolarHBondContact OD2-CB 3.29Å; D77-N301 PolarHBondContact OD2-ND2 3.36Å
78F96.1Very high92.7Very high54 Ų5423 Ų2324%0.23712%0.12CC..Hα-helixtrans-60.7-43.8173.3-177.4-111.3000112.5I46 N49 A50 I53 A74 A80 T81 L82I46-F78 HydrophobicContact CG2-CE2 4.04Å; N49-F78 HydrophobicContact CB-CB 3.9Å; N49-F78 HydrophobicContact CB-CD2 4.29Å; A50-F78 HydrophobicContact CB-CD2 4.25Å; A50-F78 HydrophobicContact CB-CE2 3.84Å; I53-F78 HydrophobicContact CD1-CB 3.65Å; I53-F78 HydrophobicContact CD1-CD1 4.07Å; I53-F78 HydrophobicContact CD1-CG 3.85Å; A74-F78 WeakPolarHBondContact O-CB 3.29Å; A74-F78 PolarHBondContact O-N 2.89Å; F78-A80 VanDerWaalsContact C-N 3.32Å; F78-A80 PolarHBondContact O-N 2.92Å; F78-T81 WeakPolarHBondContact CA-OG1 3.39Å; F78-T81 PolarHBondContact O-N 3.49Å; F78-T81 PolarHBondContact O-OG1 3.29Å; F78-T81 VanDerWaalsContact O-OG1 3.13Å; F78-L82 HydrophobicContact CD1-CD1 3.8Å; F78-L82 HydrophobicContact CD1-CG 4.31Å; F78-L82 HydrophobicContact CD2-CG 4.47Å; F78-L82 HydrophobicContact CE1-CD1 3.38Å; F78-L82 HydrophobicContact CE1-CD2 4.48Å; F78-L82 HydrophobicContact CE1-CG 4.01Å; F78-L82 HydrophobicContact CE2-CD1 4.42Å; F78-L82 HydrophobicContact CE2-CD2 4.21Å; F78-L82 HydrophobicContact CE2-CG 4.16Å; F78-L82 HydrophobicContact CG-CD1 4.49Å; F78-L82 HydrophobicContact CZ-CD1 3.72Å; F78-L82 HydrophobicContact CZ-CD2 3.96Å; F78-L82 HydrophobicContact CZ-CG 3.93Å; F78-L82 WeakPolarHBondContact O-CB 3.34Å; F78-L82 VanDerWaalsContact O-CG 3.27Å; F78-L82 WeakPolarHBondContact O-CG 3.31Å; F78-L82 PolarHBondContact O-N 3.01Å
79L96Very high93Very high62 Ų6226.8 Ų26.833%0.32514%0.137SC..Hα-helixtrans-59.3-44.6175.4-71.1172.6000111.2M75 S76 D77 L82 I110 W156M75-L79 WeakPolarHBondContact O-CG 3.44Å; M75-L79 PolarHBondContact O-N 3.34Å; M75-L79 VanDerWaalsContact O-N 3.12Å; S76-L79 PolarHBondContact O-N 3.02Å; D77-L79 PolarHBondContact O-N 2.87Å; L79-L82 PolarHBondContact O-N 3.28Å; L79-I110 HydrophobicContact CB-CG2 4.1Å; L79-I110 WeakPolarHBondContact O-CG2 3.43Å; L79-W156 HydrophobicContact CD1-CH2 3.94Å; L79-W156 HydrophobicContact CD1-CZ3 4.15Å
80A95.1Very high93.2Very high1 Ų127.6 Ų27.61%0.00814%0.14CC..Hα-helixtrans-62.9-47.5176.900000112.3S76 D77 F78 L82 T83 L84 N114 P298S76-A80 PolarHBondContact O-N 3.45Å; S76-A80 VanDerWaalsContact O-N 3.15Å; D77-A80 PolarHBondContact O-N 2.96Å; F78-A80 VanDerWaalsContact C-N 3.32Å; F78-A80 PolarHBondContact O-N 2.92Å; A80-L82 VanDerWaalsContact C-N 3.28Å; A80-L82 PolarHBondContact O-N 3.12Å; A80-T83 PolarHBondContact O-N 3.37Å; A80-T83 PolarHBondContact O-OG1 2.86Å; A80-L84 PolarHBondContact O-N 2.82Å; A80-N114 HydrophobicContact CB-CB 3.76Å; A80-P298 HydrophobicContact CB-CG 4.12Å
81T95.3Very high93.3Very high0 Ų026.9 Ų26.90%014%0.136CC..Hα-helixtrans-68-27.9-177.958.90000112.7G45 D77 F78 T83 L84 P298 V299G45-T81 PolarHBondContact O-OG1 3.41Å; D77-T81 WeakPolarHBondContact O-CG2 3.46Å; D77-T81 PolarHBondContact O-N 3.23Å; D77-T81 PolarHBondContact O-OG1 3.1Å; F78-T81 WeakPolarHBondContact CA-OG1 3.39Å; F78-T81 PolarHBondContact O-N 3.49Å; F78-T81 PolarHBondContact O-OG1 3.29Å; F78-T81 VanDerWaalsContact O-OG1 3.13Å; T81-T83 PolarHBondContact O-N 3.37Å; T81-L84 HydrophobicContact CG2-CD1 4.21Å; T81-L84 WeakPolarHBondContact O-CB 3.37Å; T81-L84 PolarHBondContact O-N 3.36Å; T81-P298 HydrophobicContact CG2-CB 3.77Å; T81-V299 HydrophobicContact CG2-CG2 4.45Å
82L95.3Very high93.4Very high79 Ų7933 Ų3341%0.41416%0.16SC..Hα-helixtrans-64.3-24.7170.2-78.7178.8000113.8I46 F78 L79 A80 P85I46-L82 HydrophobicContact CD1-CD2 4.26Å; I46-L82 HydrophobicContact CG1-CD2 4.24Å; I46-L82 HydrophobicContact CG2-CD2 4.48Å; F78-L82 HydrophobicContact CD1-CD1 3.8Å; F78-L82 HydrophobicContact CD1-CG 4.31Å; F78-L82 HydrophobicContact CD2-CG 4.47Å; F78-L82 HydrophobicContact CE1-CD1 3.38Å; F78-L82 HydrophobicContact CE1-CD2 4.48Å; F78-L82 HydrophobicContact CE1-CG 4.01Å; F78-L82 HydrophobicContact CE2-CD1 4.42Å; F78-L82 HydrophobicContact CE2-CD2 4.21Å; F78-L82 HydrophobicContact CE2-CG 4.16Å; F78-L82 HydrophobicContact CG-CD1 4.49Å; F78-L82 HydrophobicContact CZ-CD1 3.72Å; F78-L82 HydrophobicContact CZ-CD2 3.96Å; F78-L82 HydrophobicContact CZ-CG 3.93Å; F78-L82 WeakPolarHBondContact O-CB 3.34Å; F78-L82 VanDerWaalsContact O-CG 3.27Å; F78-L82 WeakPolarHBondContact O-CG 3.31Å; F78-L82 PolarHBondContact O-N 3.01Å; L79-L82 PolarHBondContact O-N 3.28Å; A80-L82 VanDerWaalsContact C-N 3.28Å; A80-L82 PolarHBondContact O-N 3.12Å; L82-P85 VanDerWaalsContact O-CD 3.28Å; L82-P85 WeakPolarHBondContact O-CD 3.34Å
83T93.7Very high93.2Very high8 Ų834 Ų345%0.04917%0.167CC..Hα-helixtrans-90.4-11.9177.165.20000113.8A80 T81 L86 I110A80-T83 PolarHBondContact O-N 3.37Å; A80-T83 PolarHBondContact O-OG1 2.86Å; T81-T83 PolarHBondContact O-N 3.37Å; T83-L86 VanDerWaalsContact O-CB 3.31Å; T83-L86 WeakPolarHBondContact O-CB 3.15Å; T83-L86 PolarHBondContact O-N 3.48Å; T83-L86 VanDerWaalsContact O-N 3.12Å; T83-I110 HydrophobicContact CG2-CB 3.93Å; T83-I110 HydrophobicContact CG2-CD1 3.5Å; T83-I110 VanDerWaalsContact CG2-CD1 3.5Å; T83-I110 HydrophobicContact CG2-CG1 4.3Å; T83-I110 HydrophobicContact CG2-CG2 3.78Å
84L92Very high92.9Very high3 Ų335.8 Ų35.82%0.01618%0.18CC..Hα-helixtrans-59.7-33.8177.1-76177.3000115.7A80 T81 L86 F87 T88 F295A80-L84 PolarHBondContact O-N 2.82Å; T81-L84 HydrophobicContact CG2-CD1 4.21Å; T81-L84 WeakPolarHBondContact O-CB 3.37Å; T81-L84 PolarHBondContact O-N 3.36Å; L84-L86 PolarHBondContact O-N 3.49Å; L84-F87 WeakPolarHBondContact O-CB 3.27Å; L84-F87 PolarHBondContact O-N 3.38Å; L84-F87 VanDerWaalsContact O-N 3.1Å; L84-T88 PolarHBondContact O-N 3.36Å; L84-T88 PolarHBondContact O-OG1 2.89Å; L84-F295 HydrophobicContact CD2-CB 3.77Å; L84-F295 HydrophobicContact CD2-CD1 3.42Å; L84-F295 VanDerWaalsContact CD2-CD1 3.42Å; L84-F295 HydrophobicContact CD2-CD2 3.88Å; L84-F295 HydrophobicContact CD2-CE1 3.84Å; L84-F295 HydrophobicContact CD2-CE2 4.29Å; L84-F295 HydrophobicContact CD2-CG 3.44Å; L84-F295 VanDerWaalsContact CD2-CG 3.44Å; L84-F295 HydrophobicContact CD2-CZ 4.27Å; L84-F295 HydrophobicContact CG-CD1 4.14Å
85P94Very high92.7Very high56 Ų5638.1 Ų38.136%0.36419%0.19SC..Hα-helixtrans-58.8-33.2173.9-25.135.6000112.5S42 I46 L82 F87 T88 F89S42-P85 VanDerWaalsContact OG-CD 3.23Å; S42-P85 WeakPolarHBondContact OG-CD 3.41Å; S42-P85 VanDerWaalsContact OG-CG 3.31Å; S42-P85 WeakPolarHBondContact OG-CG 3.41Å; I46-P85 HydrophobicContact CD1-CG 4.41Å; L82-P85 VanDerWaalsContact O-CD 3.28Å; L82-P85 WeakPolarHBondContact O-CD 3.34Å; P85-F87 VanDerWaalsContact C-N 3.35Å; P85-T88 WeakPolarHBondContact O-CB 3.37Å; P85-T88 PolarHBondContact O-N 3.33Å; P85-F89 PolarHBondContact O-N 2.9Å
86L93.1Very high92.4Very high39 Ų3935.1 Ų35.120%0.20418%0.176CC..Hα-helixtrans-66.6-39176.5-50.8-178.8000111T83 L84 T88 F89 Y90 W97 L99 L103 Q107T83-L86 VanDerWaalsContact O-CB 3.31Å; T83-L86 WeakPolarHBondContact O-CB 3.15Å; T83-L86 PolarHBondContact O-N 3.48Å; T83-L86 VanDerWaalsContact O-N 3.12Å; L84-L86 PolarHBondContact O-N 3.49Å; L86-T88 VanDerWaalsContact C-N 3.33Å; L86-F89 PolarHBondContact O-N 2.99Å; L86-Y90 PolarHBondContact O-N 3.4Å; L86-W97 HydrophobicContact CB-CH2 4.12Å; L86-W97 HydrophobicContact CB-CZ3 4.46Å; L86-L99 HydrophobicContact CB-CD1 3.99Å; L86-L99 HydrophobicContact CD2-CD1 3.89Å; L86-L99 HydrophobicContact CG-CD1 4.46Å; L86-L103 HydrophobicContact CD1-CD2 4.31Å; L86-Q107 HydrophobicContact CD1-CB 4.2Å
87F89Confident92.3Very high28 Ų2835.3 Ų35.312%0.12318%0.176CC..Hα-helixtrans-68.1-33.7173.3-139.9-76.7000112.2L84 P85 Y90 F91 F295L84-F87 WeakPolarHBondContact O-CB 3.27Å; L84-F87 PolarHBondContact O-N 3.38Å; L84-F87 VanDerWaalsContact O-N 3.1Å; P85-F87 VanDerWaalsContact C-N 3.35Å; F87-Y90 HydrophobicContact CD1-CD1 4.35Å; F87-Y90 HydrophobicContact CE1-CD1 4.17Å; F87-Y90 HydrophobicContact CE1-CE1 4.5Å; F87-Y90 WeakPolarHBondContact O-CB 3.42Å; F87-Y90 PolarHBondContact O-N 3.31Å; F87-F91 AromaticContact CD1-CD2 3.89Å; F87-F91 HydrophobicContact CD1-CD2 3.89Å; F87-F91 AromaticContact CD1-CE2 3.32Å; F87-F91 HydrophobicContact CD1-CE2 3.32Å; F87-F91 AromaticContact CD1-CZ 3.77Å; F87-F91 HydrophobicContact CD1-CZ 3.77Å; F87-F91 HydrophobicContact CE1-CD2 4.41Å; F87-F91 HydrophobicContact CE1-CE1 4.23Å; F87-F91 AromaticContact CE1-CE2 3.57Å; F87-F91 HydrophobicContact CE1-CE2 3.57Å; F87-F91 AromaticContact CE1-CZ 3.47Å; F87-F91 HydrophobicContact CE1-CZ 3.47Å; F87-F91 VanDerWaalsContact CE1-CZ 3.47Å; F87-F91 VanDerWaalsContact O-CD2 3.26Å; F87-F91 WeakPolarHBondContact O-CD2 3.39Å; F87-F91 PolarHBondContact O-N 2.83Å; F87-F295 AromaticContact CD2-CE2 3.81Å; F87-F295 HydrophobicContact CD2-CE2 3.81Å; F87-F295 HydrophobicContact CD2-CZ 4.19Å; F87-F295 AromaticContact CE2-CE2 3.96Å; F87-F295 HydrophobicContact CE2-CE2 3.96Å; F87-F295 HydrophobicContact CG-CE2 4.39Å
88T91.9Very high92.2Very high21 Ų2139.3 Ų39.313%0.12920%0.195CC..Hα-helixtrans-65.7-42.8174.6-53.80000110.5V35 H38 L84 P85 L86 Y90 F91 Y92V35-T88 HydrophobicContact CG1-CG2 3.81Å; H38-T88 HydrophobicContact CB-CG2 4.45Å; L84-T88 PolarHBondContact O-N 3.36Å; L84-T88 PolarHBondContact O-OG1 2.89Å; P85-T88 WeakPolarHBondContact O-CB 3.37Å; P85-T88 PolarHBondContact O-N 3.33Å; L86-T88 VanDerWaalsContact C-N 3.33Å; T88-Y90 VanDerWaalsContact C-N 3.34Å; T88-Y90 PolarHBondContact O-N 3.1Å; T88-F91 PolarHBondContact O-N 3.25Å; T88-Y92 PolarHBondContact O-N 3.48Å
89F93Very high92.1Very high80 Ų8039.1 Ų39.135%0.35120%0.196SC..Hα-helixtrans-64.4-37173.9-176.8-100.6000112.5P85 L86 Y92 S93 E98 L99P85-F89 PolarHBondContact O-N 2.9Å; L86-F89 PolarHBondContact O-N 2.99Å; F89-Y92 HydrophobicContact CD2-CD1 4.46Å; F89-Y92 HydrophobicContact CE2-CD1 4.45Å; F89-Y92 PolarHBondContact O-N 3.49Å; F89-S93 WeakPolarHBondContact CE1-OG 3.38Å; F89-S93 WeakPolarHBondContact O-CB 3.28Å; F89-S93 PolarHBondContact O-N 2.93Å; F89-S93 PolarHBondContact O-OG 3.45Å; F89-E98 HydrophobicContact CE1-CB 4.19Å; F89-L99 HydrophobicContact CD1-CD1 3.75Å; F89-L99 HydrophobicContact CD1-CD2 3.8Å; F89-L99 HydrophobicContact CD1-CG 3.66Å; F89-L99 HydrophobicContact CE1-CD1 4.46Å; F89-L99 HydrophobicContact CE1-CD2 3.78Å; F89-L99 HydrophobicContact CE1-CG 3.86Å; F89-L99 HydrophobicContact CG-CD1 4.49Å
90Y90.2Very high92Very high29 Ų2937.8 Ų37.811%0.11420%0.197CC..Hα-helixtrans-60-43.9172.2169.7-99.7000112.4L86 F87 T88 S93 H95 W97L86-Y90 PolarHBondContact O-N 3.4Å; F87-Y90 HydrophobicContact CD1-CD1 4.35Å; F87-Y90 HydrophobicContact CE1-CD1 4.17Å; F87-Y90 HydrophobicContact CE1-CE1 4.5Å; F87-Y90 WeakPolarHBondContact O-CB 3.42Å; F87-Y90 PolarHBondContact O-N 3.31Å; T88-Y90 VanDerWaalsContact C-N 3.34Å; T88-Y90 PolarHBondContact O-N 3.1Å; Y90-S93 PolarHBondContact O-N 3.35Å; Y90-H95 HydrophobicContact CE1-CB 3.99Å; Y90-H95 AromaticContact CE1-ND1 3.69Å; Y90-H95 HydrophobicContact CE2-CB 4.21Å; Y90-H95 WeakPolarHBondContact CE2-O 3.42Å; Y90-H95 VanDerWaalsContact O-CA 3.29Å; Y90-H95 WeakPolarHBondContact O-CA 3.44Å; Y90-H95 PolarHBondContact O-N 3.42Å; Y90-H95 PolarHBondContact OH-O 3.28Å; Y90-W97 HydrophobicContact CD2-CB 4.41Å; Y90-W97 HydrophobicContact CD2-CE3 4.29Å
91F88.4Confident92Very high12 Ų1242.7 Ų42.75%0.05322%0.216CC..Hα-helixtrans-66.8-37.5174.6-73.3-53.8000113V34 V35 H38 F87 T88 S93 H95V34-F91 HydrophobicContact CG1-CD1 4.29Å; V34-F91 HydrophobicContact CG1-CD2 4.11Å; V34-F91 HydrophobicContact CG1-CE1 4.36Å; V34-F91 HydrophobicContact CG1-CE2 4.16Å; V34-F91 HydrophobicContact CG1-CG 4.17Å; V34-F91 HydrophobicContact CG1-CZ 4.28Å; V35-F91 HydrophobicContact CG2-CB 3.79Å; H38-F91 AromaticContact CD2-CD2 3.87Å; H38-F91 AromaticContact CD2-CE2 3.51Å; H38-F91 AromaticContact CE1-CE2 3.55Å; H38-F91 AromaticContact CG-CE2 3.9Å; H38-F91 AromaticContact ND1-CE2 3.92Å; H38-F91 AromaticContact NE2-CE2 3.27Å; H38-F91 VanDerWaalsContact NE2-CE2 3.27Å; H38-F91 WeakPolarHBondContact NE2-CE2 3.43Å; H38-F91 AromaticContact NE2-CZ 3.91Å; F87-F91 AromaticContact CD1-CD2 3.89Å; F87-F91 HydrophobicContact CD1-CD2 3.89Å; F87-F91 AromaticContact CD1-CE2 3.32Å; F87-F91 HydrophobicContact CD1-CE2 3.32Å; F87-F91 AromaticContact CD1-CZ 3.77Å; F87-F91 HydrophobicContact CD1-CZ 3.77Å; F87-F91 HydrophobicContact CE1-CD2 4.41Å; F87-F91 HydrophobicContact CE1-CE1 4.23Å; F87-F91 AromaticContact CE1-CE2 3.57Å; F87-F91 HydrophobicContact CE1-CE2 3.57Å; F87-F91 AromaticContact CE1-CZ 3.47Å; F87-F91 HydrophobicContact CE1-CZ 3.47Å; F87-F91 VanDerWaalsContact CE1-CZ 3.47Å; F87-F91 VanDerWaalsContact O-CD2 3.26Å; F87-F91 WeakPolarHBondContact O-CD2 3.39Å; F87-F91 PolarHBondContact O-N 2.83Å; T88-F91 PolarHBondContact O-N 3.25Å; F91-S93 VanDerWaalsContact C-N 3.29Å; F91-S93 PolarHBondContact O-N 2.88Å; F91-H95 AromaticContact CD1-CE1 3.38Å; F91-H95 WeakPolarHBondContact CD1-CE1 3.49Å; F91-H95 AromaticContact CD1-ND1 3.61Å; F91-H95 AromaticContact CE1-CE1 3.53Å; F91-H95 AromaticContact CE1-ND1 3.78Å
92Y91.3Very high92Very high139 Ų13947 Ų4755%0.54524%0.244SC..Hα-helixtrans-64.7-34.4174.7177.7-101.7000112.3V30 T88 F89 S94V30-Y92 HydrophobicContact CG1-CD2 4.35Å; V30-Y92 WeakPolarHBondContact CG2-O 3.46Å; T88-Y92 PolarHBondContact O-N 3.48Å; F89-Y92 HydrophobicContact CD2-CD1 4.46Å; F89-Y92 HydrophobicContact CE2-CD1 4.45Å; F89-Y92 PolarHBondContact O-N 3.49Å; Y92-S94 PolarHBondContact O-N 2.69Å; Y92-S94 VanDerWaalsContact O-N 3.17Å
93S90.3Very high92Very high27 Ų2746.3 Ų46.319%0.18924%0.241CC..THydrogen-bonded Turntrans-87.133.4-179.6-52.60000112.7F89 Y90 F91 H95 S96F89-S93 WeakPolarHBondContact CE1-OG 3.38Å; F89-S93 WeakPolarHBondContact O-CB 3.28Å; F89-S93 PolarHBondContact O-N 2.93Å; F89-S93 PolarHBondContact O-OG 3.45Å; Y90-S93 PolarHBondContact O-N 3.35Å; F91-S93 VanDerWaalsContact C-N 3.29Å; F91-S93 PolarHBondContact O-N 2.88Å; S93-H95 VanDerWaalsContact C-N 3.26Å; S93-H95 PolarHBondContact O-N 3.46Å; S93-S96 WeakPolarHBondContact O-CB 3.32Å; S93-S96 PolarHBondContact O-N 2.82Å
94S87.3Confident92.1Very high40 Ų4046 Ų4628%0.2824%0.238SC..THydrogen-bonded Turntrans52.840.8179.4-59.20000114.1T28 V30 Y92 S96 R179T28-S94 WeakPolarHBondContact O-CB 3.5Å; T28-S94 PolarHBondContact O-OG 2.88Å; V30-S94 WeakPolarHBondContact CG2-OG 3.44Å; Y92-S94 PolarHBondContact O-N 2.69Å; Y92-S94 VanDerWaalsContact O-N 3.17Å; S94-S96 VanDerWaalsContact C-N 3.3Å; S94-S96 PolarHBondContact O-N 3.4Å; S94-R179 PolarHBondContact O-NH1 3.29Å
95H86.5Confident92.2Very high53 Ų5347.6 Ų47.625%0.24525%0.247CC..THydrogen-bonded Turntrans6234.7-175.7-53.2-93000113.3Y90 F91 S93Y90-H95 HydrophobicContact CE1-CB 3.99Å; Y90-H95 AromaticContact CE1-ND1 3.69Å; Y90-H95 HydrophobicContact CE2-CB 4.21Å; Y90-H95 WeakPolarHBondContact CE2-O 3.42Å; Y90-H95 VanDerWaalsContact O-CA 3.29Å; Y90-H95 WeakPolarHBondContact O-CA 3.44Å; Y90-H95 PolarHBondContact O-N 3.42Å; Y90-H95 PolarHBondContact OH-O 3.28Å; F91-H95 AromaticContact CD1-CE1 3.38Å; F91-H95 WeakPolarHBondContact CD1-CE1 3.49Å; F91-H95 AromaticContact CD1-ND1 3.61Å; F91-H95 AromaticContact CE1-CE1 3.53Å; F91-H95 AromaticContact CE1-ND1 3.78Å; S93-H95 VanDerWaalsContact C-N 3.26Å; S93-H95 PolarHBondContact O-N 3.46Å
96S90.3Very high92.3Very high6 Ų648.2 Ų48.24%0.04225%0.249CC..  trans-108.8137.6171.4-162.10000111.4S93 S94 E98 R179 K180S93-S96 WeakPolarHBondContact O-CB 3.32Å; S93-S96 PolarHBondContact O-N 2.82Å; S94-S96 VanDerWaalsContact C-N 3.3Å; S94-S96 PolarHBondContact O-N 3.4Å; S96-E98 WeakPolarHBondContact CB-OE1 3.41Å; S96-E98 PolarHBondContact O-N 3.39Å; S96-E98 PolarHBondContact OG-OE1 2.78Å; S96-R179 WeakPolarHBondContact OG-CA 3.16Å; S96-K180 PolarHBondContact OG-N 3.04Å
97W93.6Very high92.3Very high3 Ų346.8 Ų46.81%0.01124%0.242CC..  trans-93.490178.6-175-91.7000111.6L86 Y90 L99 G100 L103 C104 Q107 K180 C182L86-W97 HydrophobicContact CB-CH2 4.12Å; L86-W97 HydrophobicContact CB-CZ3 4.46Å; Y90-W97 HydrophobicContact CD2-CB 4.41Å; Y90-W97 HydrophobicContact CD2-CE3 4.29Å; W97-L99 HydrophobicContact CH2-CB 4.29Å; W97-L99 HydrophobicContact CH2-CD1 3.85Å; W97-L99 HydrophobicContact CZ2-CB 3.7Å; W97-L99 HydrophobicContact CZ2-CD1 4.12Å; W97-L99 HydrophobicContact CZ3-CD1 4.21Å; W97-G100 PolarHBondContact NE1-O 2.88Å; W97-L103 HydrophobicContact CH2-CB 4.49Å; W97-L103 HydrophobicContact CZ2-CB 3.76Å; W97-C104 VanDerWaalsContact CZ2-CA 3.47Å; W97-C104 HydrophobicContact CZ2-CB 4.08Å; W97-Q107 HydrophobicContact CH2-CB 4.3Å; W97-K180 HydrophobicContact CB-CB 4.36Å; W97-K180 WeakPolarHBondContact CB-O 3.27Å; W97-K180 PolarHBondContact N-O 3.39Å; W97-K180 VanDerWaalsContact O-CB 3.24Å; W97-K180 WeakPolarHBondContact O-CB 3.28Å; W97-C182 HydrophobicContact CB-CB 4.02Å; W97-C182 HydrophobicContact CD2-CB 3.82Å; W97-C182 HydrophobicContact CE3-CB 4.27Å; W97-C182 HydrophobicContact CG-CB 3.66Å
98E94.5Very high92.5Very high85 Ų8545.8 Ų45.840%0.39724%0.238SC..  trans-93.2-0.3-177.8-57.2-54.414700114.6F89 S96 G100 K180F89-E98 HydrophobicContact CE1-CB 4.19Å; S96-E98 WeakPolarHBondContact CB-OE1 3.41Å; S96-E98 PolarHBondContact O-N 3.39Å; S96-E98 PolarHBondContact OG-OE1 2.78Å; E98-G100 VanDerWaalsContact C-N 3.26Å; E98-G100 PolarHBondContact O-N 3.21Å; E98-K180 IonicContact OE2-NZ 2.76Å; E98-K180 PolarHBondContact OE2-NZ 3.33Å
99L93.7Very high92.7Very high51 Ų5145.9 Ų45.927%0.26724%0.239SC..SBendtrans-85.85.9-173.5-63.8171.8000113.9L86 F89 W97 L103L86-L99 HydrophobicContact CB-CD1 3.99Å; L86-L99 HydrophobicContact CD2-CD1 3.89Å; L86-L99 HydrophobicContact CG-CD1 4.46Å; F89-L99 HydrophobicContact CD1-CD1 3.75Å; F89-L99 HydrophobicContact CD1-CD2 3.8Å; F89-L99 HydrophobicContact CD1-CG 3.66Å; F89-L99 HydrophobicContact CE1-CD1 4.46Å; F89-L99 HydrophobicContact CE1-CD2 3.78Å; F89-L99 HydrophobicContact CE1-CG 3.86Å; F89-L99 HydrophobicContact CG-CD1 4.49Å; W97-L99 HydrophobicContact CH2-CB 4.29Å; W97-L99 HydrophobicContact CH2-CD1 3.85Å; W97-L99 HydrophobicContact CZ2-CB 3.7Å; W97-L99 HydrophobicContact CZ2-CD1 4.12Å; W97-L99 HydrophobicContact CZ3-CD1 4.21Å; L99-L103 HydrophobicContact CB-CB 4.16Å; L99-L103 HydrophobicContact CB-CD1 3.87Å; L99-L103 HydrophobicContact CD2-CD1 4.48Å
100G93.9Very high92.9Very high33 Ų3343.8 Ų43.834%0.3423%0.231SC..Hα-helixtrans76175.2176.600000115.1W97 E98 C104W97-G100 PolarHBondContact NE1-O 2.88Å; E98-G100 VanDerWaalsContact C-N 3.26Å; E98-G100 PolarHBondContact O-N 3.21Å; G100-C104 PolarHBondContact O-N 3.39Å
101Y94.1Very high93.1Very high104 Ų10443 Ų4341%0.40823%0.229SC..Hα-helixtrans-63.9-45-173.3177.4-108.2000115L103 C104 I105 R170 V172Y101-L103 PolarHBondContact O-N 3.01Å; Y101-C104 WeakPolarHBondContact O-CB 3.45Å; Y101-C104 PolarHBondContact O-N 3.34Å; Y101-C104 VanDerWaalsContact O-N 3.16Å; Y101-I105 HydrophobicContact CD1-CD1 3.87Å; Y101-I105 HydrophobicContact CD2-CD1 4.25Å; Y101-I105 HydrophobicContact CE1-CD1 3.28Å; Y101-I105 HydrophobicContact CE1-CG1 4.44Å; Y101-I105 HydrophobicContact CE2-CD1 3.7Å; Y101-I105 HydrophobicContact CE2-CG1 4.1Å; Y101-I105 HydrophobicContact CG-CD1 4.33Å; Y101-I105 PolarHBondContact O-N 3.4Å; Y101-I105 WeakPolarHBondContact OH-CD1 3.33Å; Y101-R170 WeakPolarHBondContact CE2-O 3.11Å; Y101-V172 HydrophobicContact CD2-CG2 4.41Å
102P95.3Very high93.5Very high90 Ų9042.6 Ų42.658%0.58423%0.227SC*.Hα-helixtrans-60.5-44.1-176.8-24.735000113.2C104 I105 V106P102-C104 VanDerWaalsContact C-N 3.33Å; P102-C104 PolarHBondContact O-N 2.85Å; P102-I105 PolarHBondContact O-N 3.36Å; P102-V106 WeakPolarHBondContact O-CG2 3.45Å; P102-V106 PolarHBondContact O-N 2.96Å
103L95.4Very high93.8Very high66 Ų6637.4 Ų37.435%0.34621%0.207SC..Hα-helixtrans-70.1-30.5179.4-70.5175.9000112L86 W97 L99 Y101 V106 Q107L86-L103 HydrophobicContact CD1-CD2 4.31Å; W97-L103 HydrophobicContact CH2-CB 4.49Å; W97-L103 HydrophobicContact CZ2-CB 3.76Å; L99-L103 HydrophobicContact CB-CB 4.16Å; L99-L103 HydrophobicContact CB-CD1 3.87Å; L99-L103 HydrophobicContact CD2-CD1 4.48Å; Y101-L103 PolarHBondContact O-N 3.01Å; L103-V106 PolarHBondContact O-N 3.13Å; L103-Q107 VanDerWaalsContact O-CB 3.24Å; L103-Q107 WeakPolarHBondContact O-CB 3.45Å; L103-Q107 PolarHBondContact O-N 3.17Å
104C95.4Very high94Very high0 Ų036.3 Ų36.30%020%0.199CC..Hα-helixtrans-61.1-46.2174.9168.70000110.9W97 G100 Y101 P102 T108 V172 C182W97-C104 VanDerWaalsContact CZ2-CA 3.47Å; W97-C104 HydrophobicContact CZ2-CB 4.08Å; G100-C104 PolarHBondContact O-N 3.39Å; Y101-C104 WeakPolarHBondContact O-CB 3.45Å; Y101-C104 PolarHBondContact O-N 3.34Å; Y101-C104 VanDerWaalsContact O-N 3.16Å; P102-C104 VanDerWaalsContact C-N 3.33Å; P102-C104 PolarHBondContact O-N 2.85Å; C104-T108 VanDerWaalsContact O-CB 3.32Å; C104-T108 WeakPolarHBondContact O-CB 3.34Å; C104-T108 PolarHBondContact O-N 3.46Å; C104-T108 PolarHBondContact O-OG1 3.49Å; C104-V172 HydrophobicContact CB-CG2 3.73Å; C104-C182 WeakPolarHBondContact CA-SG 3.33Å; C104-C182 HydrophobicContact CB-CB 3.88Å; C104-C182 WeakPolarHBondContact CB-SG 3.38Å; C104-C182 VanDerWaalsContact SG-CA 3.58Å; C104-C182 WeakPolarHBondContact SG-CB 3.34Å; C104-C182 CovalentContact SG-SG 2.03Å; C104-C182 PolarHBondContact SG-SG 3.31Å
105I95.4Very high94.4Very high37 Ų3734.4 Ų34.419%0.1919%0.186CC..Hα-helixtrans-65.7-52.4176.2-63.8163.7000110.1Y101 P102 Q107 T108 S109 R170Y101-I105 HydrophobicContact CD1-CD1 3.87Å; Y101-I105 HydrophobicContact CD2-CD1 4.25Å; Y101-I105 HydrophobicContact CE1-CD1 3.28Å; Y101-I105 HydrophobicContact CE1-CG1 4.44Å; Y101-I105 HydrophobicContact CE2-CD1 3.7Å; Y101-I105 HydrophobicContact CE2-CG1 4.1Å; Y101-I105 HydrophobicContact CG-CD1 4.33Å; Y101-I105 PolarHBondContact O-N 3.4Å; Y101-I105 WeakPolarHBondContact OH-CD1 3.33Å; P102-I105 PolarHBondContact O-N 3.36Å; I105-Q107 PolarHBondContact O-N 3.29Å; I105-T108 PolarHBondContact O-N 2.96Å; I105-S109 WeakPolarHBondContact CG2-OG 3.33Å; I105-S109 VanDerWaalsContact O-CB 3.26Å; I105-S109 WeakPolarHBondContact O-CB 3.24Å; I105-S109 PolarHBondContact O-N 2.66Å; I105-S109 PolarHBondContact O-OG 3.27Å; I105-R170 HydrophobicContact CG1-CB 4.29Å
106V94.9Very high94.9Very high69 Ų6931.9 Ų31.942%0.41817%0.174SC..Hα-helixtrans-57.7-49.5-175.4168.10000111.3P102 L103 T108 S109 I110P102-V106 WeakPolarHBondContact O-CG2 3.45Å; P102-V106 PolarHBondContact O-N 2.96Å; L103-V106 PolarHBondContact O-N 3.13Å; V106-T108 PolarHBondContact O-N 3.46Å; V106-S109 PolarHBondContact O-N 3.4Å; V106-I110 HydrophobicContact CG1-CD1 3.7Å; V106-I110 WeakPolarHBondContact O-CB 3.3Å; V106-I110 WeakPolarHBondContact O-CG1 3.41Å; V106-I110 PolarHBondContact O-N 3.32Å
107Q94Very high95.2Very high9 Ų931.6 Ų31.64%0.04217%0.172CC..Hα-helixtrans-57.4-50178176.3-178.9-53.600111.5L86 W97 L103 I105 S109 I110 F111L86-Q107 HydrophobicContact CD1-CB 4.2Å; W97-Q107 HydrophobicContact CH2-CB 4.3Å; L103-Q107 VanDerWaalsContact O-CB 3.24Å; L103-Q107 WeakPolarHBondContact O-CB 3.45Å; L103-Q107 PolarHBondContact O-N 3.17Å; I105-Q107 PolarHBondContact O-N 3.29Å; Q107-S109 VanDerWaalsContact C-N 3.35Å; Q107-S109 PolarHBondContact O-N 2.81Å; Q107-I110 PolarHBondContact O-N 3.03Å; Q107-F111 PolarHBondContact O-N 3.36Å
108T93.5Very high95.2Very high7 Ų731.4 Ų31.44%0.04317%0.172CC..Hα-helixtrans-66.8-40.4-176.1-54.60000111.2C104 I105 V106 F111 F112 R170C104-T108 VanDerWaalsContact O-CB 3.32Å; C104-T108 WeakPolarHBondContact O-CB 3.34Å; C104-T108 PolarHBondContact O-N 3.46Å; C104-T108 PolarHBondContact O-OG1 3.49Å; I105-T108 PolarHBondContact O-N 2.96Å; V106-T108 PolarHBondContact O-N 3.46Å; T108-F111 PolarHBondContact O-N 3.48Å; T108-F112 HydrophobicContact CG2-CD2 3.65Å; T108-F112 HydrophobicContact CG2-CE2 3.36Å; T108-F112 WeakPolarHBondContact O-CD2 3.32Å; T108-F112 PolarHBondContact O-N 3.13Å; T108-F112 VanDerWaalsContact O-N 3.13Å; T108-R170 HydrophobicContact CG2-CG 4.39Å; T108-R170 PolarHBondContact OG1-NE 2.89Å; T108-R170 PolarHBondContact OG1-NH2 2.88Å
109S96Very high95.2Very high23 Ų2327.4 Ų27.416%0.16115%0.153CC..Hα-helixtrans-61.1-48.7177.3-540000110.4I105 V106 Q107 F111 F112 F113 T163 S167I105-S109 WeakPolarHBondContact CG2-OG 3.33Å; I105-S109 VanDerWaalsContact O-CB 3.26Å; I105-S109 WeakPolarHBondContact O-CB 3.24Å; I105-S109 PolarHBondContact O-N 2.66Å; I105-S109 PolarHBondContact O-OG 3.27Å; V106-S109 PolarHBondContact O-N 3.4Å; Q107-S109 VanDerWaalsContact C-N 3.35Å; Q107-S109 PolarHBondContact O-N 2.81Å; S109-F111 VanDerWaalsContact C-N 3.32Å; S109-F111 PolarHBondContact O-N 3.35Å; S109-F112 PolarHBondContact O-N 2.84Å; S109-F113 WeakPolarHBondContact O-CB 3.26Å; S109-F113 PolarHBondContact O-N 2.71Å; S109-T163 VanDerWaalsContact O-CG2 3.26Å; S109-T163 WeakPolarHBondContact O-CG2 3.43Å; S109-S167 WeakPolarHBondContact OG-CB 3.28Å; S109-S167 PolarHBondContact OG-OG 3.23Å
110I96.6Very high95.2Very high36 Ų3627.9 Ų27.919%0.18515%0.153CC..Hα-helixtrans-63.2-39.3179.6-71.7170.6000111.4L79 T83 V106 Q107 F113 N114L79-I110 HydrophobicContact CB-CG2 4.1Å; L79-I110 WeakPolarHBondContact O-CG2 3.43Å; T83-I110 HydrophobicContact CG2-CB 3.93Å; T83-I110 HydrophobicContact CG2-CD1 3.5Å; T83-I110 VanDerWaalsContact CG2-CD1 3.5Å; T83-I110 HydrophobicContact CG2-CG1 4.3Å; T83-I110 HydrophobicContact CG2-CG2 3.78Å; V106-I110 HydrophobicContact CG1-CD1 3.7Å; V106-I110 WeakPolarHBondContact O-CB 3.3Å; V106-I110 WeakPolarHBondContact O-CG1 3.41Å; V106-I110 PolarHBondContact O-N 3.32Å; Q107-I110 PolarHBondContact O-N 3.03Å; I110-F113 PolarHBondContact O-N 2.94Å; I110-N114 WeakPolarHBondContact O-CB 3.34Å; I110-N114 PolarHBondContact O-N 3.19Å
111F94.9Very high95.2Very high13 Ų1326.3 Ų26.36%0.05714%0.137CC..Hα-helixtrans-58-52.5175.6172.4-102.6000112.1Q107 T108 S109 N114 M115 W260 Y263 A294 F295Q107-F111 PolarHBondContact O-N 3.36Å; T108-F111 PolarHBondContact O-N 3.48Å; S109-F111 VanDerWaalsContact C-N 3.32Å; S109-F111 PolarHBondContact O-N 3.35Å; F111-N114 PolarHBondContact O-N 2.96Å; F111-M115 PolarHBondContact O-N 3.43Å; F111-W260 HydrophobicContact CZ-CZ3 4.28Å; F111-Y263 HydrophobicContact CE1-CE1 4.04Å; F111-Y263 HydrophobicContact CE1-CE2 4.04Å; F111-Y263 AromaticContact CE1-CZ 3.65Å; F111-Y263 HydrophobicContact CZ-CD1 4.49Å; F111-Y263 HydrophobicContact CZ-CD2 4.33Å; F111-Y263 HydrophobicContact CZ-CE1 4.2Å; F111-Y263 HydrophobicContact CZ-CE2 4.02Å; F111-Y263 AromaticContact CZ-CZ 3.97Å; F111-A294 HydrophobicContact CE2-CB 4.07Å; F111-A294 HydrophobicContact CZ-CB 4.16Å; F111-F295 HydrophobicContact CB-CE1 4.38Å; F111-F295 HydrophobicContact CB-CZ 4.2Å; F111-F295 HydrophobicContact CD2-CD1 4Å; F111-F295 HydrophobicContact CD2-CD2 4.44Å; F111-F295 AromaticContact CD2-CE1 3.38Å; F111-F295 HydrophobicContact CD2-CE1 3.38Å; F111-F295 AromaticContact CD2-CE2 3.86Å; F111-F295 HydrophobicContact CD2-CE2 3.86Å; F111-F295 AromaticContact CD2-CZ 3.28Å; F111-F295 HydrophobicContact CD2-CZ 3.28Å; F111-F295 HydrophobicContact CE2-CD1 4.33Å; F111-F295 HydrophobicContact CE2-CD2 4.29Å; F111-F295 HydrophobicContact CE2-CE1 4.08Å; F111-F295 AromaticContact CE2-CE2 4Å; F111-F295 HydrophobicContact CE2-CE2 4Å; F111-F295 HydrophobicContact CE2-CG 4.44Å; F111-F295 AromaticContact CE2-CZ 3.9Å; F111-F295 HydrophobicContact CE2-CZ 3.9Å; F111-F295 HydrophobicContact CG-CE1 4.3Å; F111-F295 HydrophobicContact CG-CZ 4.01Å
112F95.9Very high95Very high3 Ų321.7 Ų21.71%0.01312%0.119CC..Hα-helixtrans-69.7-35.2179.2-70.3-60.1000112.6T108 S109 M115 F116 T163 Y166 H184 K211 Y263T108-F112 HydrophobicContact CG2-CD2 3.65Å; T108-F112 HydrophobicContact CG2-CE2 3.36Å; T108-F112 WeakPolarHBondContact O-CD2 3.32Å; T108-F112 PolarHBondContact O-N 3.13Å; T108-F112 VanDerWaalsContact O-N 3.13Å; S109-F112 PolarHBondContact O-N 2.84Å; F112-M115 HydrophobicContact CD1-CE 3.69Å; F112-M115 HydrophobicContact CD1-SD 4.27Å; F112-M115 HydrophobicContact CE1-CE 4.42Å; F112-M115 WeakPolarHBondContact O-CB 3.5Å; F112-M115 PolarHBondContact O-N 3.34Å; F112-F116 WeakPolarHBondContact O-CD2 3.48Å; F112-F116 PolarHBondContact O-N 3.37Å; F112-T163 HydrophobicContact CB-CG2 4.14Å; F112-Y166 HydrophobicContact CB-CD2 4.45Å; F112-Y166 HydrophobicContact CB-CG 4.49Å; F112-Y166 HydrophobicContact CD1-CD1 4.27Å; F112-Y166 HydrophobicContact CD1-CG 4.36Å; F112-Y166 HydrophobicContact CD2-CD1 4.04Å; F112-Y166 HydrophobicContact CD2-CD2 4.48Å; F112-Y166 AromaticContact CD2-CG 3.72Å; F112-Y166 HydrophobicContact CD2-CG 3.72Å; F112-Y166 HydrophobicContact CE1-CD1 4.05Å; F112-Y166 HydrophobicContact CE1-CE1 4.33Å; F112-Y166 AromaticContact CE2-CD1 3.8Å; F112-Y166 HydrophobicContact CE2-CD1 3.8Å; F112-Y166 AromaticContact CE2-CG 3.93Å; F112-Y166 HydrophobicContact CE2-CG 3.93Å; F112-Y166 HydrophobicContact CG-CD1 4.27Å; F112-Y166 HydrophobicContact CG-CD2 4.33Å; F112-Y166 AromaticContact CG-CG 3.95Å; F112-Y166 HydrophobicContact CG-CG 3.95Å; F112-Y166 AromaticContact CZ-CD1 3.81Å; F112-Y166 HydrophobicContact CZ-CD1 3.81Å; F112-Y166 HydrophobicContact CZ-CE1 4.45Å; F112-Y166 HydrophobicContact CZ-CG 4.35Å; F112-H184 AromaticContact CE2-NE2 3.73Å; F112-H184 AromaticContact CZ-CE1 4Å; F112-H184 AromaticContact CZ-NE2 3.99Å; F112-K211 HydrophobicContact CE1-CD 4.26Å; F112-Y263 HydrophobicContact CE1-CE1 4.41Å; F112-Y263 WeakPolarHBondContact CE1-OH 3.26Å; F112-Y263 WeakPolarHBondContact CZ-OH 3.13Å
113F97.3Very high94.8Very high30 Ų3018 Ų1813%0.13210%0.096CC..Hα-helixtrans-61-48.2175.3-175.4-104.1000111.4S109 I110 M115 F116 V117 W156 A159 A160 T163S109-F113 WeakPolarHBondContact O-CB 3.26Å; S109-F113 PolarHBondContact O-N 2.71Å; I110-F113 PolarHBondContact O-N 2.94Å; F113-M115 PolarHBondContact O-N 2.88Å; F113-F116 PolarHBondContact O-N 3.34Å; F113-V117 HydrophobicContact CD1-CG2 4.17Å; F113-V117 HydrophobicContact CD2-CG2 4.39Å; F113-V117 HydrophobicContact CE1-CG2 3.72Å; F113-V117 HydrophobicContact CE2-CG2 3.96Å; F113-V117 HydrophobicContact CG-CG2 4.47Å; F113-V117 HydrophobicContact CZ-CG2 3.59Å; F113-V117 WeakPolarHBondContact O-CG2 3.09Å; F113-V117 PolarHBondContact O-N 3.31Å; F113-W156 HydrophobicContact CE1-CD2 4.25Å; F113-W156 AromaticContact CE1-CE3 3.58Å; F113-W156 HydrophobicContact CE1-CE3 3.58Å; F113-W156 HydrophobicContact CE1-CH2 4.07Å; F113-W156 AromaticContact CE1-CZ3 3.46Å; F113-W156 HydrophobicContact CE1-CZ3 3.46Å; F113-W156 VanDerWaalsContact CE1-CZ3 3.46Å; F113-W156 WeakPolarHBondContact CE2-O 3.36Å; F113-W156 HydrophobicContact CZ-CB 4.44Å; F113-W156 AromaticContact CZ-CD2 3.9Å; F113-W156 HydrophobicContact CZ-CD2 3.9Å; F113-W156 AromaticContact CZ-CE3 3.33Å; F113-W156 HydrophobicContact CZ-CE3 3.33Å; F113-W156 HydrophobicContact CZ-CG 4.41Å; F113-W156 AromaticContact CZ-CZ3 3.74Å; F113-W156 HydrophobicContact CZ-CZ3 3.74Å; F113-A159 HydrophobicContact CD2-CB 3.9Å; F113-A159 HydrophobicContact CE2-CB 3.73Å; F113-A159 HydrophobicContact CZ-CB 4.47Å; F113-A160 HydrophobicContact CD2-CB 4.45Å; F113-A160 HydrophobicContact CE2-CB 3.96Å; F113-T163 WeakPolarHBondContact CA-OG1 3.48Å; F113-T163 HydrophobicContact CB-CG2 4.24Å; F113-T163 PolarHBondContact N-OG1 3.1Å
114N96.2Very high94.7Very high4 Ų415.6 Ų15.62%0.0219%0.086CC..Hα-helixtrans-57.7-47.7173.5172.5-90000111.4S76 D77 A80 I110 F111 F116 V117 S118S76-N114 PolarHBondContact O-ND2 3.13Å; D77-N114 WeakPolarHBondContact CA-ND2 3.49Å; D77-N114 PolarHBondContact N-ND2 3.38Å; D77-N114 PolarHBondContact OD1-ND2 2.84Å; A80-N114 HydrophobicContact CB-CB 3.76Å; I110-N114 WeakPolarHBondContact O-CB 3.34Å; I110-N114 PolarHBondContact O-N 3.19Å; F111-N114 PolarHBondContact O-N 2.96Å; N114-F116 VanDerWaalsContact C-N 3.32Å; N114-F116 PolarHBondContact O-N 3.36Å; N114-V117 PolarHBondContact O-N 3.47Å; N114-S118 PolarHBondContact ND2-OG 2.95Å; N114-S118 VanDerWaalsContact O-CB 3.24Å; N114-S118 WeakPolarHBondContact O-CB 2.96Å; N114-S118 PolarHBondContact O-N 2.91Å; N114-S118 PolarHBondContact O-OG 3.45Å
115M95.5Very high94.3Very high0 Ų016.1 Ų16.10%09%0.089CC..Hα-helixtrans-51-50.4177.6178.4-17674.700111.9F111 F112 F113 A119 K211 A215 W260 Y263F111-M115 PolarHBondContact O-N 3.43Å; F112-M115 HydrophobicContact CD1-CE 3.69Å; F112-M115 HydrophobicContact CD1-SD 4.27Å; F112-M115 HydrophobicContact CE1-CE 4.42Å; F112-M115 WeakPolarHBondContact O-CB 3.5Å; F112-M115 PolarHBondContact O-N 3.34Å; F113-M115 PolarHBondContact O-N 2.88Å; M115-A119 WeakPolarHBondContact O-CB 3.46Å; M115-A119 PolarHBondContact O-N 3.44Å; M115-A119 VanDerWaalsContact O-N 3.16Å; M115-K211 HydrophobicContact CE-CB 3.7Å; M115-A215 HydrophobicContact CE-CB 3.79Å; M115-A215 HydrophobicContact CG-CB 3.65Å; M115-A215 HydrophobicContact SD-CB 3.99Å; M115-W260 VanDerWaalsContact CA-CH2 3.47Å; M115-W260 HydrophobicContact CB-CH2 3.35Å; M115-W260 HydrophobicContact CB-CZ2 4.22Å; M115-W260 HydrophobicContact CB-CZ3 3.52Å; M115-W260 HydrophobicContact CG-CE3 3.84Å; M115-W260 HydrophobicContact CG-CH2 3.59Å; M115-W260 HydrophobicContact CG-CZ2 4.36Å; M115-W260 HydrophobicContact CG-CZ3 3.27Å; M115-W260 HydrophobicContact SD-CE3 4.24Å; M115-W260 HydrophobicContact SD-CZ3 3.78Å; M115-Y263 HydrophobicContact SD-CE1 4.27Å
116F96.8Very high93.8Very high0 Ų014.5 Ų14.50%08%0.081CC..Hα-helixtrans-69.7-45.6179.8-72.2-62.4000113F112 F113 N114 F120 W158 A159 N162 Y166 K211 L214 A215F112-F116 WeakPolarHBondContact O-CD2 3.48Å; F112-F116 PolarHBondContact O-N 3.37Å; F113-F116 PolarHBondContact O-N 3.34Å; N114-F116 VanDerWaalsContact C-N 3.32Å; N114-F116 PolarHBondContact O-N 3.36Å; F116-F120 WeakPolarHBondContact O-CB 3.42Å; F116-F120 PolarHBondContact O-N 3.38Å; F116-W158 HydrophobicContact CB-CE3 4.36Å; F116-W158 HydrophobicContact CB-CH2 4.49Å; F116-W158 HydrophobicContact CB-CZ3 3.78Å; F116-W158 AromaticContact CD1-CH2 3.67Å; F116-W158 HydrophobicContact CD1-CH2 3.67Å; F116-W158 AromaticContact CD1-CZ3 3.82Å; F116-W158 HydrophobicContact CD1-CZ3 3.82Å; F116-W158 HydrophobicContact CE1-CH2 4.4Å; F116-W158 HydrophobicContact CG-CH2 4.47Å; F116-W158 HydrophobicContact CG-CZ3 4.2Å; F116-A159 HydrophobicContact CB-CB 3.56Å; F116-N162 HydrophobicContact CD1-CB 4.17Å; F116-N162 HydrophobicContact CD2-CB 3.81Å; F116-N162 HydrophobicContact CE1-CB 3.99Å; F116-N162 HydrophobicContact CE2-CB 3.64Å; F116-N162 HydrophobicContact CG-CB 4.1Å; F116-N162 HydrophobicContact CZ-CB 3.73Å; F116-Y166 HydrophobicContact CE2-CD2 4.38Å; F116-Y166 AromaticContact CE2-CE2 3.85Å; F116-Y166 HydrophobicContact CE2-CE2 3.85Å; F116-Y166 AromaticContact CZ-CE2 4Å; F116-Y166 HydrophobicContact CZ-CE2 4Å; F116-K211 HydrophobicContact CZ-CB 4.25Å; F116-L214 HydrophobicContact CE1-CB 4.06Å; F116-A215 HydrophobicContact CD1-CB 3.71Å; F116-A215 HydrophobicContact CE1-CB 3.76Å
117V96.6Very high93.6Very high0 Ų014.9 Ų14.90%08%0.08CC..Hα-helixtrans-63.3-49.8180173.80000110.9F113 N114 A119 F120 L121 A159F113-V117 HydrophobicContact CD1-CG2 4.17Å; F113-V117 HydrophobicContact CD2-CG2 4.39Å; F113-V117 HydrophobicContact CE1-CG2 3.72Å; F113-V117 HydrophobicContact CE2-CG2 3.96Å; F113-V117 HydrophobicContact CG-CG2 4.47Å; F113-V117 HydrophobicContact CZ-CG2 3.59Å; F113-V117 WeakPolarHBondContact O-CG2 3.09Å; F113-V117 PolarHBondContact O-N 3.31Å; N114-V117 PolarHBondContact O-N 3.47Å; V117-A119 PolarHBondContact O-N 2.97Å; V117-F120 PolarHBondContact O-N 3.2Å; V117-L121 HydrophobicContact CG1-CD1 3.53Å; V117-L121 HydrophobicContact CG1-CG 4.08Å; V117-L121 WeakPolarHBondContact O-CB 3.24Å; V117-L121 VanDerWaalsContact O-CG 3.27Å; V117-L121 WeakPolarHBondContact O-CG 3.42Å; V117-L121 PolarHBondContact O-N 3.16Å; V117-A159 HydrophobicContact CB-CB 4.38Å; V117-A159 HydrophobicContact CG2-CB 3.31Å
118S93.6Very high93.3Very high0 Ų015.5 Ų15.50%08%0.083CC..Hα-helixtrans-63.9-41-177.4-64.90000111.2L73 S76 D77 N114 L121 L122L73-S118 WeakPolarHBondContact CD1-OG 3.48Å; S76-S118 PolarHBondContact OG-OG 2.86Å; D77-S118 PolarHBondContact OD1-OG 3.41Å; N114-S118 PolarHBondContact ND2-OG 2.95Å; N114-S118 VanDerWaalsContact O-CB 3.24Å; N114-S118 WeakPolarHBondContact O-CB 2.96Å; N114-S118 PolarHBondContact O-N 2.91Å; N114-S118 PolarHBondContact O-OG 3.45Å; S118-L121 PolarHBondContact O-N 3.24Å; S118-L122 WeakPolarHBondContact O-CB 3.24Å; S118-L122 WeakPolarHBondContact O-CG 3.43Å; S118-L122 PolarHBondContact O-N 3.44Å
119A93.5Very high92.8Very high1 Ų117.9 Ų17.91%0.0089%0.092CC..Hα-helixtrans-63-44.7175.400000112.8M115 V117 A123 A215 P219 F256M115-A119 WeakPolarHBondContact O-CB 3.46Å; M115-A119 PolarHBondContact O-N 3.44Å; M115-A119 VanDerWaalsContact O-N 3.16Å; V117-A119 PolarHBondContact O-N 2.97Å; A119-A123 WeakPolarHBondContact O-CB 3.21Å; A119-A123 PolarHBondContact O-N 2.89Å; A119-A123 VanDerWaalsContact O-N 3.09Å; A119-A215 WeakPolarHBondContact CB-O 3.47Å; A119-P219 HydrophobicContact CB-CB 4.03Å; A119-P219 HydrophobicContact CB-CG 3.8Å; A119-F256 HydrophobicContact CB-CE2 4.3Å; A119-F256 HydrophobicContact CB-CZ 4.31Å
120F95.3Very high92.3Very high60 Ų6018.2 Ų18.226%0.2639%0.092SC..Hα-helixtrans-61.1-47.4175.2172.7-92.5000111.8F116 V117 A123 A124 L151 W158F116-F120 WeakPolarHBondContact O-CB 3.42Å; F116-F120 PolarHBondContact O-N 3.38Å; V117-F120 PolarHBondContact O-N 3.2Å; F120-A123 PolarHBondContact O-N 3.38Å; F120-A124 WeakPolarHBondContact O-CB 3.33Å; F120-A124 PolarHBondContact O-N 2.88Å; F120-L151 WeakPolarHBondContact CE1-O 3.25Å; F120-W158 HydrophobicContact CB-CZ3 4.39Å
121L92.6Very high91.8Very high1 Ų119.5 Ų19.51%0.00510%0.098CC..Hα-helixtrans-65.3-40.9-178.9-71.1175.4000111.7W69 N72 L73 V117 S118 A124 I125W69-L121 HydrophobicContact CE3-CD2 3.78Å; W69-L121 HydrophobicContact CZ3-CD2 4.1Å; N72-L121 HydrophobicContact CB-CD1 3.87Å; N72-L121 HydrophobicContact CB-CD2 4.21Å; L73-L121 HydrophobicContact CB-CD1 3.9Å; L73-L121 HydrophobicContact CD1-CB 4.27Å; L73-L121 HydrophobicContact CD1-CD1 4.19Å; V117-L121 HydrophobicContact CG1-CD1 3.53Å; V117-L121 HydrophobicContact CG1-CG 4.08Å; V117-L121 WeakPolarHBondContact O-CB 3.24Å; V117-L121 VanDerWaalsContact O-CG 3.27Å; V117-L121 WeakPolarHBondContact O-CG 3.42Å; V117-L121 PolarHBondContact O-N 3.16Å; S118-L121 PolarHBondContact O-N 3.24Å; L121-A124 PolarHBondContact O-N 3.15Å; L121-I125 WeakPolarHBondContact O-CB 3.33Å; L121-I125 WeakPolarHBondContact O-CD1 3.09Å; L121-I125 WeakPolarHBondContact O-CG1 3.37Å; L121-I125 PolarHBondContact O-N 3.49Å
122L89.6Confident91.3Very high6 Ų622 Ų223%0.03111%0.112CC..Hα-helixtrans-60.8-45.8175.4-75.2168.2000111.4S118 I125 S126 I223 F256 Y305S118-L122 WeakPolarHBondContact O-CB 3.24Å; S118-L122 WeakPolarHBondContact O-CG 3.43Å; S118-L122 PolarHBondContact O-N 3.44Å; L122-I125 PolarHBondContact O-N 2.9Å; L122-S126 PolarHBondContact O-N 3.38Å; L122-S126 PolarHBondContact O-OG 3.12Å; L122-I223 HydrophobicContact CB-CD1 3.83Å; L122-F256 HydrophobicContact CD1-CD2 3.5Å; L122-F256 VanDerWaalsContact CD1-CD2 3.5Å; L122-F256 HydrophobicContact CD1-CE2 3.88Å; L122-Y305 WeakPolarHBondContact CD2-OH 3.44Å
123A92.6Very high90.6Very high12 Ų1223.7 Ų23.710%0.09912%0.122CC..Hα-helixtrans-61.5-43.9174.700000112.2A119 F120 S126 L127 P219 V222 I223A119-A123 WeakPolarHBondContact O-CB 3.21Å; A119-A123 PolarHBondContact O-N 2.89Å; A119-A123 VanDerWaalsContact O-N 3.09Å; F120-A123 PolarHBondContact O-N 3.38Å; A123-S126 PolarHBondContact O-N 3.4Å; A123-L127 WeakPolarHBondContact O-CG 3.2Å; A123-L127 PolarHBondContact O-N 3.02Å; A123-P219 HydrophobicContact CB-CB 4.49Å; A123-V222 HydrophobicContact CB-CB 4.19Å; A123-V222 HydrophobicContact CB-CG1 3.87Å; A123-I223 HydrophobicContact CB-CG1 4.47Å
124A91.9Very high90Very high17 Ų1724.3 Ų24.314%0.1413%0.13CC..Hα-helixtrans-63.9-41.3177.500000112.5W69 F120 L121 L127 D128W69-A124 HydrophobicContact CE3-CB 4.42Å; W69-A124 HydrophobicContact CH2-CB 4.03Å; W69-A124 HydrophobicContact CZ2-CB 4.49Å; W69-A124 HydrophobicContact CZ3-CB 4Å; F120-A124 WeakPolarHBondContact O-CB 3.33Å; F120-A124 PolarHBondContact O-N 2.88Å; L121-A124 PolarHBondContact O-N 3.15Å; A124-L127 PolarHBondContact O-N 3.49Å; A124-D128 WeakPolarHBondContact O-CB 3.16Å; A124-D128 PolarHBondContact O-N 3.26Å
125I86.7Confident89.5Confident11 Ų1130.3 Ų30.36%0.05616%0.157CC..Hα-helixtrans-61.8-44.6174.8-70.4162.8000110.4W69 L73 L121 L122 D128 R129 Y305W69-I125 HydrophobicContact CB-CD1 3.9Å; W69-I125 HydrophobicContact CB-CG1 3.55Å; W69-I125 HydrophobicContact CG-CG1 3.88Å; L73-I125 HydrophobicContact CD2-CD1 4.33Å; L121-I125 WeakPolarHBondContact O-CB 3.33Å; L121-I125 WeakPolarHBondContact O-CD1 3.09Å; L121-I125 WeakPolarHBondContact O-CG1 3.37Å; L121-I125 PolarHBondContact O-N 3.49Å; L122-I125 PolarHBondContact O-N 2.9Å; I125-D128 PolarHBondContact O-N 3.08Å; I125-R129 WeakPolarHBondContact O-CG 3.17Å; I125-R129 PolarHBondContact O-N 3.05Å; I125-Y305 HydrophobicContact CD1-CE1 4.46Å; I125-Y305 WeakPolarHBondContact CD1-OH 3.4Å
126S86.4Confident88.9Confident3 Ų333.8 Ų33.82%0.02118%0.179CC..Hα-helixtrans-62.1-42.3177.1-71.10000112.3L122 A123 R129 L130 Y227L122-S126 PolarHBondContact O-N 3.38Å; L122-S126 PolarHBondContact O-OG 3.12Å; A123-S126 PolarHBondContact O-N 3.4Å; S126-R129 PolarHBondContact O-N 2.64Å; S126-L130 PolarHBondContact O-N 3.49Å; S126-Y227 WeakPolarHBondContact OG-CE2 3.35Å
127L90.7Very high88.6Confident76 Ų7639.1 Ų39.140%0.39821%0.211SC..Hα-helixtrans-67.4-42.3175.4-73.6171.9000112.5A123 A124 R129 L130 L131 V222 S226A123-L127 WeakPolarHBondContact O-CG 3.2Å; A123-L127 PolarHBondContact O-N 3.02Å; A124-L127 PolarHBondContact O-N 3.49Å; L127-R129 VanDerWaalsContact C-N 3.29Å; L127-R129 PolarHBondContact O-N 2.98Å; L127-L130 HydrophobicContact CD2-CD2 4.46Å; L127-L130 WeakPolarHBondContact O-CB 3.26Å; L127-L130 PolarHBondContact O-N 3.23Å; L127-L130 VanDerWaalsContact O-N 3.13Å; L127-L131 WeakPolarHBondContact O-CG 3.37Å; L127-L131 PolarHBondContact O-N 3.41Å; L127-V222 HydrophobicContact CD1-CG1 3.69Å; L127-V222 HydrophobicContact CD2-CG1 3.99Å; L127-V222 HydrophobicContact CG-CG1 3.61Å; L127-S226 WeakPolarHBondContact CD2-OG 3.04Å
128D86.9Confident88.3Confident22 Ų2245 Ų4512%0.11823%0.233CC..Hα-helixtrans-58-44.1175.2-177.668.3000110.7A124 I125 L131 L132 R143A124-D128 WeakPolarHBondContact O-CB 3.16Å; A124-D128 PolarHBondContact O-N 3.26Å; I125-D128 PolarHBondContact O-N 3.08Å; D128-L131 PolarHBondContact O-N 3.39Å; D128-L132 WeakPolarHBondContact O-CG 3.17Å; D128-L132 PolarHBondContact O-N 3.35Å; D128-R143 WeakPolarHBondContact OD1-CD 3.36Å; D128-R143 IonicContact OD1-CZ 3.76Å; D128-R143 IonicContact OD1-NE 2.84Å; D128-R143 PolarHBondContact OD1-NE 3.27Å; D128-R143 IonicContact OD1-NH2 3.82Å; D128-R143 IonicContact OD2-CZ 3.4Å; D128-R143 IonicContact OD2-NE 3.27Å; D128-R143 PolarHBondContact OD2-NE 3.22Å; D128-R143 IonicContact OD2-NH2 2.76Å; D128-R143 PolarHBondContact OD2-NH2 3.4Å
129R83.1Confident87.8Confident58 Ų5845.1 Ų45.122%0.21924%0.235CC..Hα-helixtrans-63-41.9174.5-72.7-178.9-175.6-97.52.8112.2I125 S126 L127 L131 L132 V133 I230 C309I125-R129 WeakPolarHBondContact O-CG 3.17Å; I125-R129 PolarHBondContact O-N 3.05Å; S126-R129 PolarHBondContact O-N 2.64Å; L127-R129 VanDerWaalsContact C-N 3.29Å; L127-R129 PolarHBondContact O-N 2.98Å; R129-L131 VanDerWaalsContact C-N 3.34Å; R129-L131 PolarHBondContact O-N 2.79Å; R129-L132 PolarHBondContact O-N 3.03Å; R129-V133 WeakPolarHBondContact O-CG2 3.48Å; R129-V133 PolarHBondContact O-N 3.36Å; R129-V133 VanDerWaalsContact O-N 3.17Å; R129-I230 HydrophobicContact CB-CD1 4.07Å; R129-C309 PolarHBondContact NH2-SG 3.08Å
130L85.6Confident87.4Confident30 Ų3053.8 Ų53.816%0.15727%0.272CS..Hα-helixtrans-60.8-45.1175.8173.665.4000111.1S126 L127 L132 V133 S134 K229 I230S126-L130 PolarHBondContact O-N 3.49Å; L127-L130 HydrophobicContact CD2-CD2 4.46Å; L127-L130 WeakPolarHBondContact O-CB 3.26Å; L127-L130 PolarHBondContact O-N 3.23Å; L127-L130 VanDerWaalsContact O-N 3.13Å; L130-L132 PolarHBondContact O-N 3.41Å; L130-V133 PolarHBondContact O-N 2.81Å; L130-S134 VanDerWaalsContact O-CB 3.28Å; L130-S134 WeakPolarHBondContact O-CB 3.16Å; L130-S134 PolarHBondContact O-N 3.47Å; L130-S134 PolarHBondContact O-OG 3.42Å; L130-K229 HydrophobicContact CD1-CB 3.64Å; L130-I230 HydrophobicContact CB-CD1 4.15Å; L130-I230 HydrophobicContact CB-CG1 4.11Å; L130-I230 HydrophobicContact CD1-CG1 3.76Å
131L87.1Confident87Confident62 Ų6256.5 Ų56.533%0.32529%0.289SS..Hα-helixtrans-64.9-39.1-179.7-70.2168.4000111.9L127 D128 R129 V133 K135 W138L127-L131 WeakPolarHBondContact O-CG 3.37Å; L127-L131 PolarHBondContact O-N 3.41Å; D128-L131 PolarHBondContact O-N 3.39Å; R129-L131 VanDerWaalsContact C-N 3.34Å; R129-L131 PolarHBondContact O-N 2.79Å; L131-V133 VanDerWaalsContact C-N 3.34Å; L131-V133 PolarHBondContact O-N 2.87Å; L131-K135 CarbonylContact O-C 3.49Å; L131-K135 VanDerWaalsContact O-C 3.24Å; L131-K135 WeakPolarHBondContact O-CA 3.16Å; L131-K135 PolarHBondContact O-N 3.32Å; L131-W138 HydrophobicContact CD1-CH2 4.47Å; L131-W138 HydrophobicContact CD1-CZ3 3.93Å; L131-W138 HydrophobicContact CD2-CE3 4.47Å; L131-W138 HydrophobicContact CD2-CZ3 4.33Å
132L82.5Confident86.7Confident67 Ų6759.9 Ų59.935%0.35131%0.305SS..Hα-helixtrans-59.1-43.2174-76.9166.8000112.7D128 R129 L130 S139D128-L132 WeakPolarHBondContact O-CG 3.17Å; D128-L132 PolarHBondContact O-N 3.35Å; R129-L132 PolarHBondContact O-N 3.03Å; L130-L132 PolarHBondContact O-N 3.41Å; L132-S139 WeakPolarHBondContact CD2-OG 3.29Å
133V82Confident86.7Confident37 Ų3763.5 Ų63.522%0.22432%0.318CS..Hα-helixtrans-77.8-50.1-178.7175.90000111R129 L130 L131 I230 L234 R237R129-V133 WeakPolarHBondContact O-CG2 3.48Å; R129-V133 PolarHBondContact O-N 3.36Å; R129-V133 VanDerWaalsContact O-N 3.17Å; L130-V133 PolarHBondContact O-N 2.81Å; L131-V133 VanDerWaalsContact C-N 3.34Å; L131-V133 PolarHBondContact O-N 2.87Å; V133-I230 HydrophobicContact CB-CG1 4.5Å; V133-I230 HydrophobicContact CB-CG2 4.43Å; V133-I230 HydrophobicContact CG1-CG2 4.26Å; V133-I230 HydrophobicContact CG2-CG2 4.08Å; V133-L234 HydrophobicContact CG1-CD2 4Å; V133-L234 HydrophobicContact CG1-CG 4.15Å; V133-R237 PolarHBondContact O-NH2 3.21Å
134S84.3Confident86.7Confident43 Ų4365.2 Ų65.230%0.30133%0.329SS..Hα-helixtrans-80.3-30.4-170.463.80000114L130L130-S134 VanDerWaalsContact O-CB 3.28Å; L130-S134 WeakPolarHBondContact O-CB 3.16Å; L130-S134 PolarHBondContact O-N 3.47Å; L130-S134 PolarHBondContact O-OG 3.42Å
135K86.6Confident86.7Confident131 Ų13167 Ų6757%0.5734%0.339SS*.  trans-13764.3-174-60.8-66.3-177.1-179.40111.5L131 V137 W138 S139L131-K135 CarbonylContact O-C 3.49Å; L131-K135 VanDerWaalsContact O-C 3.24Å; L131-K135 WeakPolarHBondContact O-CA 3.16Å; L131-K135 PolarHBondContact O-N 3.32Å; K135-V137 PolarHBondContact O-N 3.2Å; K135-W138 HydrophobicContact CB-CB 4.1Å; K135-W138 PolarHBondContact O-N 2.92Å; K135-S139 WeakPolarHBondContact O-CB 3.38Å; K135-S139 PolarHBondContact O-N 2.8Å
136P83.3Confident87Confident72 Ų7269.4 Ų69.447%0.46836%0.36SS..Hα-helixtrans-62.4-39.5-172.924-34.3000113.9S139 K140P136-S139 PolarHBondContact O-N 3.02Å; P136-K140 PolarHBondContact O-N 3.29Å
137V89.1Confident87.4Confident112 Ų11275.2 Ų75.268%0.67938%0.381SS*.Hα-helixtrans-65.1-44.8178.4-179.90000111.1K135 K140 N141K135-V137 PolarHBondContact O-N 3.2Å; V137-K140 PolarHBondContact O-N 3.12Å; V137-N141 PolarHBondContact O-N 3.12Å
138W90.6Very high87.5Confident123 Ų12371.7 Ų71.747%0.46636%0.363SS..Hα-helixtrans-63.1-45.1176.2-176.290.7000110.9L131 K135 K140 N141 H142L131-W138 HydrophobicContact CD1-CH2 4.47Å; L131-W138 HydrophobicContact CD1-CZ3 3.93Å; L131-W138 HydrophobicContact CD2-CE3 4.47Å; L131-W138 HydrophobicContact CD2-CZ3 4.33Å; K135-W138 HydrophobicContact CB-CB 4.1Å; K135-W138 PolarHBondContact O-N 2.92Å; W138-K140 PolarHBondContact O-N 3.31Å; W138-N141 PolarHBondContact O-N 3.24Å; W138-N141 VanDerWaalsContact O-N 3.13Å; W138-H142 AromaticContact CD1-CE1 3.87Å; W138-H142 AromaticContact CD1-ND1 3.58Å; W138-H142 HydrophobicContact CD2-CB 3.94Å; W138-H142 AromaticContact CE2-CG 3.64Å; W138-H142 AromaticContact CE2-ND1 3.95Å; W138-H142 HydrophobicContact CE3-CB 4.18Å; W138-H142 AromaticContact CG-ND1 3.97Å; W138-H142 HydrophobicContact CH2-CB 3.94Å; W138-H142 HydrophobicContact CZ2-CB 3.68Å; W138-H142 AromaticContact CZ2-CG 3.97Å; W138-H142 HydrophobicContact CZ3-CB 4.16Å; W138-H142 AromaticContact NE1-CD2 3.84Å; W138-H142 AromaticContact NE1-CE1 3.81Å; W138-H142 AromaticContact NE1-CG 3.59Å; W138-H142 AromaticContact NE1-ND1 3.56Å; W138-H142 AromaticContact NE1-NE2 3.99Å; W138-H142 WeakPolarHBondContact O-CB 3.29Å; W138-H142 PolarHBondContact O-N 3.24Å; W138-H142 PolarHBondContact O-ND1 3.23Å
139S84.4Confident87.9Confident4 Ų475.9 Ų75.93%0.02838%0.377CS..Hα-helixtrans-58.2-46.2178.1-167.90000111.3L132 K135 P136 N141 H142 R143L132-S139 WeakPolarHBondContact CD2-OG 3.29Å; K135-S139 WeakPolarHBondContact O-CB 3.38Å; K135-S139 PolarHBondContact O-N 2.8Å; P136-S139 PolarHBondContact O-N 3.02Å; S139-N141 PolarHBondContact O-N 2.91Å; S139-H142 PolarHBondContact O-N 2.92Å; S139-R143 WeakPolarHBondContact O-CA 3.24Å; S139-R143 WeakPolarHBondContact O-CB 3.5Å; S139-R143 PolarHBondContact O-N 3.35Å; S139-R143 VanDerWaalsContact OG-CD 3.31Å; S139-R143 WeakPolarHBondContact OG-CD 3.17Å
140K83.3Confident88.6Confident182 Ų18280.1 Ų80.179%0.79140%0.398SS*.Hα-helixtrans-57.2-37.3176.9-169.4179.1178.9-176.10112.9P136 V137 W138P136-K140 PolarHBondContact O-N 3.29Å; V137-K140 PolarHBondContact O-N 3.12Å; W138-K140 PolarHBondContact O-N 3.31Å
141N87.8Confident89.1Confident118 Ų11882.5 Ų82.563%0.63141%0.41SS*.Hα-helixtrans-88.6-27-175.9-704.1000113.9V137 W138 S139V137-N141 PolarHBondContact O-N 3.12Å; W138-N141 PolarHBondContact O-N 3.24Å; W138-N141 VanDerWaalsContact O-N 3.13Å; S139-N141 PolarHBondContact O-N 2.91Å
142H87.3Confident89.6Confident71 Ų7179.6 Ų79.633%0.32940%0.395SS..Hα-helixtrans-116.1-16.9-169.9-69.779.5000114.2W138 S139 S144 R147W138-H142 AromaticContact CD1-CE1 3.87Å; W138-H142 AromaticContact CD1-ND1 3.58Å; W138-H142 HydrophobicContact CD2-CB 3.94Å; W138-H142 AromaticContact CE2-CG 3.64Å; W138-H142 AromaticContact CE2-ND1 3.95Å; W138-H142 HydrophobicContact CE3-CB 4.18Å; W138-H142 AromaticContact CG-ND1 3.97Å; W138-H142 HydrophobicContact CH2-CB 3.94Å; W138-H142 HydrophobicContact CZ2-CB 3.68Å; W138-H142 AromaticContact CZ2-CG 3.97Å; W138-H142 HydrophobicContact CZ3-CB 4.16Å; W138-H142 AromaticContact NE1-CD2 3.84Å; W138-H142 AromaticContact NE1-CE1 3.81Å; W138-H142 AromaticContact NE1-CG 3.59Å; W138-H142 AromaticContact NE1-ND1 3.56Å; W138-H142 AromaticContact NE1-NE2 3.99Å; W138-H142 WeakPolarHBondContact O-CB 3.29Å; W138-H142 PolarHBondContact O-N 3.24Å; W138-H142 PolarHBondContact O-ND1 3.23Å; S139-H142 PolarHBondContact O-N 2.92Å; H142-S144 PolarHBondContact O-N 3.33Å; H142-R147 VanDerWaalsContact CB-NH1 3.27Å; H142-R147 PolarHBondContact CD2-NH1 3.16Å; H142-R147 WeakPolarHBondContact O-CD 3.45Å; H142-R147 PolarHBondContact O-NH1 3.03Å
143R88.1Confident90.3Very high83 Ų8379.4 Ų79.431%0.31340%0.403SS..  trans-80.4109.7179.8-173.3172-179.2-119.63.9109.7V65 D128 S139V65-R143 HydrophobicContact CB-CG 4.22Å; V65-R143 HydrophobicContact CG1-CG 4.21Å; V65-R143 HydrophobicContact CG2-CG 3.84Å; D128-R143 WeakPolarHBondContact OD1-CD 3.36Å; D128-R143 IonicContact OD1-CZ 3.76Å; D128-R143 IonicContact OD1-NE 2.84Å; D128-R143 PolarHBondContact OD1-NE 3.27Å; D128-R143 IonicContact OD1-NH2 3.82Å; D128-R143 IonicContact OD2-CZ 3.4Å; D128-R143 IonicContact OD2-NE 3.27Å; D128-R143 PolarHBondContact OD2-NE 3.22Å; D128-R143 IonicContact OD2-NH2 2.76Å; D128-R143 PolarHBondContact OD2-NH2 3.4Å; S139-R143 WeakPolarHBondContact O-CA 3.24Å; S139-R143 WeakPolarHBondContact O-CB 3.5Å; S139-R143 PolarHBondContact O-N 3.35Å; S139-R143 VanDerWaalsContact OG-CD 3.31Å; S139-R143 WeakPolarHBondContact OG-CD 3.17Å
144S93.1Very high91.1Very high47 Ų4782.7 Ų82.733%0.32942%0.419SS..  trans-134.6151.4-179.874.40000112.9V65 H142 A146 R147 A148V65-S144 VanDerWaalsContact CG2-C 3.48Å; V65-S144 WeakPolarHBondContact CG2-O 3.27Å; H142-S144 PolarHBondContact O-N 3.33Å; S144-A146 VanDerWaalsContact C-N 3.29Å; S144-A146 PolarHBondContact O-N 3.05Å; S144-R147 PolarHBondContact O-N 3.48Å; S144-R147 WeakPolarHBondContact OG-CG 3.31Å; S144-R147 PolarHBondContact OG-N 3.29Å; S144-A148 PolarHBondContact O-N 2.79Å; S144-A148 VanDerWaalsContact O-N 3.14Å
145V91.2Very high91.7Very high56 Ų5680.7 Ų80.734%0.33941%0.405SS..Hα-helixtrans-55.2-44.4176.1165.30000111.1R63 I68 R147 A148 W149R63-V145 VanDerWaalsContact O-CG2 3.29Å; R63-V145 WeakPolarHBondContact O-CG2 3.31Å; I68-V145 HydrophobicContact CD1-CB 3.88Å; I68-V145 HydrophobicContact CD1-CG1 3.53Å; I68-V145 HydrophobicContact CD1-CG2 4.1Å; I68-V145 WeakPolarHBondContact CD1-O 3.46Å; V145-R147 VanDerWaalsContact C-N 3.34Å; V145-R147 PolarHBondContact O-N 2.93Å; V145-A148 PolarHBondContact O-N 3.28Å; V145-W149 PolarHBondContact O-N 2.7Å
146A94.6Very high92.3Very high61 Ų6177.1 Ų77.150%0.50439%0.388SS..Hα-helixtrans-62.3-39.4-179.700000112.6S144 K150S144-A146 VanDerWaalsContact C-N 3.29Å; S144-A146 PolarHBondContact O-N 3.05Å; A146-K150 WeakPolarHBondContact O-CG 3.48Å; A146-K150 PolarHBondContact O-N 3.3Å; A146-K150 VanDerWaalsContact O-N 3.1Å
147R94.1Very high93Very high124 Ų12478.6 Ų78.647%0.46839%0.391SS..Hα-helixtrans-68.9-39.1177-72.1176.3-176.2-177.8-2111.8H142 S144 V145 K150 L151H142-R147 VanDerWaalsContact CB-NH1 3.27Å; H142-R147 PolarHBondContact CD2-NH1 3.16Å; H142-R147 WeakPolarHBondContact O-CD 3.45Å; H142-R147 PolarHBondContact O-NH1 3.03Å; S144-R147 PolarHBondContact O-N 3.48Å; S144-R147 WeakPolarHBondContact OG-CG 3.31Å; S144-R147 PolarHBondContact OG-N 3.29Å; V145-R147 VanDerWaalsContact C-N 3.34Å; V145-R147 PolarHBondContact O-N 2.93Å; R147-K150 PolarHBondContact O-N 2.99Å; R147-L151 WeakPolarHBondContact O-CG 3.32Å; R147-L151 PolarHBondContact O-N 2.98Å
148A92.6Very high93.4Very high2 Ų277.1 Ų77.12%0.01737%0.374CS..Hα-helixtrans-61.5-43.8175.900000111.9V65 I68 W69 S144 V145 L151 C152V65-A148 HydrophobicContact CB-CB 4.46Å; V65-A148 HydrophobicContact CG1-CB 3.98Å; V65-A148 HydrophobicContact CG2-CB 4.24Å; I68-A148 HydrophobicContact CB-CB 4.3Å; I68-A148 HydrophobicContact CD1-CB 3.85Å; I68-A148 HydrophobicContact CG2-CB 4.14Å; W69-A148 HydrophobicContact CZ2-CB 4.14Å; S144-A148 PolarHBondContact O-N 2.79Å; S144-A148 VanDerWaalsContact O-N 3.14Å; V145-A148 PolarHBondContact O-N 3.28Å; A148-L151 PolarHBondContact O-N 3.07Å; A148-C152 PolarHBondContact O-N 2.89Å; A148-C152 PolarHBondContact O-SG 3.13Å
149W96.3Very high93.7Very high110 Ų11071.3 Ų71.342%0.41735%0.351SS..Hα-helixtrans-61.1-44173.6-86.5116.9000112.9I68 L71 V145 L151 C152 A153I68-W149 HydrophobicContact CG2-CD2 3.91Å; I68-W149 HydrophobicContact CG2-CE3 4.31Å; I68-W149 HydrophobicContact CG2-CG 4.16Å; I68-W149 HydrophobicContact CG2-CZ2 4.45Å; L71-W149 HydrophobicContact CD2-CH2 4.09Å; L71-W149 HydrophobicContact CD2-CZ2 4.26Å; V145-W149 PolarHBondContact O-N 2.7Å; W149-L151 PolarHBondContact O-N 3.13Å; W149-C152 PolarHBondContact O-N 3.09Å; W149-A153 WeakPolarHBondContact O-CB 3.23Å; W149-A153 PolarHBondContact O-N 3.22Å
150K97Very high94.3Very high148 Ų14873.1 Ų73.164%0.64337%0.367SS*.Hα-helixtrans-59.1-45.9175.5-73.4177.5179.9-171.50111.7A146 R147 A153 L154A146-K150 WeakPolarHBondContact O-CG 3.48Å; A146-K150 PolarHBondContact O-N 3.3Å; A146-K150 VanDerWaalsContact O-N 3.1Å; R147-K150 PolarHBondContact O-N 2.99Å; K150-A153 PolarHBondContact O-N 3.48Å; K150-L154 WeakPolarHBondContact O-CG 3.28Å; K150-L154 PolarHBondContact O-N 3.39Å
151L96.8Very high95Very high80 Ų8069.3 Ų69.342%0.41936%0.355SS..Hα-helixtrans-65.2-38.5177.7-71.8174.1000112.3W69 F120 R147 A148 W149 L154 G155W69-L151 HydrophobicContact CH2-CB 3.62Å; W69-L151 HydrophobicContact CH2-CD1 3.81Å; W69-L151 HydrophobicContact CH2-CG 4.38Å; W69-L151 HydrophobicContact CZ2-CD1 4.23Å; W69-L151 HydrophobicContact CZ3-CB 4.17Å; F120-L151 WeakPolarHBondContact CE1-O 3.25Å; R147-L151 WeakPolarHBondContact O-CG 3.32Å; R147-L151 PolarHBondContact O-N 2.98Å; A148-L151 PolarHBondContact O-N 3.07Å; W149-L151 PolarHBondContact O-N 3.13Å; L151-L154 PolarHBondContact O-N 2.66Å; L151-G155 PolarHBondContact O-N 2.85Å
152C97.1Very high95.4Very high0 Ų065.3 Ų65.30%033%0.333CS..Hα-helixtrans-61.4-50.6172.5-670000110.6W69 N72 A148 W149 L154 G155 W156W69-C152 WeakPolarHBondContact CZ3-SG 3.31Å; N72-C152 HydrophobicContact CB-CB 4.44Å; N72-C152 PolarHBondContact ND2-SG 2.92Å; A148-C152 PolarHBondContact O-N 2.89Å; A148-C152 PolarHBondContact O-SG 3.13Å; W149-C152 PolarHBondContact O-N 3.09Å; C152-L154 VanDerWaalsContact C-N 3.27Å; C152-L154 PolarHBondContact O-N 3.36Å; C152-G155 CarbonylContact O-C 3.24Å; C152-G155 WeakPolarHBondContact O-CA 3.46Å; C152-G155 PolarHBondContact O-N 3.23Å; C152-W156 PolarHBondContact O-N 3.02Å
153A97.9Very high95.8Very high63 Ų6362.3 Ų62.352%0.52132%0.32SS..Hα-helixtrans-57-40.8178.700000112.4W149 K150 W156 L157W149-A153 WeakPolarHBondContact O-CB 3.23Å; W149-A153 PolarHBondContact O-N 3.22Å; K150-A153 PolarHBondContact O-N 3.48Å; A153-W156 PolarHBondContact O-N 3.28Å; A153-L157 WeakPolarHBondContact O-CB 3.39Å; A153-L157 PolarHBondContact O-N 3.38Å
154L97.6Very high96.1Very high107 Ų10762.6 Ų62.656%0.5633%0.327SS*.Hα-helixtrans-63.9-42.7173.5-70.7173.7000112.3K150 L151 C152 L157 W158K150-L154 WeakPolarHBondContact O-CG 3.28Å; K150-L154 PolarHBondContact O-N 3.39Å; L151-L154 PolarHBondContact O-N 2.66Å; C152-L154 VanDerWaalsContact C-N 3.27Å; C152-L154 PolarHBondContact O-N 3.36Å; L154-L157 PolarHBondContact O-N 3.33Å; L154-W158 VanDerWaalsContact O-CB 3.27Å; L154-W158 WeakPolarHBondContact O-CB 3.18Å; L154-W158 PolarHBondContact O-N 2.97Å
155G97.4Very high96Very high1 Ų162.7 Ų62.71%0.0133%0.327CS..Hα-helixtrans-62-41.6175.800000112.9L151 C152 W158 A159L151-G155 PolarHBondContact O-N 2.85Å; C152-G155 CarbonylContact O-C 3.24Å; C152-G155 WeakPolarHBondContact O-CA 3.46Å; C152-G155 PolarHBondContact O-N 3.23Å; G155-W158 PolarHBondContact O-N 2.92Å; G155-A159 VanDerWaalsContact O-CB 3.31Å; G155-A159 WeakPolarHBondContact O-CB 3.05Å; G155-A159 PolarHBondContact O-N 3.33Å
156W98.3Very high96Very high55 Ų5560.2 Ų60.221%0.20831%0.311CS..Hα-helixtrans-64.7-45.4175.5-80.664000111.7N72 M75 L79 F113 C152 A153 A159 A160N72-W156 PolarHBondContact OD1-NE1 2.94Å; M75-W156 HydrophobicContact CB-CH2 4.26Å; M75-W156 HydrophobicContact CB-CZ2 4.04Å; M75-W156 HydrophobicContact CE-CH2 4.23Å; M75-W156 HydrophobicContact CE-CZ2 4.29Å; L79-W156 HydrophobicContact CD1-CH2 3.94Å; L79-W156 HydrophobicContact CD1-CZ3 4.15Å; F113-W156 HydrophobicContact CE1-CD2 4.25Å; F113-W156 AromaticContact CE1-CE3 3.58Å; F113-W156 HydrophobicContact CE1-CE3 3.58Å; F113-W156 HydrophobicContact CE1-CH2 4.07Å; F113-W156 AromaticContact CE1-CZ3 3.46Å; F113-W156 HydrophobicContact CE1-CZ3 3.46Å; F113-W156 VanDerWaalsContact CE1-CZ3 3.46Å; F113-W156 WeakPolarHBondContact CE2-O 3.36Å; F113-W156 HydrophobicContact CZ-CB 4.44Å; F113-W156 AromaticContact CZ-CD2 3.9Å; F113-W156 HydrophobicContact CZ-CD2 3.9Å; F113-W156 AromaticContact CZ-CE3 3.33Å; F113-W156 HydrophobicContact CZ-CE3 3.33Å; F113-W156 HydrophobicContact CZ-CG 4.41Å; F113-W156 AromaticContact CZ-CZ3 3.74Å; F113-W156 HydrophobicContact CZ-CZ3 3.74Å; C152-W156 PolarHBondContact O-N 3.02Å; A153-W156 PolarHBondContact O-N 3.28Å; W156-A159 PolarHBondContact O-N 3.28Å; W156-A160 WeakPolarHBondContact O-CB 3.46Å; W156-A160 PolarHBondContact O-N 3.04Å
157L98.1Very high95.9Very high104 Ų10458.2 Ų58.255%0.54529%0.294SS..Hα-helixtrans-62.1-45.9176179.161.7000111.4A153 L154 A159 A160 L161A153-L157 WeakPolarHBondContact O-CB 3.39Å; A153-L157 PolarHBondContact O-N 3.38Å; L154-L157 PolarHBondContact O-N 3.33Å; L157-A159 VanDerWaalsContact C-N 3.34Å; L157-A159 PolarHBondContact O-N 3.43Å; L157-A160 PolarHBondContact O-N 2.93Å; L157-L161 HydrophobicContact CG-CD1 4.4Å; L157-L161 WeakPolarHBondContact O-CG 3.33Å; L157-L161 PolarHBondContact O-N 3.2Å
158W97.5Very high95.8Very high81 Ų8156.2 Ų56.231%0.30729%0.291SS..Hα-helixtrans-59.7-44.8176.6175.983.7000111.7F116 F120 L154 G155 A160 L161 N162 L214F116-W158 HydrophobicContact CB-CE3 4.36Å; F116-W158 HydrophobicContact CB-CH2 4.49Å; F116-W158 HydrophobicContact CB-CZ3 3.78Å; F116-W158 AromaticContact CD1-CH2 3.67Å; F116-W158 HydrophobicContact CD1-CH2 3.67Å; F116-W158 AromaticContact CD1-CZ3 3.82Å; F116-W158 HydrophobicContact CD1-CZ3 3.82Å; F116-W158 HydrophobicContact CE1-CH2 4.4Å; F116-W158 HydrophobicContact CG-CH2 4.47Å; F116-W158 HydrophobicContact CG-CZ3 4.2Å; F120-W158 HydrophobicContact CB-CZ3 4.39Å; L154-W158 VanDerWaalsContact O-CB 3.27Å; L154-W158 WeakPolarHBondContact O-CB 3.18Å; L154-W158 PolarHBondContact O-N 2.97Å; G155-W158 PolarHBondContact O-N 2.92Å; W158-A160 PolarHBondContact O-N 3.44Å; W158-L161 PolarHBondContact O-N 3.32Å; W158-N162 PolarHBondContact NE1-ND2 3.44Å; W158-N162 PolarHBondContact O-N 3.23Å; W158-N162 PolarHBondContact O-ND2 3.4Å; W158-L214 HydrophobicContact CH2-CB 4.08Å; W158-L214 HydrophobicContact CZ2-CB 3.95Å; W158-L214 HydrophobicContact CZ2-CD1 4.31Å; W158-L214 HydrophobicContact CZ2-CD2 4.33Å; W158-L214 HydrophobicContact CZ2-CG 4.42Å
159A97.8Very high95.8Very high0 Ų057.7 Ų57.70%030%0.297CS..Hα-helixtrans-63.4-40.4176.500000112.2F113 F116 V117 G155 W156 L157 N162 T163F113-A159 HydrophobicContact CD2-CB 3.9Å; F113-A159 HydrophobicContact CE2-CB 3.73Å; F113-A159 HydrophobicContact CZ-CB 4.47Å; F116-A159 HydrophobicContact CB-CB 3.56Å; V117-A159 HydrophobicContact CB-CB 4.38Å; V117-A159 HydrophobicContact CG2-CB 3.31Å; G155-A159 VanDerWaalsContact O-CB 3.31Å; G155-A159 WeakPolarHBondContact O-CB 3.05Å; G155-A159 PolarHBondContact O-N 3.33Å; W156-A159 PolarHBondContact O-N 3.28Å; L157-A159 VanDerWaalsContact C-N 3.34Å; L157-A159 PolarHBondContact O-N 3.43Å; A159-N162 PolarHBondContact O-N 3.46Å; A159-T163 WeakPolarHBondContact O-CB 3.24Å; A159-T163 PolarHBondContact O-N 3.33Å; A159-T163 PolarHBondContact O-OG1 3.49Å
160A97.3Very high95.6Very high42 Ų4253.7 Ų53.735%0.34728%0.282SS..Hα-helixtrans-60.6-48.2176.900000110.8F113 W156 L157 W158 N162 T163 L164F113-A160 HydrophobicContact CD2-CB 4.45Å; F113-A160 HydrophobicContact CE2-CB 3.96Å; W156-A160 WeakPolarHBondContact O-CB 3.46Å; W156-A160 PolarHBondContact O-N 3.04Å; L157-A160 PolarHBondContact O-N 2.93Å; W158-A160 PolarHBondContact O-N 3.44Å; A160-N162 PolarHBondContact O-N 3.42Å; A160-T163 PolarHBondContact O-N 2.9Å; A160-T163 VanDerWaalsContact O-N 3.1Å; A160-L164 PolarHBondContact O-N 2.89Å
161L96.6Very high95.5Very high103 Ų10347.7 Ų47.754%0.53926%0.259SS..Hα-helixtrans-58.7-45.1177.2-68.9172.5000112.1L157 W158 T163 L164L157-L161 HydrophobicContact CG-CD1 4.4Å; L157-L161 WeakPolarHBondContact O-CG 3.33Å; L157-L161 PolarHBondContact O-N 3.2Å; W158-L161 PolarHBondContact O-N 3.32Å; L161-T163 VanDerWaalsContact C-N 3.26Å; L161-T163 PolarHBondContact O-N 3.11Å; L161-L164 HydrophobicContact CD2-CD1 4.26Å; L161-L164 PolarHBondContact O-N 3.42Å
162N96.1Very high95.4Very high34 Ų3445.7 Ų45.718%0.18225%0.25CS..Hα-helixtrans-69.3-24.5178.2-76.2-84.7000112.7F116 W158 A159 A160 P165 Y166 L214F116-N162 HydrophobicContact CD1-CB 4.17Å; F116-N162 HydrophobicContact CD2-CB 3.81Å; F116-N162 HydrophobicContact CE1-CB 3.99Å; F116-N162 HydrophobicContact CE2-CB 3.64Å; F116-N162 HydrophobicContact CG-CB 4.1Å; F116-N162 HydrophobicContact CZ-CB 3.73Å; W158-N162 PolarHBondContact NE1-ND2 3.44Å; W158-N162 PolarHBondContact O-N 3.23Å; W158-N162 PolarHBondContact O-ND2 3.4Å; A159-N162 PolarHBondContact O-N 3.46Å; A160-N162 PolarHBondContact O-N 3.42Å; N162-P165 WeakPolarHBondContact O-CD 3.21Å; N162-Y166 WeakPolarHBondContact O-CD2 3.13Å; N162-Y166 WeakPolarHBondContact O-CE2 3.33Å; N162-L214 VanDerWaalsContact OD1-CD1 3.29Å; N162-L214 WeakPolarHBondContact OD1-CD1 3.49Å
163T96.5Very high95.1Very high7 Ų745.9 Ų45.94%0.04325%0.251CS..Hα-helixtrans-77.6-22179.6-59.70000112.7S109 F112 F113 A159 A160 L161 Y166 S167S109-T163 VanDerWaalsContact O-CG2 3.26Å; S109-T163 WeakPolarHBondContact O-CG2 3.43Å; F112-T163 HydrophobicContact CB-CG2 4.14Å; F113-T163 WeakPolarHBondContact CA-OG1 3.48Å; F113-T163 HydrophobicContact CB-CG2 4.24Å; F113-T163 PolarHBondContact N-OG1 3.1Å; A159-T163 WeakPolarHBondContact O-CB 3.24Å; A159-T163 PolarHBondContact O-N 3.33Å; A159-T163 PolarHBondContact O-OG1 3.49Å; A160-T163 PolarHBondContact O-N 2.9Å; A160-T163 VanDerWaalsContact O-N 3.1Å; L161-T163 VanDerWaalsContact C-N 3.26Å; L161-T163 PolarHBondContact O-N 3.11Å; T163-Y166 PolarHBondContact O-N 3.18Å; T163-S167 PolarHBondContact O-N 3.12Å; T163-S167 PolarHBondContact O-OG 3.37Å
164L93.9Very high94.8Very high90 Ų9048.8 Ų48.847%0.47125%0.254SS..Hα-helixtrans-54.7-49.5-175-69.7171000114.1A160 L161 Y166 S167 I168A160-L164 PolarHBondContact O-N 2.89Å; L161-L164 HydrophobicContact CD2-CD1 4.26Å; L161-L164 PolarHBondContact O-N 3.42Å; L164-Y166 VanDerWaalsContact C-N 3.27Å; L164-Y166 PolarHBondContact O-N 2.98Å; L164-S167 WeakPolarHBondContact O-CB 3.48Å; L164-S167 PolarHBondContact O-N 3.28Å; L164-I168 HydrophobicContact CB-CD1 4.36Å; L164-I168 WeakPolarHBondContact O-CG1 3.32Å; L164-I168 PolarHBondContact O-N 3.02Å
165P91.1Very high94.4Very high49 Ų4945 Ų4532%0.31823%0.233SC..Hα-helixtrans-60.2-38.2-178.2-22.835.1000112.5N162 S167 F169 T207N162-P165 WeakPolarHBondContact O-CD 3.21Å; P165-S167 PolarHBondContact O-N 3.29Å; P165-F169 HydrophobicContact CB-CD2 4.5Å; P165-F169 WeakPolarHBondContact O-CD2 3.28Å; P165-F169 PolarHBondContact O-N 3.32Å; P165-F169 VanDerWaalsContact O-N 3.12Å; P165-T207 HydrophobicContact CB-CG2 4.37Å
166Y90.8Very high94Very high3 Ų347.8 Ų47.81%0.01226%0.255CS..Hα-helixtrans-68-26.5178.8-54.3-82.2000112.9F112 F116 N162 T163 L164 H184 T207 S210 K211F112-Y166 HydrophobicContact CB-CD2 4.45Å; F112-Y166 HydrophobicContact CB-CG 4.49Å; F112-Y166 HydrophobicContact CD1-CD1 4.27Å; F112-Y166 HydrophobicContact CD1-CG 4.36Å; F112-Y166 HydrophobicContact CD2-CD1 4.04Å; F112-Y166 HydrophobicContact CD2-CD2 4.48Å; F112-Y166 AromaticContact CD2-CG 3.72Å; F112-Y166 HydrophobicContact CD2-CG 3.72Å; F112-Y166 HydrophobicContact CE1-CD1 4.05Å; F112-Y166 HydrophobicContact CE1-CE1 4.33Å; F112-Y166 AromaticContact CE2-CD1 3.8Å; F112-Y166 HydrophobicContact CE2-CD1 3.8Å; F112-Y166 AromaticContact CE2-CG 3.93Å; F112-Y166 HydrophobicContact CE2-CG 3.93Å; F112-Y166 HydrophobicContact CG-CD1 4.27Å; F112-Y166 HydrophobicContact CG-CD2 4.33Å; F112-Y166 AromaticContact CG-CG 3.95Å; F112-Y166 HydrophobicContact CG-CG 3.95Å; F112-Y166 AromaticContact CZ-CD1 3.81Å; F112-Y166 HydrophobicContact CZ-CD1 3.81Å; F112-Y166 HydrophobicContact CZ-CE1 4.45Å; F112-Y166 HydrophobicContact CZ-CG 4.35Å; F116-Y166 HydrophobicContact CE2-CD2 4.38Å; F116-Y166 AromaticContact CE2-CE2 3.85Å; F116-Y166 HydrophobicContact CE2-CE2 3.85Å; F116-Y166 AromaticContact CZ-CE2 4Å; F116-Y166 HydrophobicContact CZ-CE2 4Å; N162-Y166 WeakPolarHBondContact O-CD2 3.13Å; N162-Y166 WeakPolarHBondContact O-CE2 3.33Å; T163-Y166 PolarHBondContact O-N 3.18Å; L164-Y166 VanDerWaalsContact C-N 3.27Å; L164-Y166 PolarHBondContact O-N 2.98Å; Y166-H184 AromaticContact CD1-NE2 3.99Å; Y166-T207 HydrophobicContact CE1-CG2 4.11Å; Y166-T207 PolarHBondContact OH-O 2.8Å; Y166-S210 PolarHBondContact OH-OG 3.34Å; Y166-K211 HydrophobicContact CE1-CD 4.03Å; Y166-K211 WeakPolarHBondContact OH-CB 3.47Å
167S92.8Very high93.4Very high20 Ų2047.6 Ų47.614%0.1426%0.258CS..Hα-helixtrans-84.3-44.8179.5-470000110.9S109 T163 L164 P165 R170S109-S167 WeakPolarHBondContact OG-CB 3.28Å; S109-S167 PolarHBondContact OG-OG 3.23Å; T163-S167 PolarHBondContact O-N 3.12Å; T163-S167 PolarHBondContact O-OG 3.37Å; L164-S167 WeakPolarHBondContact O-CB 3.48Å; L164-S167 PolarHBondContact O-N 3.28Å; P165-S167 PolarHBondContact O-N 3.29Å; S167-R170 WeakPolarHBondContact O-CB 3.15Å; S167-R170 PolarHBondContact O-N 3.43Å
168I92.6Very high92.9Very high81 Ų8146.8 Ų46.842%0.41526%0.261SS..Hα-helixtrans-64.8-45.5-178-68.9167000110.9L164 R170 Y189L164-I168 HydrophobicContact CB-CD1 4.36Å; L164-I168 WeakPolarHBondContact O-CG1 3.32Å; L164-I168 PolarHBondContact O-N 3.02Å; I168-R170 PolarHBondContact O-N 2.94Å; I168-Y189 HydrophobicContact CG2-CD2 3.89Å; I168-Y189 HydrophobicContact CG2-CE2 3.53Å; I168-Y189 WeakPolarHBondContact O-CE2 3.38Å
169F91.9Very high92.5Very high33 Ų3345.2 Ų45.215%0.14526%0.256CS..THydrogen-bonded Turntrans-81.110.8179.6-65-62.7000113.3P165 H184 N185 F186 Y189P165-F169 HydrophobicContact CB-CD2 4.5Å; P165-F169 WeakPolarHBondContact O-CD2 3.28Å; P165-F169 PolarHBondContact O-N 3.32Å; P165-F169 VanDerWaalsContact O-N 3.12Å; F169-H184 CarbonylContact O-C 3.6Å; F169-H184 WeakPolarHBondContact O-CA 3.16Å; F169-N185 PolarHBondContact O-N 3.41Å; F169-F186 HydrophobicContact CB-CD1 3.86Å; F169-F186 HydrophobicContact CB-CE1 4.04Å; F169-F186 HydrophobicContact CD1-CD1 4.24Å; F169-F186 AromaticContact CD2-CD1 3.83Å; F169-F186 HydrophobicContact CD2-CD1 3.83Å; F169-F186 AromaticContact CD2-CE1 3.98Å; F169-F186 HydrophobicContact CD2-CE1 3.98Å; F169-F186 HydrophobicContact CE2-CD1 4.47Å; F169-F186 AromaticContact CG-CD1 3.72Å; F169-F186 HydrophobicContact CG-CD1 3.72Å; F169-F186 HydrophobicContact CG-CE1 4.15Å; F169-Y189 HydrophobicContact CD1-CD2 4.23Å; F169-Y189 HydrophobicContact CE1-CD2 4.1Å
170R93.5Very high92.2Very high26 Ų2648.7 Ų48.710%0.09827%0.271CS..EExtended strand (participates in β ladder)trans-86.9134.6-179.6-155.667173.2173.80.6111.2Y101 I105 T108 S167 I168 C182 Y183 H184Y101-R170 WeakPolarHBondContact CE2-O 3.11Å; I105-R170 HydrophobicContact CG1-CB 4.29Å; T108-R170 HydrophobicContact CG2-CG 4.39Å; T108-R170 PolarHBondContact OG1-NE 2.89Å; T108-R170 PolarHBondContact OG1-NH2 2.88Å; S167-R170 WeakPolarHBondContact O-CB 3.15Å; S167-R170 PolarHBondContact O-N 3.43Å; I168-R170 PolarHBondContact O-N 2.94Å; R170-C182 PolarHBondContact NE-SG 3.47Å; R170-C182 PolarHBondContact NH2-O 3.1Å; R170-Y183 WeakPolarHBondContact CD-O 3.05Å; R170-H184 PolarHBondContact NH1-CE1 2.97Å; R170-H184 PolarHBondContact NH1-ND1 3.49Å
171S93.4Very high91.9Very high23 Ų2347.9 Ų47.916%0.16126%0.26CS..EExtended strand (participates in β ladder)trans-144.7164.1174.5-171.10000112.7C182 Y183S171-C182 WeakPolarHBondContact O-CA 3.46Å; S171-Y183 PolarHBondContact N-O 3.35Å; S171-Y183 PolarHBondContact O-N 3.4Å
172V94.4Very high91.7Very high38 Ų3843.5 Ų43.523%0.2324%0.238CC..EExtended strand (participates in β ladder)trans-100.7119.1168.7-1800000107.4Y101 C104 K180 L181Y101-V172 HydrophobicContact CD2-CG2 4.41Å; C104-V172 HydrophobicContact CB-CG2 3.73Å; V172-K180 HydrophobicContact CG1-CB 3.91Å; V172-K180 HydrophobicContact CG1-CD 4.35Å; V172-K180 HydrophobicContact CG1-CG 4.29Å; V172-L181 CarbonylContact C-O 3.55Å; V172-L181 VanDerWaalsContact CA-O 3.32Å; V172-L181 WeakPolarHBondContact CA-O 3.49Å
173I92Very high91.6Very high4 Ų443.4 Ų43.42%0.02124%0.236CC..EExtended strand (participates in β ladder)trans-115.5129.9-178.1-56.396.5000108.7Y11 L15 R19 K180 L181Y11-I173 HydrophobicContact CE1-CG1 4.1Å; Y11-I173 HydrophobicContact CE1-CG2 4Å; L15-I173 HydrophobicContact CD1-CD1 4.09Å; L15-I173 HydrophobicContact CD2-CD1 4.07Å; L15-I173 HydrophobicContact CD2-CG1 4.25Å; R19-I173 HydrophobicContact CG-CG2 4.43Å; I173-K180 CarbonylContact O-C 3.59Å; I173-K180 WeakPolarHBondContact O-CA 3.5Å; I173-L181 PolarHBondContact N-O 2.8Å; I173-L181 PolarHBondContact O-N 3.32Å
174E91.6Very high91.3Very high124 Ų12443.9 Ų43.958%0.57924%0.237SC*.EExtended strand (participates in β ladder)trans-80.2129.5172.9-169.5168.9175.200110.1R19R19-E174 WeakPolarHBondContact CG-O 3.09Å
175K89.3Confident91.2Very high28 Ų2840 Ų4012%0.12222%0.217CC..  trans-85.1162.4176.3-58.3-170.281.3-166.80110.1M18 D177 S178 R179 L181M18-K175 WeakPolarHBondContact O-CE 3.48Å; M18-K175 PolarHBondContact O-NZ 3.23Å; K175-D177 VanDerWaalsContact CB-OD1 3.31Å; K175-D177 WeakPolarHBondContact CB-OD1 3.42Å; K175-D177 PolarHBondContact O-N 2.76Å; K175-D177 VanDerWaalsContact O-N 3.11Å; K175-S178 PolarHBondContact O-N 2.91Å; K175-R179 WeakPolarHBondContact CB-O 3.4Å; K175-R179 HydrophobicContact CD-CB 4.38Å; K175-R179 WeakPolarHBondContact CG-O 3.17Å; K175-R179 PolarHBondContact N-O 3.18Å; K175-L181 HydrophobicContact CG-CB 4.37Å
176A87.6Confident91.1Very high58 Ų5838.1 Ų38.148%0.47920%0.204SC..THydrogen-bonded Turntrans-61.9-19.417700000114.1R19 N22 S178R19-A176 PolarHBondContact O-N 3.12Å; R19-A176 VanDerWaalsContact O-N 3.11Å; N22-A176 WeakPolarHBondContact ND2-CB 3.31Å; N22-A176 WeakPolarHBondContact OD1-CB 3.4Å; A176-S178 VanDerWaalsContact C-N 3.34Å
177D85.8Confident91Very high51 Ų5138.4 Ų38.427%0.27321%0.207SC..THydrogen-bonded Turntrans-94.121.2173.967.53.2000114.3K175 R179K175-D177 VanDerWaalsContact CB-OD1 3.31Å; K175-D177 WeakPolarHBondContact CB-OD1 3.42Å; K175-D177 PolarHBondContact O-N 2.76Å; K175-D177 VanDerWaalsContact O-N 3.11Å; D177-R179 VanDerWaalsContact CG-NE 3.27Å; D177-R179 PolarHBondContact O-N 3.07Å; D177-R179 VanDerWaalsContact O-N 3.08Å; D177-R179 WeakPolarHBondContact OD1-CB 3.32Å; D177-R179 IonicContact OD1-CZ 3.99Å; D177-R179 PolarHBondContact OD1-N 3.22Å; D177-R179 IonicContact OD1-NE 3.16Å; D177-R179 PolarHBondContact OD1-NE 3.17Å; D177-R179 VanDerWaalsContact OD1-NE 3.16Å; D177-R179 IonicContact OD1-NH2 3.95Å; D177-R179 IonicContact OD2-CZ 3.08Å; D177-R179 IonicContact OD2-NE 2.77Å; D177-R179 PolarHBondContact OD2-NE 3.48Å; D177-R179 IonicContact OD2-NH2 2.64Å; D177-R179 PolarHBondContact OD2-NH2 2.9Å
178S87.6Confident90.5Very high87 Ų8740.4 Ų40.461%0.60822%0.216SC*.SBendtrans66.31.6179-44.70000115.6K175 A176K175-S178 PolarHBondContact O-N 2.91Å; A176-S178 VanDerWaalsContact C-N 3.34Å
179R89.6Confident89.9Confident49 Ų4941.7 Ų41.719%0.18522%0.216CC..  trans-76.6153.1172-64.8-176.2-66.9164.5-5.5110.9S94 S96 K175 D177S94-R179 PolarHBondContact O-NH1 3.29Å; S96-R179 WeakPolarHBondContact OG-CA 3.16Å; K175-R179 WeakPolarHBondContact CB-O 3.4Å; K175-R179 HydrophobicContact CD-CB 4.38Å; K175-R179 WeakPolarHBondContact CG-O 3.17Å; K175-R179 PolarHBondContact N-O 3.18Å; D177-R179 VanDerWaalsContact CG-NE 3.27Å; D177-R179 PolarHBondContact O-N 3.07Å; D177-R179 VanDerWaalsContact O-N 3.08Å; D177-R179 WeakPolarHBondContact OD1-CB 3.32Å; D177-R179 IonicContact OD1-CZ 3.99Å; D177-R179 PolarHBondContact OD1-N 3.22Å; D177-R179 IonicContact OD1-NE 3.16Å; D177-R179 PolarHBondContact OD1-NE 3.17Å; D177-R179 VanDerWaalsContact OD1-NE 3.16Å; D177-R179 IonicContact OD1-NH2 3.95Å; D177-R179 IonicContact OD2-CZ 3.08Å; D177-R179 IonicContact OD2-NE 2.77Å; D177-R179 PolarHBondContact OD2-NE 3.48Å; D177-R179 IonicContact OD2-NH2 2.64Å; D177-R179 PolarHBondContact OD2-NH2 2.9Å
180K92Very high88.9Confident72 Ų7247.8 Ų47.831%0.31325%0.249SC..EExtended strand (participates in β ladder)trans-104.9129.1177.8-68.1171.6-166.9149.50110.5S96 W97 E98 V172 I173S96-K180 PolarHBondContact OG-N 3.04Å; W97-K180 HydrophobicContact CB-CB 4.36Å; W97-K180 WeakPolarHBondContact CB-O 3.27Å; W97-K180 PolarHBondContact N-O 3.39Å; W97-K180 VanDerWaalsContact O-CB 3.24Å; W97-K180 WeakPolarHBondContact O-CB 3.28Å; E98-K180 IonicContact OE2-NZ 2.76Å; E98-K180 PolarHBondContact OE2-NZ 3.33Å; V172-K180 HydrophobicContact CG1-CB 3.91Å; V172-K180 HydrophobicContact CG1-CD 4.35Å; V172-K180 HydrophobicContact CG1-CG 4.29Å; I173-K180 CarbonylContact O-C 3.59Å; I173-K180 WeakPolarHBondContact O-CA 3.5Å
181L90.9Very high88Confident25 Ų2547.5 Ų47.513%0.13125%0.252CS..EExtended strand (participates in β ladder)trans-104.4121.2176.1-171.777.1000109.5L15 M18 V172 I173 K175 Y183L15-L181 HydrophobicContact CD1-CD2 4.14Å; M18-L181 HydrophobicContact CB-CD2 4.5Å; M18-L181 HydrophobicContact SD-CD2 4.48Å; V172-L181 CarbonylContact C-O 3.55Å; V172-L181 VanDerWaalsContact CA-O 3.32Å; V172-L181 WeakPolarHBondContact CA-O 3.49Å; I173-L181 PolarHBondContact N-O 2.8Å; I173-L181 PolarHBondContact O-N 3.32Å; K175-L181 HydrophobicContact CG-CB 4.37Å; L181-Y183 HydrophobicContact CD2-CD2 4.25Å; L181-Y183 HydrophobicContact CD2-CG 3.92Å; L181-Y183 HydrophobicContact CG-CD2 4.44Å; L181-Y183 HydrophobicContact CG-CG 4.42Å; L181-Y183 PolarHBondContact O-N 2.92Å
182C93.1Very high87.2Confident12 Ų1249.3 Ų49.38%0.08126%0.264CS..EExtended strand (participates in β ladder)trans-84.4103.1164.9173.30000108.3W97 C104 R170 S171W97-C182 HydrophobicContact CB-CB 4.02Å; W97-C182 HydrophobicContact CD2-CB 3.82Å; W97-C182 HydrophobicContact CE3-CB 4.27Å; W97-C182 HydrophobicContact CG-CB 3.66Å; C104-C182 WeakPolarHBondContact CA-SG 3.33Å; C104-C182 HydrophobicContact CB-CB 3.88Å; C104-C182 WeakPolarHBondContact CB-SG 3.38Å; C104-C182 VanDerWaalsContact SG-CA 3.58Å; C104-C182 WeakPolarHBondContact SG-CB 3.34Å; C104-C182 CovalentContact SG-SG 2.03Å; C104-C182 PolarHBondContact SG-SG 3.31Å; R170-C182 PolarHBondContact NE-SG 3.47Å; R170-C182 PolarHBondContact NH2-O 3.1Å; S171-C182 WeakPolarHBondContact O-CA 3.46Å
183Y92.3Very high86.3Confident31 Ų3152.8 Ų52.812%0.12228%0.278CS..EExtended strand (participates in β ladder)trans-144.4171.1-175.1-141.5-107.4000115L15 M18 R170 S171 L181 N185 E270 L287L15-Y183 HydrophobicContact CD1-CD1 4.31Å; M18-Y183 HydrophobicContact CE-CD1 3.6Å; M18-Y183 HydrophobicContact CE-CE1 3.5Å; M18-Y183 VanDerWaalsContact CE-CE1 3.5Å; M18-Y183 HydrophobicContact CE-CG 4.4Å; M18-Y183 HydrophobicContact SD-CD1 4.48Å; M18-Y183 HydrophobicContact SD-CE1 4.25Å; R170-Y183 WeakPolarHBondContact CD-O 3.05Å; S171-Y183 PolarHBondContact N-O 3.35Å; S171-Y183 PolarHBondContact O-N 3.4Å; L181-Y183 HydrophobicContact CD2-CD2 4.25Å; L181-Y183 HydrophobicContact CD2-CG 3.92Å; L181-Y183 HydrophobicContact CG-CD2 4.44Å; L181-Y183 HydrophobicContact CG-CG 4.42Å; L181-Y183 PolarHBondContact O-N 2.92Å; Y183-N185 PolarHBondContact O-N 2.75Å; Y183-E270 VanDerWaalsContact CE1-OE1 3.25Å; Y183-E270 WeakPolarHBondContact CE1-OE1 3.26Å; Y183-E270 VanDerWaalsContact CZ-OE1 3.25Å; Y183-E270 VanDerWaalsContact OH-CD 3.23Å; Y183-E270 PolarHBondContact OH-OE1 2.03Å; Y183-L287 HydrophobicContact CE2-CD2 4.42Å; Y183-L287 WeakPolarHBondContact OH-CD2 3.3Å
184H91.4Very high85.6Confident17 Ų1760.6 Ų60.68%0.07932%0.32CS..EExtended strand (participates in β ladder)trans-73.4121.7172.3-56.6103.2000109.8F112 Y166 F169 R170 F186F112-H184 AromaticContact CE2-NE2 3.73Å; F112-H184 AromaticContact CZ-CE1 4Å; F112-H184 AromaticContact CZ-NE2 3.99Å; Y166-H184 AromaticContact CD1-NE2 3.99Å; F169-H184 CarbonylContact O-C 3.6Å; F169-H184 WeakPolarHBondContact O-CA 3.16Å; R170-H184 PolarHBondContact NH1-CE1 2.97Å; R170-H184 PolarHBondContact NH1-ND1 3.49Å; H184-F186 HydrophobicContact CB-CD2 4.25Å; H184-F186 HydrophobicContact CB-CE1 4.35Å; H184-F186 HydrophobicContact CB-CE2 3.71Å; H184-F186 HydrophobicContact CB-CZ 3.78Å
185N91.5Very high85.3Confident8 Ų855.9 Ų55.94%0.04330%0.3CS..  trans-109.289.8167.4-176.81.9000109L15 F169 Y183 A187 L188L15-N185 HydrophobicContact CD2-CB 3.71Å; F169-N185 PolarHBondContact O-N 3.41Å; Y183-N185 PolarHBondContact O-N 2.75Å; N185-A187 PolarHBondContact O-N 3.13Å; N185-A187 WeakPolarHBondContact OD1-CB 3.36Å; N185-A187 PolarHBondContact OD1-N 3.42Å; N185-A187 VanDerWaalsContact OD1-N 3.13Å; N185-L188 HydrophobicContact CB-CD1 3.8Å; N185-L188 HydrophobicContact CB-CG 3.79Å; N185-L188 WeakPolarHBondContact O-CB 3.36Å; N185-L188 VanDerWaalsContact O-CD1 3.31Å; N185-L188 WeakPolarHBondContact O-CD1 3.27Å; N185-L188 WeakPolarHBondContact O-CG 3.45Å; N185-L188 PolarHBondContact O-N 3.49Å
186F89.9Confident85.1Confident11 Ų1155.8 Ų55.85%0.04830%0.301CS..THydrogen-bonded Turntrans-70.1-8.2179.7-64.7-64.8000113.8F169 H184 R203 Q204 T207F169-F186 HydrophobicContact CB-CD1 3.86Å; F169-F186 HydrophobicContact CB-CE1 4.04Å; F169-F186 HydrophobicContact CD1-CD1 4.24Å; F169-F186 AromaticContact CD2-CD1 3.83Å; F169-F186 HydrophobicContact CD2-CD1 3.83Å; F169-F186 AromaticContact CD2-CE1 3.98Å; F169-F186 HydrophobicContact CD2-CE1 3.98Å; F169-F186 HydrophobicContact CE2-CD1 4.47Å; F169-F186 AromaticContact CG-CD1 3.72Å; F169-F186 HydrophobicContact CG-CD1 3.72Å; F169-F186 HydrophobicContact CG-CE1 4.15Å; H184-F186 HydrophobicContact CB-CD2 4.25Å; H184-F186 HydrophobicContact CB-CE1 4.35Å; H184-F186 HydrophobicContact CB-CE2 3.71Å; H184-F186 HydrophobicContact CB-CZ 3.78Å; F186-R203 HydrophobicContact CB-CB 4.06Å; F186-R203 HydrophobicContact CD1-CB 3.67Å; F186-R203 HydrophobicContact CE1-CB 4.31Å; F186-R203 HydrophobicContact CG-CB 3.95Å; F186-R203 PolarHBondContact O-NH1 3.21Å; F186-Q204 HydrophobicContact CD2-CB 3.95Å; F186-Q204 HydrophobicContact CD2-CG 4.33Å; F186-Q204 HydrophobicContact CE2-CB 3.78Å; F186-Q204 HydrophobicContact CE2-CG 3.83Å; F186-T207 HydrophobicContact CE1-CG2 4.02Å; F186-T207 HydrophobicContact CZ-CG2 4.32Å; F186-T207 WeakPolarHBondContact CZ-OG1 3.07Å
187A87.8Confident85Confident9 Ų958.6 Ų58.67%0.07430%0.304CS..THydrogen-bonded Turntrans-89.4-4.4175.400000113.7L10 N185 Y189 L196L10-A187 HydrophobicContact CB-CB 4.43Å; L10-A187 WeakPolarHBondContact O-CB 3.36Å; N185-A187 PolarHBondContact O-N 3.13Å; N185-A187 WeakPolarHBondContact OD1-CB 3.36Å; N185-A187 PolarHBondContact OD1-N 3.42Å; N185-A187 VanDerWaalsContact OD1-N 3.13Å; A187-Y189 VanDerWaalsContact C-N 3.26Å; A187-Y189 PolarHBondContact O-N 3.04Å; A187-Y189 VanDerWaalsContact O-N 3.16Å; A187-L196 HydrophobicContact CB-CD1 3.53Å
188L82.4Confident85.1Confident62 Ų6261.9 Ų61.933%0.32532%0.319SS..SBendtrans-53.6-36.3-175.8-90.1161.1000114.9N185N185-L188 HydrophobicContact CB-CD1 3.8Å; N185-L188 HydrophobicContact CB-CG 3.79Å; N185-L188 WeakPolarHBondContact O-CB 3.36Å; N185-L188 VanDerWaalsContact O-CD1 3.31Å; N185-L188 WeakPolarHBondContact O-CD1 3.27Å; N185-L188 WeakPolarHBondContact O-CG 3.45Å; N185-L188 PolarHBondContact O-N 3.49Å
189Y79.8Confident85.1Confident107 Ų10759.2 Ų59.242%0.4230%0.298SS..SBendtrans-131.7140.2-171.7-59.2-71.8000110.6I168 F169 A187 S191 R203I168-Y189 HydrophobicContact CG2-CD2 3.89Å; I168-Y189 HydrophobicContact CG2-CE2 3.53Å; I168-Y189 WeakPolarHBondContact O-CE2 3.38Å; F169-Y189 HydrophobicContact CD1-CD2 4.23Å; F169-Y189 HydrophobicContact CE1-CD2 4.1Å; A187-Y189 VanDerWaalsContact C-N 3.26Å; A187-Y189 PolarHBondContact O-N 3.04Å; A187-Y189 VanDerWaalsContact O-N 3.16Å; Y189-S191 PolarHBondContact O-N 3.37Å; Y189-S191 VanDerWaalsContact O-N 3.13Å; Y189-R203 PolarHBondContact O-NH1 3.21Å; Y189-R203 PolarHBondContact O-NH2 3.35Å; Y189-R203 VanDerWaalsContact O-NH2 3.13Å
190L71.3Confident85.1Confident161 Ų16157 Ų5784%0.84329%0.29SS*.SBendtrans54.835.4166.5-59.1161000113.6R203L190-R203 PolarHBondContact O-NH2 2.96Å
191S73.4Confident85Confident21 Ų2155.2 Ų55.215%0.14728%0.284CS..  trans-117.7127.5174.3-69.50000108.9Y189 D199Y189-S191 PolarHBondContact O-N 3.37Å; Y189-S191 VanDerWaalsContact O-N 3.13Å; S191-D199 PolarHBondContact OG-OD2 3.47Å
192S77.4Confident85Confident60 Ų6058.6 Ų58.642%0.4231%0.305SS..  trans-102.2159.2171.163.30000109.2D194 S195 L196S192-D194 PolarHBondContact O-N 3.07Å; S192-S195 PolarHBondContact N-OG 3.26Å; S192-S195 PolarHBondContact O-N 2.55Å; S192-S195 VanDerWaalsContact O-N 3.08Å; S192-S195 PolarHBondContact O-OG 2.87Å; S192-S195 WeakPolarHBondContact OG-CB 3.42Å; S192-S195 PolarHBondContact OG-N 2.75Å; S192-S195 PolarHBondContact OG-OG 3.11Å; S192-L196 WeakPolarHBondContact O-CB 3.21Å; S192-L196 PolarHBondContact O-N 3.35Å
193E75.8Confident85Confident111 Ų11160 Ų6052%0.51931%0.309SS..THydrogen-bonded Turntrans-53.7-41.1177.8-75.9-173.1172.300112L10 S195L10-E193 HydrophobicContact CD2-CG 3.7Å; E193-S195 VanDerWaalsContact C-N 3.34Å; E193-S195 PolarHBondContact O-N 3.47Å
194D78Confident84.9Confident169 Ų16959 Ų5990%0.90431%0.305SS*.THydrogen-bonded Turntrans-68.7-27.8-179.8-63.3-32.5000113.7S192S192-D194 PolarHBondContact O-N 3.07Å
195S84.3Confident85Confident25 Ų2558.5 Ų58.518%0.17531%0.305CS..THydrogen-bonded Turntrans-104.8-6-176.273.40000114.3S192 E193 E197 M198 D199S192-S195 PolarHBondContact N-OG 3.26Å; S192-S195 PolarHBondContact O-N 2.55Å; S192-S195 VanDerWaalsContact O-N 3.08Å; S192-S195 PolarHBondContact O-OG 2.87Å; S192-S195 WeakPolarHBondContact OG-CB 3.42Å; S192-S195 PolarHBondContact OG-N 2.75Å; S192-S195 PolarHBondContact OG-OG 3.11Å; E193-S195 VanDerWaalsContact C-N 3.34Å; E193-S195 PolarHBondContact O-N 3.47Å; S195-E197 PolarHBondContact O-N 3.5Å; S195-M198 PolarHBondContact O-N 2.96Å; S195-D199 WeakPolarHBondContact CB-OD2 3.42Å; S195-D199 WeakPolarHBondContact O-CB 3.43Å; S195-D199 PolarHBondContact O-N 3.08Å; S195-D199 PolarHBondContact OG-OD2 3.34Å
196L85.9Confident85Confident26 Ų2660.8 Ų60.814%0.13633%0.325CS..Hα-helixtrans-55.2-50.6-166.7-176.367.5000113.1L10 A187 S192 M198 D199 C200L10-L196 HydrophobicContact CB-CD1 4.25Å; L10-L196 HydrophobicContact CD2-CD2 4.05Å; A187-L196 HydrophobicContact CB-CD1 3.53Å; S192-L196 WeakPolarHBondContact O-CB 3.21Å; S192-L196 PolarHBondContact O-N 3.35Å; L196-M198 PolarHBondContact O-N 3.44Å; L196-D199 PolarHBondContact O-N 3.1Å; L196-C200 VanDerWaalsContact O-CB 3.3Å; L196-C200 WeakPolarHBondContact O-CB 3.35Å; L196-C200 PolarHBondContact O-N 2.98Å; L196-C200 PolarHBondContact O-SG 3.45Å
197E84.6Confident85.1Confident116 Ų11660.9 Ų60.954%0.54233%0.327SS..Hα-helixtrans-63.7-43.7-176.9-173.8177172.200111.6S195 N201S195-E197 PolarHBondContact O-N 3.5Å; E197-N201 VanDerWaalsContact O-CB 3.28Å; E197-N201 WeakPolarHBondContact O-CB 3.44Å; E197-N201 VanDerWaalsContact O-CG 3.31Å; E197-N201 PolarHBondContact O-N 3.32Å; E197-N201 PolarHBondContact O-ND2 3.27Å
198M86.9Confident85.4Confident120 Ų12060.6 Ų60.659%0.59133%0.325SS*.Hα-helixtrans-63.7-48.3177.3-177.9179.364.200111.1S195 L196 C200 N201 V202S195-M198 PolarHBondContact O-N 2.96Å; L196-M198 PolarHBondContact O-N 3.44Å; M198-C200 PolarHBondContact O-N 2.82Å; M198-N201 PolarHBondContact O-N 2.89Å; M198-V202 HydrophobicContact CG-CG2 4.41Å; M198-V202 WeakPolarHBondContact O-CB 3.44Å; M198-V202 VanDerWaalsContact O-CG2 3.31Å; M198-V202 WeakPolarHBondContact O-CG2 3.24Å; M198-V202 PolarHBondContact O-N 3.16Å
199D89Confident86Confident31 Ų3162 Ų6217%0.16633%0.331CS..Hα-helixtrans-60.7-46.1-179.9-74.1-35.2000111.6S191 S195 L196 V202 R203S191-D199 PolarHBondContact OG-OD2 3.47Å; S195-D199 WeakPolarHBondContact CB-OD2 3.42Å; S195-D199 WeakPolarHBondContact O-CB 3.43Å; S195-D199 PolarHBondContact O-N 3.08Å; S195-D199 PolarHBondContact OG-OD2 3.34Å; L196-D199 PolarHBondContact O-N 3.1Å; D199-V202 PolarHBondContact O-N 3.28Å; D199-R203 VanDerWaalsContact O-CB 3.26Å; D199-R203 WeakPolarHBondContact O-CB 3.22Å; D199-R203 WeakPolarHBondContact O-CD 3.5Å; D199-R203 WeakPolarHBondContact O-CG 3.44Å; D199-R203 PolarHBondContact O-N 3.2Å
200C89.7Confident86.7Confident2 Ų258.8 Ų58.81%0.01432%0.324CS..Hα-helixtrans-61-47.6177.1-71.80000111.4C12 L196 M198 R203 Q204C12-C200 WeakPolarHBondContact CA-SG 3.43Å; C12-C200 HydrophobicContact CB-CB 3.68Å; C12-C200 WeakPolarHBondContact CB-SG 3.29Å; C12-C200 WeakPolarHBondContact SG-CB 3.46Å; C12-C200 CovalentContact SG-SG 2.03Å; C12-C200 PolarHBondContact SG-SG 3.42Å; L196-C200 VanDerWaalsContact O-CB 3.3Å; L196-C200 WeakPolarHBondContact O-CB 3.35Å; L196-C200 PolarHBondContact O-N 2.98Å; L196-C200 PolarHBondContact O-SG 3.45Å; M198-C200 PolarHBondContact O-N 2.82Å; C200-R203 PolarHBondContact O-N 2.72Å; C200-Q204 WeakPolarHBondContact O-CB 3.43Å; C200-Q204 PolarHBondContact O-N 3.04Å
201N89.5Confident87.8Confident36 Ų3651.4 Ų51.419%0.19329%0.285CS..Hα-helixtrans-62-45.6179.5-82.5-33.7000112.6E197 M198 G205 Q274 Y275E197-N201 VanDerWaalsContact O-CB 3.28Å; E197-N201 WeakPolarHBondContact O-CB 3.44Å; E197-N201 VanDerWaalsContact O-CG 3.31Å; E197-N201 PolarHBondContact O-N 3.32Å; E197-N201 PolarHBondContact O-ND2 3.27Å; M198-N201 PolarHBondContact O-N 2.89Å; N201-G205 PolarHBondContact O-N 2.85Å; N201-Q274 VanDerWaalsContact OD1-CD 3.31Å; N201-Q274 PolarHBondContact OD1-NE2 3.41Å; N201-Q274 PolarHBondContact OD1-OE1 3.37Å; N201-Y275 PolarHBondContact ND2-OH 3.37Å
202V91.2Very high88.8Confident95 Ų9553.3 Ų53.358%0.57629%0.291SS*.Hα-helixtrans-66.2-46.7179.3171.70000110.8M198 D199 G205 A206M198-V202 HydrophobicContact CG-CG2 4.41Å; M198-V202 WeakPolarHBondContact O-CB 3.44Å; M198-V202 VanDerWaalsContact O-CG2 3.31Å; M198-V202 WeakPolarHBondContact O-CG2 3.24Å; M198-V202 PolarHBondContact O-N 3.16Å; D199-V202 PolarHBondContact O-N 3.28Å; V202-G205 PolarHBondContact O-N 3.25Å; V202-A206 WeakPolarHBondContact O-CB 3.15Å; V202-A206 PolarHBondContact O-N 3.26Å
203R92.3Very high89.7Confident43 Ų4353.2 Ų53.216%0.16229%0.286CS..Hα-helixtrans-68.1-42.7-177.9-67.8168.2-169.7-170.84.1112F186 Y189 L190 D199 C200 T207F186-R203 HydrophobicContact CB-CB 4.06Å; F186-R203 HydrophobicContact CD1-CB 3.67Å; F186-R203 HydrophobicContact CE1-CB 4.31Å; F186-R203 HydrophobicContact CG-CB 3.95Å; F186-R203 PolarHBondContact O-NH1 3.21Å; Y189-R203 PolarHBondContact O-NH1 3.21Å; Y189-R203 PolarHBondContact O-NH2 3.35Å; Y189-R203 VanDerWaalsContact O-NH2 3.13Å; L190-R203 PolarHBondContact O-NH2 2.96Å; D199-R203 VanDerWaalsContact O-CB 3.26Å; D199-R203 WeakPolarHBondContact O-CB 3.22Å; D199-R203 WeakPolarHBondContact O-CD 3.5Å; D199-R203 WeakPolarHBondContact O-CG 3.44Å; D199-R203 PolarHBondContact O-N 3.2Å; C200-R203 PolarHBondContact O-N 2.72Å; R203-T207 WeakPolarHBondContact O-CB 3.07Å; R203-T207 WeakPolarHBondContact O-CG2 3.37Å; R203-T207 PolarHBondContact O-N 3.31Å; R203-T207 PolarHBondContact O-OG1 3.25Å
204Q91.7Very high90.7Very high8 Ų850.4 Ų50.44%0.03727%0.274CS..Hα-helixtrans-64.1-44.5175.4-165.4-175.2-34.500110.8F186 C200 T207 A208 E270 M271F186-Q204 HydrophobicContact CD2-CB 3.95Å; F186-Q204 HydrophobicContact CD2-CG 4.33Å; F186-Q204 HydrophobicContact CE2-CB 3.78Å; F186-Q204 HydrophobicContact CE2-CG 3.83Å; C200-Q204 WeakPolarHBondContact O-CB 3.43Å; C200-Q204 PolarHBondContact O-N 3.04Å; Q204-T207 PolarHBondContact O-N 2.91Å; Q204-T207 PolarHBondContact O-OG1 3.45Å; Q204-A208 VanDerWaalsContact O-CB 3.24Å; Q204-A208 WeakPolarHBondContact O-CB 3.37Å; Q204-A208 PolarHBondContact O-N 2.82Å; Q204-E270 PolarHBondContact NE2-O 2.89Å; Q204-M271 HydrophobicContact CB-CE 4.37Å; Q204-M271 HydrophobicContact CB-SD 3.87Å; Q204-M271 HydrophobicContact CG-SD 3.47Å; Q204-M271 WeakPolarHBondContact CG-SD 3.42Å
205G92.1Very high91.5Very high8 Ų842.4 Ų42.48%0.08223%0.231CC..Hα-helixtrans-64.2-47.5177.900000112.5N201 V202 T207 A208 I209 M271N201-G205 PolarHBondContact O-N 2.85Å; V202-G205 PolarHBondContact O-N 3.25Å; G205-T207 PolarHBondContact O-N 3.23Å; G205-A208 PolarHBondContact O-N 2.91Å; G205-I209 VanDerWaalsContact O-CB 3.29Å; G205-I209 WeakPolarHBondContact O-CB 3.12Å; G205-I209 VanDerWaalsContact O-CG1 3.24Å; G205-I209 WeakPolarHBondContact O-CG1 3.26Å; G205-I209 PolarHBondContact O-N 3.19Å; G205-M271 VanDerWaalsContact CA-SD 3.51Å; G205-M271 VanDerWaalsContact N-CE 3.35Å; G205-M271 PolarHBondContact N-SD 2.87Å; G205-M271 VanDerWaalsContact N-SD 3.41Å
206A92.7Very high92Very high55 Ų5542.1 Ų42.146%0.45523%0.227SC..Hα-helixtrans-59.6-45.9178.500000111.4V202 S210V202-A206 WeakPolarHBondContact O-CB 3.15Å; V202-A206 PolarHBondContact O-N 3.26Å; A206-S210 WeakPolarHBondContact O-CB 3.32Å; A206-S210 PolarHBondContact O-N 2.73Å; A206-S210 PolarHBondContact O-OG 2.93Å
207T92.4Very high92.4Very high14 Ų1445.1 Ų45.19%0.08624%0.239CC..Hα-helixtrans-69-41.7178.153.40000112.1P165 Y166 F186 R203 Q204 G205 S210 K211P165-T207 HydrophobicContact CB-CG2 4.37Å; Y166-T207 HydrophobicContact CE1-CG2 4.11Å; Y166-T207 PolarHBondContact OH-O 2.8Å; F186-T207 HydrophobicContact CE1-CG2 4.02Å; F186-T207 HydrophobicContact CZ-CG2 4.32Å; F186-T207 WeakPolarHBondContact CZ-OG1 3.07Å; R203-T207 WeakPolarHBondContact O-CB 3.07Å; R203-T207 WeakPolarHBondContact O-CG2 3.37Å; R203-T207 PolarHBondContact O-N 3.31Å; R203-T207 PolarHBondContact O-OG1 3.25Å; Q204-T207 PolarHBondContact O-N 2.91Å; Q204-T207 PolarHBondContact O-OG1 3.45Å; G205-T207 PolarHBondContact O-N 3.23Å; T207-S210 PolarHBondContact O-OG 3.32Å; T207-K211 VanDerWaalsContact O-CG 3.27Å; T207-K211 WeakPolarHBondContact O-CG 3.19Å; T207-K211 PolarHBondContact O-N 3.22Å
208A93.3Very high93Very high3 Ų344.6 Ų44.63%0.02524%0.235CC..Hα-helixtrans-65.3-45.5178.400000113.1Q204 G205 K211 F212 I268 M271Q204-A208 VanDerWaalsContact O-CB 3.24Å; Q204-A208 WeakPolarHBondContact O-CB 3.37Å; Q204-A208 PolarHBondContact O-N 2.82Å; G205-A208 PolarHBondContact O-N 2.91Å; A208-K211 WeakPolarHBondContact O-CG 3.42Å; A208-F212 WeakPolarHBondContact O-CB 3.17Å; A208-F212 PolarHBondContact O-N 3.5Å; A208-I268 HydrophobicContact CB-CD1 4.38Å; A208-M271 HydrophobicContact CB-CG 4.16Å; A208-M271 HydrophobicContact CB-SD 4.12Å
209I94.8Very high93.3Very high91 Ų9139.3 Ų39.347%0.46721%0.21SC..Hα-helixtrans-73-44.7-178.9-64.5167.7000110.6G205 K211 F212 L213G205-I209 VanDerWaalsContact O-CB 3.29Å; G205-I209 WeakPolarHBondContact O-CB 3.12Å; G205-I209 VanDerWaalsContact O-CG1 3.24Å; G205-I209 WeakPolarHBondContact O-CG1 3.26Å; G205-I209 PolarHBondContact O-N 3.19Å; I209-K211 PolarHBondContact O-N 3.47Å; I209-F212 PolarHBondContact O-N 3.01Å; I209-L213 HydrophobicContact CG2-CD1 3.78Å; I209-L213 HydrophobicContact CG2-CG 4.2Å; I209-L213 WeakPolarHBondContact O-CG 3.48Å; I209-L213 PolarHBondContact O-N 2.8Å
210S94.5Very high93.5Very high39 Ų3939.6 Ų39.627%0.27321%0.211SC..Hα-helixtrans-61.7-45.9-179.1610000112Y166 A206 T207 F212 L213 L214Y166-S210 PolarHBondContact OH-OG 3.34Å; A206-S210 WeakPolarHBondContact O-CB 3.32Å; A206-S210 PolarHBondContact O-N 2.73Å; A206-S210 PolarHBondContact O-OG 2.93Å; T207-S210 PolarHBondContact O-OG 3.32Å; S210-F212 VanDerWaalsContact C-N 3.35Å; S210-F212 PolarHBondContact O-N 3.44Å; S210-L213 PolarHBondContact O-N 3.42Å; S210-L214 VanDerWaalsContact O-CB 3.24Å; S210-L214 WeakPolarHBondContact O-CB 3.34Å; S210-L214 VanDerWaalsContact O-CG 3.29Å; S210-L214 WeakPolarHBondContact O-CG 3.48Å; S210-L214 PolarHBondContact O-N 3.48Å
211K93.9Very high93.8Very high6 Ų643.3 Ų43.33%0.02623%0.234CC..Hα-helixtrans-63.6-39.7176.269-169.2-178.4-174.10112.6F112 M115 F116 Y166 T207 A208 I209 A215 Y263 C267F112-K211 HydrophobicContact CE1-CD 4.26Å; M115-K211 HydrophobicContact CE-CB 3.7Å; F116-K211 HydrophobicContact CZ-CB 4.25Å; Y166-K211 HydrophobicContact CE1-CD 4.03Å; Y166-K211 WeakPolarHBondContact OH-CB 3.47Å; T207-K211 VanDerWaalsContact O-CG 3.27Å; T207-K211 WeakPolarHBondContact O-CG 3.19Å; T207-K211 PolarHBondContact O-N 3.22Å; A208-K211 WeakPolarHBondContact O-CG 3.42Å; I209-K211 PolarHBondContact O-N 3.47Å; K211-A215 WeakPolarHBondContact O-CA 3.21Å; K211-A215 WeakPolarHBondContact O-CB 3.31Å; K211-A215 PolarHBondContact O-N 2.64Å; K211-Y263 HydrophobicContact CD-CE1 4.47Å; K211-Y263 PolarHBondContact NZ-OH 2.93Å; K211-C267 VanDerWaalsContact CE-CB 3.41Å; K211-C267 WeakPolarHBondContact CE-SG 3.4Å; K211-C267 PolarHBondContact NZ-SG 2.89Å
212F95.7Very high94Very high62 Ų6244 Ų4427%0.27224%0.239SC..Hα-helixtrans-60.4-47.2176.1167.6-105.3000111.3A208 I209 S210 F216 F217 H264A208-F212 WeakPolarHBondContact O-CB 3.17Å; A208-F212 PolarHBondContact O-N 3.5Å; I209-F212 PolarHBondContact O-N 3.01Å; S210-F212 VanDerWaalsContact C-N 3.35Å; S210-F212 PolarHBondContact O-N 3.44Å; F212-F216 AromaticContact CD2-CD1 3.91Å; F212-F216 HydrophobicContact CD2-CD1 3.91Å; F212-F216 AromaticContact CE2-CD1 3.63Å; F212-F216 HydrophobicContact CE2-CD1 3.63Å; F212-F216 HydrophobicContact CE2-CE1 4.12Å; F212-F216 WeakPolarHBondContact O-CB 3.46Å; F212-F216 PolarHBondContact O-N 2.92Å; F212-F217 HydrophobicContact CE1-CB 4.12Å; F212-F217 HydrophobicContact CZ-CB 4.12Å; F212-F217 HydrophobicContact CZ-CD2 4.32Å; F212-F217 PolarHBondContact O-N 3.49Å; F212-H264 HydrophobicContact CD2-CB 3.94Å
213L96.4Very high94Very high57 Ų5739.6 Ų39.630%0.29821%0.212SC..Iπ-helixtrans-67.9-52.3-178.9-68.7178000111.9I209 S210 F217 F218I209-L213 HydrophobicContact CG2-CD1 3.78Å; I209-L213 HydrophobicContact CG2-CG 4.2Å; I209-L213 WeakPolarHBondContact O-CG 3.48Å; I209-L213 PolarHBondContact O-N 2.8Å; S210-L213 PolarHBondContact O-N 3.42Å; L213-F217 HydrophobicContact CD2-CB 4.37Å; L213-F217 HydrophobicContact CD2-CD1 4.21Å; L213-F217 HydrophobicContact CD2-CG 4.48Å; L213-F218 HydrophobicContact CB-CD2 4.26Å; L213-F218 HydrophobicContact CB-CE2 3.91Å; L213-F218 WeakPolarHBondContact O-CD2 3.42Å; L213-F218 WeakPolarHBondContact O-CG 3.44Å; L213-F218 PolarHBondContact O-N 3.31Å
214L95.3Very high93.8Very high53 Ų5338.8 Ų38.828%0.27721%0.214SC..Iπ-helixtrans-79.2-34.6-169.2-63.9179.1000113.4F116 W158 N162 S210 F218 P219F116-L214 HydrophobicContact CE1-CB 4.06Å; W158-L214 HydrophobicContact CH2-CB 4.08Å; W158-L214 HydrophobicContact CZ2-CB 3.95Å; W158-L214 HydrophobicContact CZ2-CD1 4.31Å; W158-L214 HydrophobicContact CZ2-CD2 4.33Å; W158-L214 HydrophobicContact CZ2-CG 4.42Å; N162-L214 VanDerWaalsContact OD1-CD1 3.29Å; N162-L214 WeakPolarHBondContact OD1-CD1 3.49Å; S210-L214 VanDerWaalsContact O-CB 3.24Å; S210-L214 WeakPolarHBondContact O-CB 3.34Å; S210-L214 VanDerWaalsContact O-CG 3.29Å; S210-L214 WeakPolarHBondContact O-CG 3.48Å; S210-L214 PolarHBondContact O-N 3.48Å; L214-F218 HydrophobicContact CD2-CD2 4.19Å; L214-F218 HydrophobicContact CD2-CE2 4.32Å; L214-P219 WeakPolarHBondContact O-CD 3.39Å; L214-P219 VanDerWaalsContact O-CG 3.26Å; L214-P219 WeakPolarHBondContact O-CG 3.4Å
215A94.5Very high93.8Very high0 Ų039.9 Ų39.90%023%0.228CC..Iπ-helixtrans-102.9-9.8-176.200000114.2M115 F116 A119 K211M115-A215 HydrophobicContact CE-CB 3.79Å; M115-A215 HydrophobicContact CG-CB 3.65Å; M115-A215 HydrophobicContact SD-CB 3.99Å; F116-A215 HydrophobicContact CD1-CB 3.71Å; F116-A215 HydrophobicContact CE1-CB 3.76Å; A119-A215 WeakPolarHBondContact CB-O 3.47Å; K211-A215 WeakPolarHBondContact O-CA 3.21Å; K211-A215 WeakPolarHBondContact O-CB 3.31Å; K211-A215 PolarHBondContact O-N 2.64Å
216F94.7Very high93.7Very high19 Ų1939.8 Ų39.88%0.08323%0.226CC..Iπ-helixtrans-130.9-63.2-179-177.5-101.6000113.4F212 P219 L220 F256 W260 A261 H264F212-F216 AromaticContact CD2-CD1 3.91Å; F212-F216 HydrophobicContact CD2-CD1 3.91Å; F212-F216 AromaticContact CE2-CD1 3.63Å; F212-F216 HydrophobicContact CE2-CD1 3.63Å; F212-F216 HydrophobicContact CE2-CE1 4.12Å; F212-F216 WeakPolarHBondContact O-CB 3.46Å; F212-F216 PolarHBondContact O-N 2.92Å; F216-P219 WeakPolarHBondContact O-CD 3.38Å; F216-L220 HydrophobicContact CE1-CD2 4.16Å; F216-L220 HydrophobicContact CZ-CD2 4.02Å; F216-L220 WeakPolarHBondContact O-CB 3.39Å; F216-L220 PolarHBondContact O-N 2.86Å; F216-F256 HydrophobicContact CD2-CD1 4.27Å; F216-F256 AromaticContact CD2-CE1 3.57Å; F216-F256 HydrophobicContact CD2-CE1 3.57Å; F216-F256 HydrophobicContact CD2-CZ 4.16Å; F216-F256 HydrophobicContact CE2-CD1 4.19Å; F216-F256 AromaticContact CE2-CE1 3.93Å; F216-F256 HydrophobicContact CE2-CE1 3.93Å; F216-F256 HydrophobicContact CG-CE1 4.43Å; F216-W260 HydrophobicContact CD2-CB 3.7Å; F216-W260 HydrophobicContact CE2-CB 3.97Å; F216-A261 HydrophobicContact CE1-CB 4.44Å; F216-A261 HydrophobicContact CE2-CB 3.99Å; F216-A261 HydrophobicContact CZ-CB 3.6Å; F216-H264 VanDerWaalsContact CB-CD2 3.42Å; F216-H264 WeakPolarHBondContact CB-CD2 3.49Å; F216-H264 WeakPolarHBondContact CB-NE2 3.44Å; F216-H264 AromaticContact CD2-CD2 3.77Å; F216-H264 AromaticContact CG-CD2 3.58Å
217F95.9Very high93.3Very high90 Ų9037.6 Ų37.640%0.39521%0.206SC..Iπ-helixtrans-63.6-55.4-171.5-178.9-101.1000112.9F212 L213 L220 V221F212-F217 HydrophobicContact CE1-CB 4.12Å; F212-F217 HydrophobicContact CZ-CB 4.12Å; F212-F217 HydrophobicContact CZ-CD2 4.32Å; F212-F217 PolarHBondContact O-N 3.49Å; L213-F217 HydrophobicContact CD2-CB 4.37Å; L213-F217 HydrophobicContact CD2-CD1 4.21Å; L213-F217 HydrophobicContact CD2-CG 4.48Å; F217-L220 PolarHBondContact O-N 3.44Å; F217-V221 HydrophobicContact CD1-CG2 4.5Å; F217-V221 HydrophobicContact CE1-CG2 4.17Å; F217-V221 HydrophobicContact CE2-CG2 4.24Å; F217-V221 HydrophobicContact CZ-CG2 4.03Å; F217-V221 WeakPolarHBondContact O-CG2 3.24Å; F217-V221 PolarHBondContact O-N 3.26Å
218F95.9Very high93.1Very high104 Ų10441.9 Ų41.946%0.45623%0.227SC..Hα-helixtrans-64-46.3179.6-63-49.5000112.7L213 L214 L220 V221 V222L213-F218 HydrophobicContact CB-CD2 4.26Å; L213-F218 HydrophobicContact CB-CE2 3.91Å; L213-F218 WeakPolarHBondContact O-CD2 3.42Å; L213-F218 WeakPolarHBondContact O-CG 3.44Å; L213-F218 PolarHBondContact O-N 3.31Å; L214-F218 HydrophobicContact CD2-CD2 4.19Å; L214-F218 HydrophobicContact CD2-CE2 4.32Å; F218-L220 VanDerWaalsContact C-N 3.32Å; F218-L220 PolarHBondContact O-N 2.92Å; F218-V221 PolarHBondContact O-N 2.84Å; F218-V222 WeakPolarHBondContact O-CG2 3.45Å; F218-V222 PolarHBondContact O-N 2.94Å
219P94.3Very high92.8Very high9 Ų948 Ų486%0.05825%0.254CS..Hα-helixtrans-54.6-45.9172.4-28.737.3000112.8A119 A123 L214 F216 V221 V222 I223 F256A119-P219 HydrophobicContact CB-CB 4.03Å; A119-P219 HydrophobicContact CB-CG 3.8Å; A123-P219 HydrophobicContact CB-CB 4.49Å; L214-P219 WeakPolarHBondContact O-CD 3.39Å; L214-P219 VanDerWaalsContact O-CG 3.26Å; L214-P219 WeakPolarHBondContact O-CG 3.4Å; F216-P219 WeakPolarHBondContact O-CD 3.38Å; P219-V221 PolarHBondContact O-N 3.28Å; P219-V222 PolarHBondContact O-N 2.86Å; P219-I223 WeakPolarHBondContact O-CB 3.3Å; P219-I223 WeakPolarHBondContact O-CD1 3.04Å; P219-I223 WeakPolarHBondContact O-CG1 3.41Å; P219-I223 PolarHBondContact O-N 3.31Å; P219-F256 HydrophobicContact CB-CZ 4.28Å
220L92.9Very high92.3Very high38 Ų3843.7 Ų43.720%0.19923%0.232CC..Hα-helixtrans-61.6-44179.1-178.763.8000112F216 F217 F218 V222 I223 A224 I253 F256 V257F216-L220 HydrophobicContact CE1-CD2 4.16Å; F216-L220 HydrophobicContact CZ-CD2 4.02Å; F216-L220 WeakPolarHBondContact O-CB 3.39Å; F216-L220 PolarHBondContact O-N 2.86Å; F217-L220 PolarHBondContact O-N 3.44Å; F218-L220 VanDerWaalsContact C-N 3.32Å; F218-L220 PolarHBondContact O-N 2.92Å; L220-V222 VanDerWaalsContact C-N 3.34Å; L220-V222 PolarHBondContact O-N 3.46Å; L220-I223 PolarHBondContact O-N 2.84Å; L220-A224 WeakPolarHBondContact O-CB 3.4Å; L220-A224 PolarHBondContact O-N 2.83Å; L220-I253 HydrophobicContact CD1-CG2 4.21Å; L220-F256 HydrophobicContact CB-CE1 4.25Å; L220-F256 HydrophobicContact CD1-CD1 4.21Å; L220-V257 HydrophobicContact CD1-CG2 3.69Å; L220-V257 HydrophobicContact CD2-CG2 4.17Å
221V95.2Very high91.6Very high80 Ų8043.3 Ų43.349%0.48523%0.23SC..Hα-helixtrans-61.4-43.2176.5169.80000110.9F217 F218 P219 G225F217-V221 HydrophobicContact CD1-CG2 4.5Å; F217-V221 HydrophobicContact CE1-CG2 4.17Å; F217-V221 HydrophobicContact CE2-CG2 4.24Å; F217-V221 HydrophobicContact CZ-CG2 4.03Å; F217-V221 WeakPolarHBondContact O-CG2 3.24Å; F217-V221 PolarHBondContact O-N 3.26Å; F218-V221 PolarHBondContact O-N 2.84Å; P219-V221 PolarHBondContact O-N 3.28Å; V221-G225 WeakPolarHBondContact O-CA 3.46Å; V221-G225 PolarHBondContact O-N 2.87Å
222V94.6Very high91.1Very high50 Ų5047 Ų4730%0.30325%0.25SC..Hα-helixtrans-64.5-46.3177.21720000111.1A123 L127 F218 P219 L220 S226A123-V222 HydrophobicContact CB-CB 4.19Å; A123-V222 HydrophobicContact CB-CG1 3.87Å; L127-V222 HydrophobicContact CD1-CG1 3.69Å; L127-V222 HydrophobicContact CD2-CG1 3.99Å; L127-V222 HydrophobicContact CG-CG1 3.61Å; F218-V222 WeakPolarHBondContact O-CG2 3.45Å; F218-V222 PolarHBondContact O-N 2.94Å; P219-V222 PolarHBondContact O-N 2.86Å; L220-V222 VanDerWaalsContact C-N 3.34Å; L220-V222 PolarHBondContact O-N 3.46Å; V222-S226 WeakPolarHBondContact O-CB 3.26Å; V222-S226 PolarHBondContact O-N 2.95Å; V222-S226 PolarHBondContact O-OG 2.98Å
223I90.2Very high90.4Very high2 Ų245.4 Ų45.41%0.0125%0.247CC..Hα-helixtrans-61.7-55.2179.1-67.5163.6000109.8L122 A123 P219 L220 S226 Y227 I253L122-I223 HydrophobicContact CB-CD1 3.83Å; A123-I223 HydrophobicContact CB-CG1 4.47Å; P219-I223 WeakPolarHBondContact O-CB 3.3Å; P219-I223 WeakPolarHBondContact O-CD1 3.04Å; P219-I223 WeakPolarHBondContact O-CG1 3.41Å; P219-I223 PolarHBondContact O-N 3.31Å; L220-I223 PolarHBondContact O-N 2.84Å; I223-S226 PolarHBondContact O-N 2.96Å; I223-Y227 HydrophobicContact CG2-CD2 3.86Å; I223-Y227 HydrophobicContact CG2-CE2 3.96Å; I223-Y227 VanDerWaalsContact O-CD2 3.24Å; I223-Y227 WeakPolarHBondContact O-CD2 3.36Å; I223-Y227 PolarHBondContact O-N 3.44Å; I223-I253 HydrophobicContact CG2-CG1 3.87Å
224A89.9Confident89.5Confident26 Ų2644.5 Ų44.522%0.21524%0.242CC..Hα-helixtrans-61-49.4-178.500000111.3L220 S226 Y227 I228L220-A224 WeakPolarHBondContact O-CB 3.4Å; L220-A224 PolarHBondContact O-N 2.83Å; A224-S226 VanDerWaalsContact C-N 3.32Å; A224-S226 PolarHBondContact O-N 3.24Å; A224-Y227 PolarHBondContact O-N 2.93Å; A224-I228 WeakPolarHBondContact O-CB 3.32Å; A224-I228 WeakPolarHBondContact O-CD1 3.15Å; A224-I228 WeakPolarHBondContact O-CG1 3.43Å; A224-I228 PolarHBondContact O-N 3.44Å
225G91.6Very high88.5Confident32 Ų3251 Ų5133%0.3326%0.263SS..Hα-helixtrans-59.7-41.4178.200000112.6V221 K229V221-G225 WeakPolarHBondContact O-CA 3.46Å; V221-G225 PolarHBondContact O-N 2.87Å; G225-K229 WeakPolarHBondContact O-CB 3.37Å; G225-K229 VanDerWaalsContact O-CG 3.31Å; G225-K229 WeakPolarHBondContact O-CG 3.43Å; G225-K229 PolarHBondContact O-N 2.8Å
226S89.3Confident87.5Confident5 Ų557 Ų574%0.03530%0.295CS..Hα-helixtrans-62.1-47.9177.1-63.40000111.7L127 V222 I223 A224 K229 I230L127-S226 WeakPolarHBondContact CD2-OG 3.04Å; V222-S226 WeakPolarHBondContact O-CB 3.26Å; V222-S226 PolarHBondContact O-N 2.95Å; V222-S226 PolarHBondContact O-OG 2.98Å; I223-S226 PolarHBondContact O-N 2.96Å; A224-S226 VanDerWaalsContact C-N 3.32Å; A224-S226 PolarHBondContact O-N 3.24Å; S226-K229 PolarHBondContact O-N 3.39Å; S226-I230 VanDerWaalsContact O-CG1 3.27Å; S226-I230 WeakPolarHBondContact O-CG1 3.35Å; S226-I230 PolarHBondContact O-N 2.89Å
227Y84.8Confident86.4Confident9 Ų962.3 Ų62.34%0.03532%0.315CS..Hα-helixtrans-72.3-33.8-178.7-78.8-63.8000113.7S126 I223 A224 K229 I230 A231 F245 M248 V249 I253S126-Y227 WeakPolarHBondContact OG-CE2 3.35Å; I223-Y227 HydrophobicContact CG2-CD2 3.86Å; I223-Y227 HydrophobicContact CG2-CE2 3.96Å; I223-Y227 VanDerWaalsContact O-CD2 3.24Å; I223-Y227 WeakPolarHBondContact O-CD2 3.36Å; I223-Y227 PolarHBondContact O-N 3.44Å; A224-Y227 PolarHBondContact O-N 2.93Å; Y227-K229 VanDerWaalsContact C-N 3.35Å; Y227-I230 HydrophobicContact CD1-CD1 3.86Å; Y227-I230 HydrophobicContact CE1-CD1 4.23Å; Y227-I230 PolarHBondContact O-N 3.49Å; Y227-A231 WeakPolarHBondContact O-CB 3.27Å; Y227-A231 PolarHBondContact O-N 2.98Å; Y227-F245 HydrophobicContact CD1-CZ 4.27Å; Y227-F245 HydrophobicContact CE1-CZ 4.39Å; Y227-M248 HydrophobicContact CE1-CE 4.4Å; Y227-V249 VanDerWaalsContact CB-CG1 3.49Å; Y227-V249 HydrophobicContact CD1-CB 4.17Å; Y227-V249 HydrophobicContact CD1-CG1 3.93Å; Y227-V249 HydrophobicContact CD1-CG2 3.23Å; Y227-V249 HydrophobicContact CD2-CG1 4.15Å; Y227-V249 HydrophobicContact CE1-CG2 3.53Å; Y227-V249 HydrophobicContact CG-CB 4.34Å; Y227-V249 HydrophobicContact CG-CG1 3.62Å; Y227-V249 HydrophobicContact CG-CG2 3.86Å; Y227-I253 HydrophobicContact CD2-CD1 4.49Å
228I86.9Confident84.7Confident104 Ų10466.7 Ų66.753%0.53334%0.336SS..Hα-helixtrans-59.2-48170.2-70.4163.8000109.8A224 I230 A231 L232A224-I228 WeakPolarHBondContact O-CB 3.32Å; A224-I228 WeakPolarHBondContact O-CD1 3.15Å; A224-I228 WeakPolarHBondContact O-CG1 3.43Å; A224-I228 PolarHBondContact O-N 3.44Å; I228-I230 PolarHBondContact O-N 2.76Å; I228-A231 PolarHBondContact O-N 3.37Å; I228-L232 HydrophobicContact CG2-CD1 4.05Å; I228-L232 HydrophobicContact CG2-CG 4.49Å; I228-L232 WeakPolarHBondContact O-CG 3.48Å; I228-L232 PolarHBondContact O-N 2.9Å
229K88.2Confident82.9Confident132 Ų13264.9 Ų64.957%0.57434%0.336SS*.Hα-helixtrans-63.3-39.4177.7-72.4-72.1-174-1800112.5L130 G225 S226 Y227 L232 S233L130-K229 HydrophobicContact CD1-CB 3.64Å; G225-K229 WeakPolarHBondContact O-CB 3.37Å; G225-K229 VanDerWaalsContact O-CG 3.31Å; G225-K229 WeakPolarHBondContact O-CG 3.43Å; G225-K229 PolarHBondContact O-N 2.8Å; S226-K229 PolarHBondContact O-N 3.39Å; Y227-K229 VanDerWaalsContact C-N 3.35Å; K229-L232 PolarHBondContact O-N 2.93Å; K229-S233 VanDerWaalsContact O-CB 3.32Å; K229-S233 WeakPolarHBondContact O-CB 3.4Å; K229-S233 PolarHBondContact O-N 3.35Å
230I83.5Confident81Confident1 Ų172.5 Ų72.51%0.00538%0.376CS..Hα-helixtrans-60.8-48.1173.6-66.8164.1000110.4R129 L130 V133 S226 Y227 I228 L232 S233 L234 F245R129-I230 HydrophobicContact CB-CD1 4.07Å; L130-I230 HydrophobicContact CB-CD1 4.15Å; L130-I230 HydrophobicContact CB-CG1 4.11Å; L130-I230 HydrophobicContact CD1-CG1 3.76Å; V133-I230 HydrophobicContact CB-CG1 4.5Å; V133-I230 HydrophobicContact CB-CG2 4.43Å; V133-I230 HydrophobicContact CG1-CG2 4.26Å; V133-I230 HydrophobicContact CG2-CG2 4.08Å; S226-I230 VanDerWaalsContact O-CG1 3.27Å; S226-I230 WeakPolarHBondContact O-CG1 3.35Å; S226-I230 PolarHBondContact O-N 2.89Å; Y227-I230 HydrophobicContact CD1-CD1 3.86Å; Y227-I230 HydrophobicContact CE1-CD1 4.23Å; Y227-I230 PolarHBondContact O-N 3.49Å; I228-I230 PolarHBondContact O-N 2.76Å; I230-L232 PolarHBondContact O-N 3.48Å; I230-S233 PolarHBondContact O-N 3.5Å; I230-L234 HydrophobicContact CG2-CD1 3.71Å; I230-L234 HydrophobicContact CG2-CG 4.27Å; I230-L234 WeakPolarHBondContact O-CG 3.41Å; I230-L234 PolarHBondContact O-N 3.33Å; I230-F245 HydrophobicContact CB-CZ 4.36Å; I230-F245 HydrophobicContact CG2-CE1 3.67Å; I230-F245 HydrophobicContact CG2-CE2 4.42Å; I230-F245 HydrophobicContact CG2-CZ 3.4Å
231A80.8Confident79.1Confident30 Ų3075.3 Ų75.325%0.24839%0.386CS..Hα-helixtrans-59.3-45179.900000112Y227 I228 L234 R235 F241Y227-A231 WeakPolarHBondContact O-CB 3.27Å; Y227-A231 PolarHBondContact O-N 2.98Å; I228-A231 PolarHBondContact O-N 3.37Å; A231-L234 PolarHBondContact O-N 3.06Å; A231-R235 WeakPolarHBondContact O-CB 3.24Å; A231-R235 PolarHBondContact O-N 2.84Å; A231-F241 HydrophobicContact CB-CE2 4.35Å; A231-F241 HydrophobicContact CB-CZ 4.26Å
232L83.4Confident77.2Confident83 Ų8374.9 Ų74.944%0.43539%0.387SS..Hα-helixtrans-63.1-43.4175.5-67.6173.2000112.1I228 K229 I230 L234 R235 N236I228-L232 HydrophobicContact CG2-CD1 4.05Å; I228-L232 HydrophobicContact CG2-CG 4.49Å; I228-L232 WeakPolarHBondContact O-CG 3.48Å; I228-L232 PolarHBondContact O-N 2.9Å; K229-L232 PolarHBondContact O-N 2.93Å; I230-L232 PolarHBondContact O-N 3.48Å; L232-L234 VanDerWaalsContact C-N 3.32Å; L232-L234 PolarHBondContact O-N 3.1Å; L232-R235 PolarHBondContact O-N 3.37Å; L232-N236 VanDerWaalsContact O-CG 3.26Å; L232-N236 PolarHBondContact O-N 3.22Å; L232-N236 VanDerWaalsContact O-N 3.1Å; L232-N236 PolarHBondContact O-OD1 2.91Å
233S81Confident75.6Confident30 Ų3079 Ų7921%0.2140%0.402CS..Hα-helixtrans-66.2-32.5-179.6-170.80000113.3K229 I230 R237K229-S233 VanDerWaalsContact O-CB 3.32Å; K229-S233 WeakPolarHBondContact O-CB 3.4Å; K229-S233 PolarHBondContact O-N 3.35Å; I230-S233 PolarHBondContact O-N 3.5Å; S233-R237 WeakPolarHBondContact O-CG 3.29Å; S233-R237 PolarHBondContact O-NE 3.17Å; S233-R237 PolarHBondContact OG-NH2 3.49Å
234L76.3Confident74.2Confident38 Ų3882 Ų8220%0.19942%0.424CS..Hα-helixtrans-79.3-39.5176.9-69.2173.6000112V133 I230 A231 L232 N236 R237 F245V133-L234 HydrophobicContact CG1-CD2 4Å; V133-L234 HydrophobicContact CG1-CG 4.15Å; I230-L234 HydrophobicContact CG2-CD1 3.71Å; I230-L234 HydrophobicContact CG2-CG 4.27Å; I230-L234 WeakPolarHBondContact O-CG 3.41Å; I230-L234 PolarHBondContact O-N 3.33Å; A231-L234 PolarHBondContact O-N 3.06Å; L232-L234 VanDerWaalsContact C-N 3.32Å; L232-L234 PolarHBondContact O-N 3.1Å; L234-N236 VanDerWaalsContact C-N 3.29Å; L234-N236 PolarHBondContact O-N 2.95Å; L234-R237 PolarHBondContact O-N 2.99Å; L234-R237 VanDerWaalsContact O-N 3.11Å; L234-F245 HydrophobicContact CD1-CD1 4.34Å; L234-F245 HydrophobicContact CD1-CE1 4.19Å; L234-F245 HydrophobicContact CD1-CZ 4.49Å
235R75.3Confident73.1Confident189 Ų18983.1 Ų83.171%0.71342%0.424SS*.Hα-helixtrans-56.5-44.3173.1-179.4177.6172.7-179.1-1.9111.5A231 L232 R237 H238A231-R235 WeakPolarHBondContact O-CB 3.24Å; A231-R235 PolarHBondContact O-N 2.84Å; L232-R235 PolarHBondContact O-N 3.37Å; R235-R237 PolarHBondContact O-N 3.25Å; R235-H238 PolarHBondContact O-N 2.84Å
236N72.3Confident71.8Confident127 Ų12784 Ų8468%0.67942%0.423SS*.THydrogen-bonded Turntrans-67.3-18.1-180-69.8-2.9000113.8L232 L234L232-N236 VanDerWaalsContact O-CG 3.26Å; L232-N236 PolarHBondContact O-N 3.22Å; L232-N236 VanDerWaalsContact O-N 3.1Å; L232-N236 PolarHBondContact O-OD1 2.91Å; L234-N236 VanDerWaalsContact C-N 3.29Å; L234-N236 PolarHBondContact O-N 2.95Å
237R71.9Confident70.7Confident130 Ų13089.7 Ų89.749%0.49145%0.447SS..THydrogen-bonded Turntrans-93.99.7-179.7-74.5-170.8-112-156.6-1.2113.9V133 S233 L234 R235 S239V133-R237 PolarHBondContact O-NH2 3.21Å; S233-R237 WeakPolarHBondContact O-CG 3.29Å; S233-R237 PolarHBondContact O-NE 3.17Å; S233-R237 PolarHBondContact OG-NH2 3.49Å; L234-R237 PolarHBondContact O-N 2.99Å; L234-R237 VanDerWaalsContact O-N 3.11Å; R235-R237 PolarHBondContact O-N 3.25Å; R237-S239 PolarHBondContact O-N 3.44Å
238H61.5Low70Confident182 Ų18290 Ų9084%0.84345%0.449SS*.THydrogen-bonded Turntrans4923-175.2-73.5-98000113.6R235 L240R235-H238 PolarHBondContact O-N 2.84Å; H238-L240 PolarHBondContact O-N 2.92Å
239S57.9Low69.1Low65 Ų6585.9 Ų85.946%0.45543%0.429SS..  trans-69.1123.4171.3166.30000106.5R237 F241R237-S239 PolarHBondContact O-N 3.44Å; S239-F241 PolarHBondContact O-N 2.79Å
240L53.4Low68.2Low170 Ų17083.7 Ų83.789%0.8943%0.427SS*.  trans-49.2104.3172.3-75.1165.5000107.8H238 S242H238-L240 PolarHBondContact O-N 2.92Å; L240-S242 PolarHBondContact O-N 3.43Å
241F52.8Low67.9Low96 Ų9686.4 Ų86.442%0.42145%0.446SS..  trans-59.8102.8180-155.8-117.1000106.2A231 S239 Q243 T246A231-F241 HydrophobicContact CB-CE2 4.35Å; A231-F241 HydrophobicContact CB-CZ 4.26Å; S239-F241 PolarHBondContact O-N 2.79Å; F241-Q243 PolarHBondContact O-N 3.02Å; F241-T246 WeakPolarHBondContact CD1-OG1 3.46Å; F241-T246 HydrophobicContact CE1-CG2 4.33Å; F241-T246 WeakPolarHBondContact CE1-OG1 3.37Å; F241-T246 VanDerWaalsContact CZ-OG1 3.22Å; F241-T246 WeakPolarHBondContact CZ-OG1 3.34Å
242S56.7Low67.6Low71 Ų7185.6 Ų85.650%0.49744%0.438SS..  trans-66.6117.9173.5-179.70000105.6L240 S244 F245L240-S242 PolarHBondContact O-N 3.43Å; S242-S244 PolarHBondContact O-N 3Å; S242-S244 WeakPolarHBondContact OG-CB 3.25Å; S242-S244 PolarHBondContact OG-N 3.15Å; S242-F245 PolarHBondContact O-N 3.19Å
243Q59.6Low67.4Low136 Ų13683.7 Ų83.764%0.63643%0.427SS*.Hα-helixtrans-46.6-26.7169.7-73.3-164.4-6.200111.4F241 F245 T246 K247F241-Q243 PolarHBondContact O-N 3.02Å; Q243-F245 PolarHBondContact O-N 3.41Å; Q243-T246 PolarHBondContact O-N 3.11Å; Q243-K247 VanDerWaalsContact O-CB 3.31Å; Q243-K247 WeakPolarHBondContact O-CB 3.13Å; Q243-K247 WeakPolarHBondContact O-CD 3.08Å; Q243-K247 WeakPolarHBondContact O-CG 3.2Å; Q243-K247 PolarHBondContact O-N 3.28Å
244S62.2Low67.7Low65 Ų6584 Ų8446%0.45543%0.432SS..Hα-helixtrans-57.4-39.1173.4-1640000114S242 M248S242-S244 PolarHBondContact O-N 3Å; S242-S244 WeakPolarHBondContact OG-CB 3.25Å; S242-S244 PolarHBondContact OG-N 3.15Å; S244-M248 VanDerWaalsContact O-CB 3.26Å; S244-M248 WeakPolarHBondContact O-CB 3.4Å; S244-M248 PolarHBondContact O-N 3.48Å
245F65.5Low68.1Low50 Ų5082.6 Ų82.622%0.21943%0.426CS..Hα-helixtrans-71.3-42.8-179.4-177.4-95.5000111.2Y227 I230 L234 S242 Q243 M248 V249Y227-F245 HydrophobicContact CD1-CZ 4.27Å; Y227-F245 HydrophobicContact CE1-CZ 4.39Å; I230-F245 HydrophobicContact CB-CZ 4.36Å; I230-F245 HydrophobicContact CG2-CE1 3.67Å; I230-F245 HydrophobicContact CG2-CE2 4.42Å; I230-F245 HydrophobicContact CG2-CZ 3.4Å; L234-F245 HydrophobicContact CD1-CD1 4.34Å; L234-F245 HydrophobicContact CD1-CE1 4.19Å; L234-F245 HydrophobicContact CD1-CZ 4.49Å; S242-F245 PolarHBondContact O-N 3.19Å; Q243-F245 PolarHBondContact O-N 3.41Å; F245-M248 HydrophobicContact CD2-CE 3.45Å; F245-M248 VanDerWaalsContact CD2-CE 3.45Å; F245-M248 HydrophobicContact CE2-CE 3.32Å; F245-M248 HydrophobicContact CG-CE 4.29Å; F245-M248 HydrophobicContact CZ-CE 4.06Å; F245-M248 WeakPolarHBondContact O-CB 3.43Å; F245-M248 PolarHBondContact O-N 3.13Å; F245-V249 HydrophobicContact CD1-CG2 4.12Å; F245-V249 HydrophobicContact CE1-CG2 3.66Å; F245-V249 HydrophobicContact CE2-CG2 4.46Å; F245-V249 HydrophobicContact CZ-CG2 3.83Å; F245-V249 VanDerWaalsContact O-CG2 3.3Å; F245-V249 WeakPolarHBondContact O-CG2 3.2Å; F245-V249 PolarHBondContact O-N 3.43Å
246T63.9Low68.5Low52 Ų5273.7 Ų73.732%0.31939%0.392SS..Hα-helixtrans-66.3-43176.4-49.50000111.6F241 Q243 M248 V249 T250F241-T246 WeakPolarHBondContact CD1-OG1 3.46Å; F241-T246 HydrophobicContact CE1-CG2 4.33Å; F241-T246 WeakPolarHBondContact CE1-OG1 3.37Å; F241-T246 VanDerWaalsContact CZ-OG1 3.22Å; F241-T246 WeakPolarHBondContact CZ-OG1 3.34Å; Q243-T246 PolarHBondContact O-N 3.11Å; T246-M248 VanDerWaalsContact C-N 3.31Å; T246-M248 PolarHBondContact O-N 3.01Å; T246-V249 PolarHBondContact O-N 3.13Å; T246-T250 WeakPolarHBondContact O-CB 3.31Å; T246-T250 PolarHBondContact O-N 3.2Å; T246-T250 PolarHBondContact O-OG1 3.41Å
247K67.9Low69.4Low124 Ų12470 Ų7054%0.53937%0.374SS..Hα-helixtrans-56.6-47.3173.7-75.5170.5178.8173.70110.7Q243 V249 T250 S251Q243-K247 VanDerWaalsContact O-CB 3.31Å; Q243-K247 WeakPolarHBondContact O-CB 3.13Å; Q243-K247 WeakPolarHBondContact O-CD 3.08Å; Q243-K247 WeakPolarHBondContact O-CG 3.2Å; Q243-K247 PolarHBondContact O-N 3.28Å; K247-V249 PolarHBondContact O-N 3.46Å; K247-T250 PolarHBondContact O-N 3.13Å; K247-S251 WeakPolarHBondContact O-CB 3.48Å; K247-S251 PolarHBondContact O-N 3.09Å; K247-S251 PolarHBondContact O-OG 3.01Å
248M69.8Low70.3Confident15 Ų1569.3 Ų69.37%0.07438%0.38CS..Hα-helixtrans-55.9-52.1175176.7-166.277.100112.8Y227 S244 F245 T246 S251 V252 S308Y227-M248 HydrophobicContact CE1-CE 4.4Å; S244-M248 VanDerWaalsContact O-CB 3.26Å; S244-M248 WeakPolarHBondContact O-CB 3.4Å; S244-M248 PolarHBondContact O-N 3.48Å; F245-M248 HydrophobicContact CD2-CE 3.45Å; F245-M248 VanDerWaalsContact CD2-CE 3.45Å; F245-M248 HydrophobicContact CE2-CE 3.32Å; F245-M248 HydrophobicContact CG-CE 4.29Å; F245-M248 HydrophobicContact CZ-CE 4.06Å; F245-M248 WeakPolarHBondContact O-CB 3.43Å; F245-M248 PolarHBondContact O-N 3.13Å; T246-M248 VanDerWaalsContact C-N 3.31Å; T246-M248 PolarHBondContact O-N 3.01Å; M248-S251 PolarHBondContact O-N 2.78Å; M248-V252 WeakPolarHBondContact O-CG2 3.41Å; M248-V252 PolarHBondContact O-N 3.08Å; M248-V252 VanDerWaalsContact O-N 3.08Å; M248-S308 WeakPolarHBondContact CG-OG 3.29Å; M248-S308 WeakPolarHBondContact SD-CB 3.48Å
249V66.4Low71.7Confident18 Ų1860.9 Ų60.911%0.10934%0.341CS..Hα-helixtrans-59.7-48.4-179.5168.10000111.4Y227 F245 T246 K247 S251 V252 I253Y227-V249 VanDerWaalsContact CB-CG1 3.49Å; Y227-V249 HydrophobicContact CD1-CB 4.17Å; Y227-V249 HydrophobicContact CD1-CG1 3.93Å; Y227-V249 HydrophobicContact CD1-CG2 3.23Å; Y227-V249 HydrophobicContact CD2-CG1 4.15Å; Y227-V249 HydrophobicContact CE1-CG2 3.53Å; Y227-V249 HydrophobicContact CG-CB 4.34Å; Y227-V249 HydrophobicContact CG-CG1 3.62Å; Y227-V249 HydrophobicContact CG-CG2 3.86Å; F245-V249 HydrophobicContact CD1-CG2 4.12Å; F245-V249 HydrophobicContact CE1-CG2 3.66Å; F245-V249 HydrophobicContact CE2-CG2 4.46Å; F245-V249 HydrophobicContact CZ-CG2 3.83Å; F245-V249 VanDerWaalsContact O-CG2 3.3Å; F245-V249 WeakPolarHBondContact O-CG2 3.2Å; F245-V249 PolarHBondContact O-N 3.43Å; T246-V249 PolarHBondContact O-N 3.13Å; K247-V249 PolarHBondContact O-N 3.46Å; V249-S251 VanDerWaalsContact C-N 3.31Å; V249-S251 PolarHBondContact O-N 3.24Å; V249-V252 PolarHBondContact O-N 3.28Å; V249-I253 HydrophobicContact CG1-CD1 3.82Å; V249-I253 WeakPolarHBondContact O-CG1 3.18Å; V249-I253 PolarHBondContact O-N 3.21Å; V249-I253 VanDerWaalsContact O-N 3.1Å
250T71.1Confident73.5Confident86 Ų8657.9 Ų57.953%0.52832%0.319SS..Hα-helixtrans-61.9-40.3178.6-580000110.8T246 K247 A254T246-T250 WeakPolarHBondContact O-CB 3.31Å; T246-T250 PolarHBondContact O-N 3.2Å; T246-T250 PolarHBondContact O-OG1 3.41Å; K247-T250 PolarHBondContact O-N 3.13Å; T250-A254 WeakPolarHBondContact O-CB 3.04Å; T250-A254 PolarHBondContact O-N 2.97Å
251S75.4Confident75.4Confident58 Ų5850.6 Ų50.641%0.40628%0.284SS..Hα-helixtrans-63.3-42.3177.6-680000113.2K247 M248 V249 A255K247-S251 WeakPolarHBondContact O-CB 3.48Å; K247-S251 PolarHBondContact O-N 3.09Å; K247-S251 PolarHBondContact O-OG 3.01Å; M248-S251 PolarHBondContact O-N 2.78Å; V249-S251 VanDerWaalsContact C-N 3.31Å; V249-S251 PolarHBondContact O-N 3.24Å; S251-A255 WeakPolarHBondContact O-CB 3.34Å; S251-A255 PolarHBondContact O-N 3.36Å
252V74.5Confident77.5Confident13 Ų1347.8 Ų47.88%0.07928%0.275CS..Hα-helixtrans-67.4-45.3178.7173.70000111.3M248 V249 A255 F256M248-V252 WeakPolarHBondContact O-CG2 3.41Å; M248-V252 PolarHBondContact O-N 3.08Å; M248-V252 VanDerWaalsContact O-N 3.08Å; V249-V252 PolarHBondContact O-N 3.28Å; V252-A255 PolarHBondContact O-N 3.07Å; V252-F256 PolarHBondContact O-N 3.36Å; V252-F256 VanDerWaalsContact O-N 3.11Å
253I80.9Confident79.3Confident42 Ų4245 Ų4522%0.21525%0.254CS..Hα-helixtrans-64.4-44.6177.3-65.3166.8000110.3L220 I223 Y227 V249 A255 F256 V257L220-I253 HydrophobicContact CD1-CG2 4.21Å; I223-I253 HydrophobicContact CG2-CG1 3.87Å; Y227-I253 HydrophobicContact CD2-CD1 4.49Å; V249-I253 HydrophobicContact CG1-CD1 3.82Å; V249-I253 WeakPolarHBondContact O-CG1 3.18Å; V249-I253 PolarHBondContact O-N 3.21Å; V249-I253 VanDerWaalsContact O-N 3.1Å; I253-A255 PolarHBondContact O-N 3.45Å; I253-F256 PolarHBondContact O-N 2.92Å; I253-V257 HydrophobicContact CG2-CG2 4.3Å; I253-V257 WeakPolarHBondContact O-CG2 3.42Å; I253-V257 PolarHBondContact O-N 2.78Å
254A85.7Confident81Confident36 Ų3638.6 Ų38.630%0.29822%0.224SC..Hα-helixtrans-60.9-46178.800000111.3T250 F256 V257 L258T250-A254 WeakPolarHBondContact O-CB 3.04Å; T250-A254 PolarHBondContact O-N 2.97Å; A254-F256 PolarHBondContact O-N 3.49Å; A254-V257 PolarHBondContact O-N 2.83Å; A254-L258 HydrophobicContact CB-CD1 4.36Å; A254-L258 WeakPolarHBondContact O-CB 3Å; A254-L258 WeakPolarHBondContact O-CG 3.32Å; A254-L258 PolarHBondContact O-N 3.33Å
255A84.9Confident82.6Confident9 Ų940.3 Ų40.37%0.07423%0.227CC..Hα-helixtrans-62.9-42178.800000112.6S251 V252 I253 C259 L304S251-A255 WeakPolarHBondContact O-CB 3.34Å; S251-A255 PolarHBondContact O-N 3.36Å; V252-A255 PolarHBondContact O-N 3.07Å; I253-A255 PolarHBondContact O-N 3.45Å; A255-C259 VanDerWaalsContact O-CB 3.29Å; A255-C259 WeakPolarHBondContact O-CB 3.3Å; A255-C259 PolarHBondContact O-N 3.43Å; A255-C259 VanDerWaalsContact O-N 3.07Å; A255-C259 PolarHBondContact O-SG 3.43Å; A255-L304 HydrophobicContact CB-CD1 3.25Å; A255-L304 HydrophobicContact CB-CD2 4.25Å; A255-L304 HydrophobicContact CB-CG 4.35Å
256F84.8Confident84Confident3 Ų339.7 Ų39.71%0.01322%0.224CC..Hα-helixtrans-61.8-47.5176-174.2-98.9000111.4A119 L122 F216 P219 L220 V252 I253 A254 W260A119-F256 HydrophobicContact CB-CE2 4.3Å; A119-F256 HydrophobicContact CB-CZ 4.31Å; L122-F256 HydrophobicContact CD1-CD2 3.5Å; L122-F256 VanDerWaalsContact CD1-CD2 3.5Å; L122-F256 HydrophobicContact CD1-CE2 3.88Å; F216-F256 HydrophobicContact CD2-CD1 4.27Å; F216-F256 AromaticContact CD2-CE1 3.57Å; F216-F256 HydrophobicContact CD2-CE1 3.57Å; F216-F256 HydrophobicContact CD2-CZ 4.16Å; F216-F256 HydrophobicContact CE2-CD1 4.19Å; F216-F256 AromaticContact CE2-CE1 3.93Å; F216-F256 HydrophobicContact CE2-CE1 3.93Å; F216-F256 HydrophobicContact CG-CE1 4.43Å; P219-F256 HydrophobicContact CB-CZ 4.28Å; L220-F256 HydrophobicContact CB-CE1 4.25Å; L220-F256 HydrophobicContact CD1-CD1 4.21Å; V252-F256 PolarHBondContact O-N 3.36Å; V252-F256 VanDerWaalsContact O-N 3.11Å; I253-F256 PolarHBondContact O-N 2.92Å; A254-F256 PolarHBondContact O-N 3.49Å; F256-W260 AromaticContact CD2-CD1 3.58Å; F256-W260 AromaticContact CE2-CD1 3.64Å; F256-W260 HydrophobicContact CE2-CG 4.36Å; F256-W260 AromaticContact CE2-NE1 3.98Å; F256-W260 WeakPolarHBondContact O-CB 3.14Å; F256-W260 PolarHBondContact O-N 2.96Å
257V89.7Confident85.4Confident48 Ų4837.3 Ų37.329%0.29121%0.21SC..Hα-helixtrans-66.6-47.7179.8172.80000111.7L220 I253 A254 C259 A261L220-V257 HydrophobicContact CD1-CG2 3.69Å; L220-V257 HydrophobicContact CD2-CG2 4.17Å; I253-V257 HydrophobicContact CG2-CG2 4.3Å; I253-V257 WeakPolarHBondContact O-CG2 3.42Å; I253-V257 PolarHBondContact O-N 2.78Å; A254-V257 PolarHBondContact O-N 2.83Å; V257-C259 VanDerWaalsContact C-N 3.29Å; V257-C259 PolarHBondContact O-N 2.91Å; V257-A261 HydrophobicContact CG1-CB 4.03Å; V257-A261 WeakPolarHBondContact O-CA 2.74Å; V257-A261 WeakPolarHBondContact O-CB 3.45Å; V257-A261 PolarHBondContact O-N 2.91Å
258L91.6Very high86.6Confident117 Ų11734.9 Ų34.961%0.61320%0.202SC*.Hα-helixtrans-65.3-32.8-176.8-69.9172.5000112.4A254 P262A254-L258 HydrophobicContact CB-CD1 4.36Å; A254-L258 WeakPolarHBondContact O-CB 3Å; A254-L258 WeakPolarHBondContact O-CG 3.32Å; A254-L258 PolarHBondContact O-N 3.33Å; L258-P262 WeakPolarHBondContact O-CD 3.29Å; L258-P262 WeakPolarHBondContact O-CG 3.24Å
259C92Very high87.8Confident4 Ų436.8 Ų36.83%0.02721%0.212CC..Hα-helixtrans-80.7-46.1176.9-68.40000112.7A255 V257 F293 A294 N297A255-C259 VanDerWaalsContact O-CB 3.29Å; A255-C259 WeakPolarHBondContact O-CB 3.3Å; A255-C259 PolarHBondContact O-N 3.43Å; A255-C259 VanDerWaalsContact O-N 3.07Å; A255-C259 PolarHBondContact O-SG 3.43Å; V257-C259 VanDerWaalsContact C-N 3.29Å; V257-C259 PolarHBondContact O-N 2.91Å; C259-F293 WeakPolarHBondContact CA-O 3.47Å; C259-F293 VanDerWaalsContact CB-O 3.24Å; C259-F293 WeakPolarHBondContact CB-O 3.14Å; C259-F293 CarbonylContact O-C 3.36Å; C259-F293 PolarHBondContact SG-O 2.83Å; C259-F293 VanDerWaalsContact SG-O 3.41Å; C259-A294 VanDerWaalsContact O-CA 3.27Å; C259-A294 WeakPolarHBondContact O-CA 3.25Å; C259-A294 PolarHBondContact O-N 3.33Å; C259-A294 VanDerWaalsContact O-N 3.13Å; C259-N297 HydrophobicContact CB-CB 3.68Å
260W93.9Very high88.9Confident2 Ų236.6 Ų36.61%0.00821%0.21CC..Hα-helixtrans-94.4-32.7-169.6-68.5103.3000114.3F111 M115 F216 F256 Y263 H264 A294 N297F111-W260 HydrophobicContact CZ-CZ3 4.28Å; M115-W260 VanDerWaalsContact CA-CH2 3.47Å; M115-W260 HydrophobicContact CB-CH2 3.35Å; M115-W260 HydrophobicContact CB-CZ2 4.22Å; M115-W260 HydrophobicContact CB-CZ3 3.52Å; M115-W260 HydrophobicContact CG-CE3 3.84Å; M115-W260 HydrophobicContact CG-CH2 3.59Å; M115-W260 HydrophobicContact CG-CZ2 4.36Å; M115-W260 HydrophobicContact CG-CZ3 3.27Å; M115-W260 HydrophobicContact SD-CE3 4.24Å; M115-W260 HydrophobicContact SD-CZ3 3.78Å; F216-W260 HydrophobicContact CD2-CB 3.7Å; F216-W260 HydrophobicContact CE2-CB 3.97Å; F256-W260 AromaticContact CD2-CD1 3.58Å; F256-W260 AromaticContact CE2-CD1 3.64Å; F256-W260 HydrophobicContact CE2-CG 4.36Å; F256-W260 AromaticContact CE2-NE1 3.98Å; F256-W260 WeakPolarHBondContact O-CB 3.14Å; F256-W260 PolarHBondContact O-N 2.96Å; W260-Y263 PolarHBondContact O-N 3.02Å; W260-H264 PolarHBondContact O-CD2 3.01Å; W260-H264 PolarHBondContact O-N 3.06Å; W260-H264 VanDerWaalsContact O-N 3.09Å; W260-A294 HydrophobicContact CD2-CB 4.36Å; W260-A294 HydrophobicContact CE3-CB 3.86Å; W260-A294 HydrophobicContact CH2-CB 4.29Å; W260-A294 HydrophobicContact CZ3-CB 3.8Å; W260-N297 HydrophobicContact CZ2-CB 4.41Å; W260-N297 VanDerWaalsContact NE1-CG 3.26Å; W260-N297 PolarHBondContact NE1-OD1 2.88Å
261A94.8Very high89.8Confident17 Ų1734.5 Ų34.514%0.1420%0.195CC..Hα-helixtrans-60.4-44.2-175.900000113F216 V257 Y263 H264 I265F216-A261 HydrophobicContact CE1-CB 4.44Å; F216-A261 HydrophobicContact CE2-CB 3.99Å; F216-A261 HydrophobicContact CZ-CB 3.6Å; V257-A261 HydrophobicContact CG1-CB 4.03Å; V257-A261 WeakPolarHBondContact O-CA 2.74Å; V257-A261 WeakPolarHBondContact O-CB 3.45Å; V257-A261 PolarHBondContact O-N 2.91Å; A261-Y263 VanDerWaalsContact C-N 3.28Å; A261-Y263 PolarHBondContact O-N 3.28Å; A261-H264 PolarHBondContact O-N 3.4Å; A261-I265 WeakPolarHBondContact O-CB 3.47Å; A261-I265 WeakPolarHBondContact O-CD1 3.31Å; A261-I265 VanDerWaalsContact O-CG1 3.23Å; A261-I265 WeakPolarHBondContact O-CG1 3.48Å; A261-I265 PolarHBondContact O-N 3.08Å
262P95.8Very high90.5Very high37 Ų3733.5 Ų33.524%0.2419%0.19CC..Hα-helixtrans-55.7-46.2176.7-2535.3000111.5L258 H264 I265 F266L258-P262 WeakPolarHBondContact O-CD 3.29Å; L258-P262 WeakPolarHBondContact O-CG 3.24Å; P262-H264 PolarHBondContact O-N 2.03Å; P262-I265 PolarHBondContact O-N 3.02Å; P262-F266 VanDerWaalsContact O-CD2 3.27Å; P262-F266 WeakPolarHBondContact O-CD2 3.47Å; P262-F266 PolarHBondContact O-N 3.08Å
263Y95.6Very high91.1Very high13 Ų1332.9 Ų32.95%0.05119%0.186CC..Hα-helixtrans-60.2-48.3-179.2176.2-104.5000111.5F111 F112 M115 K211 W260 A261 I265 F266 C267 L287 A291 A294F111-Y263 HydrophobicContact CE1-CE1 4.04Å; F111-Y263 HydrophobicContact CE1-CE2 4.04Å; F111-Y263 AromaticContact CE1-CZ 3.65Å; F111-Y263 HydrophobicContact CZ-CD1 4.49Å; F111-Y263 HydrophobicContact CZ-CD2 4.33Å; F111-Y263 HydrophobicContact CZ-CE1 4.2Å; F111-Y263 HydrophobicContact CZ-CE2 4.02Å; F111-Y263 AromaticContact CZ-CZ 3.97Å; F112-Y263 HydrophobicContact CE1-CE1 4.41Å; F112-Y263 WeakPolarHBondContact CE1-OH 3.26Å; F112-Y263 WeakPolarHBondContact CZ-OH 3.13Å; M115-Y263 HydrophobicContact SD-CE1 4.27Å; K211-Y263 HydrophobicContact CD-CE1 4.47Å; K211-Y263 PolarHBondContact NZ-OH 2.93Å; W260-Y263 PolarHBondContact O-N 3.02Å; A261-Y263 VanDerWaalsContact C-N 3.28Å; A261-Y263 PolarHBondContact O-N 3.28Å; Y263-I265 PolarHBondContact O-N 3.45Å; Y263-F266 PolarHBondContact O-N 3.17Å; Y263-C267 VanDerWaalsContact CE1-SG 3.6Å; Y263-C267 PolarHBondContact O-N 3.33Å; Y263-C267 PolarHBondContact O-SG 2.91Å; Y263-L287 HydrophobicContact CD2-CD1 4.25Å; Y263-L287 HydrophobicContact CE2-CD1 4.09Å; Y263-A291 HydrophobicContact CD2-CB 4.13Å; Y263-A291 HydrophobicContact CE2-CB 4.34Å; Y263-A294 HydrophobicContact CG-CB 4.45Å
264H95.5Very high91.3Very high2 Ų232.6 Ų32.61%0.00918%0.184CC..Hα-helixtrans-65.3-38.7179-71.5-65.8000112.9F212 F216 W260 A261 P262 F266 C267 I268F212-H264 HydrophobicContact CD2-CB 3.94Å; F216-H264 VanDerWaalsContact CB-CD2 3.42Å; F216-H264 WeakPolarHBondContact CB-CD2 3.49Å; F216-H264 WeakPolarHBondContact CB-NE2 3.44Å; F216-H264 AromaticContact CD2-CD2 3.77Å; F216-H264 AromaticContact CG-CD2 3.58Å; W260-H264 PolarHBondContact O-CD2 3.01Å; W260-H264 PolarHBondContact O-N 3.06Å; W260-H264 VanDerWaalsContact O-N 3.09Å; A261-H264 PolarHBondContact O-N 3.4Å; P262-H264 PolarHBondContact O-N 2.03Å; H264-F266 VanDerWaalsContact C-N 3.34Å; H264-F266 PolarHBondContact O-N 2.93Å; H264-C267 PolarHBondContact O-N 3.4Å; H264-I268 WeakPolarHBondContact O-CG1 3.24Å; H264-I268 PolarHBondContact O-N 3.32Å
265I95.3Very high91.4Very high100 Ų10038.5 Ų38.551%0.51320%0.199SC..Hα-helixtrans-58.5-48.2175.1-69.8163.9000110.1A261 P262 Y263 C267 I268 L269A261-I265 WeakPolarHBondContact O-CB 3.47Å; A261-I265 WeakPolarHBondContact O-CD1 3.31Å; A261-I265 VanDerWaalsContact O-CG1 3.23Å; A261-I265 WeakPolarHBondContact O-CG1 3.48Å; A261-I265 PolarHBondContact O-N 3.08Å; P262-I265 PolarHBondContact O-N 3.02Å; Y263-I265 PolarHBondContact O-N 3.45Å; I265-C267 VanDerWaalsContact C-N 3.33Å; I265-C267 PolarHBondContact O-N 3.48Å; I265-I268 PolarHBondContact O-N 2.98Å; I265-L269 HydrophobicContact CG2-CD1 4.02Å; I265-L269 HydrophobicContact CG2-CG 4.4Å; I265-L269 WeakPolarHBondContact O-CG 3.28Å; I265-L269 PolarHBondContact O-N 3.24Å
266F95.1Very high91.6Very high38 Ų3841.2 Ų41.217%0.16721%0.213CC..Hα-helixtrans-65.9-34.2178.6-84-76000113.2P262 Y263 H264 I268 L269 E270 L282 V283 L287 S290P262-F266 VanDerWaalsContact O-CD2 3.27Å; P262-F266 WeakPolarHBondContact O-CD2 3.47Å; P262-F266 PolarHBondContact O-N 3.08Å; Y263-F266 PolarHBondContact O-N 3.17Å; H264-F266 VanDerWaalsContact C-N 3.34Å; H264-F266 PolarHBondContact O-N 2.93Å; F266-I268 VanDerWaalsContact C-N 3.31Å; F266-I268 PolarHBondContact O-N 3.41Å; F266-L269 HydrophobicContact CD1-CD1 4.24Å; F266-L269 HydrophobicContact CE1-CD1 4.38Å; F266-L269 PolarHBondContact O-N 3.47Å; F266-E270 WeakPolarHBondContact O-CB 3.42Å; F266-E270 PolarHBondContact O-N 2.87Å; F266-L282 HydrophobicContact CE1-CG 4.12Å; F266-V283 HydrophobicContact CD1-CG2 4.37Å; F266-L287 HydrophobicContact CB-CB 4.35Å; F266-L287 HydrophobicContact CB-CD1 3.71Å; F266-S290 WeakPolarHBondContact CD2-OG 3.24Å
267C93.3Very high91.7Very high1 Ų149 Ų491%0.00725%0.247CC..Hα-helixtrans-65-34.2173.3-65.60000112.8K211 Y263 H264 I265 E270K211-C267 VanDerWaalsContact CE-CB 3.41Å; K211-C267 WeakPolarHBondContact CE-SG 3.4Å; K211-C267 PolarHBondContact NZ-SG 2.89Å; Y263-C267 VanDerWaalsContact CE1-SG 3.6Å; Y263-C267 PolarHBondContact O-N 3.33Å; Y263-C267 PolarHBondContact O-SG 2.91Å; H264-C267 PolarHBondContact O-N 3.4Å; I265-C267 VanDerWaalsContact C-N 3.33Å; I265-C267 PolarHBondContact O-N 3.48Å; C267-E270 WeakPolarHBondContact O-CB 3.19Å
268I93.3Very high91.6Very high73 Ų7355 Ų5537%0.37427%0.269SS..Hα-helixtrans-74.9-39.9174-62.3-60.4000110.6A208 H264 I265 F266 E270 M271A208-I268 HydrophobicContact CB-CD1 4.38Å; H264-I268 WeakPolarHBondContact O-CG1 3.24Å; H264-I268 PolarHBondContact O-N 3.32Å; I265-I268 PolarHBondContact O-N 2.98Å; F266-I268 VanDerWaalsContact C-N 3.31Å; F266-I268 PolarHBondContact O-N 3.41Å; I268-E270 PolarHBondContact O-N 3.34Å; I268-M271 VanDerWaalsContact O-CB 3.29Å; I268-M271 WeakPolarHBondContact O-CB 3.29Å; I268-M271 PolarHBondContact O-N 3.18Å
269L93.3Very high91.6Very high55 Ų5551.3 Ų51.329%0.28825%0.249SC..Hα-helixtrans-62.6-32.5174.9-71.3174.3000112.6I265 F266 M271 A272 A273 I279 V283I265-L269 HydrophobicContact CG2-CD1 4.02Å; I265-L269 HydrophobicContact CG2-CG 4.4Å; I265-L269 WeakPolarHBondContact O-CG 3.28Å; I265-L269 PolarHBondContact O-N 3.24Å; F266-L269 HydrophobicContact CD1-CD1 4.24Å; F266-L269 HydrophobicContact CE1-CD1 4.38Å; F266-L269 PolarHBondContact O-N 3.47Å; L269-M271 PolarHBondContact O-N 2.92Å; L269-A272 PolarHBondContact O-N 3.33Å; L269-A273 PolarHBondContact O-N 3.49Å; L269-A273 VanDerWaalsContact O-N 3.13Å; L269-I279 HydrophobicContact CB-CG2 4.31Å; L269-I279 WeakPolarHBondContact O-CG2 3.4Å; L269-V283 HydrophobicContact CB-CG2 3.89Å
270E91.1Very high91.5Very high14 Ų1451.5 Ų51.57%0.06525%0.25CC..Hα-helixtrans-56.6-34.4175.2-171.2-174.7-167.700112.3L14 Y183 Q204 F266 C267 I268 A272 A273 V283L14-E270 HydrophobicContact CD2-CG 3.72Å; Y183-E270 VanDerWaalsContact CE1-OE1 3.25Å; Y183-E270 WeakPolarHBondContact CE1-OE1 3.26Å; Y183-E270 VanDerWaalsContact CZ-OE1 3.25Å; Y183-E270 VanDerWaalsContact OH-CD 3.23Å; Y183-E270 PolarHBondContact OH-OE1 2.03Å; Q204-E270 PolarHBondContact NE2-O 2.89Å; F266-E270 WeakPolarHBondContact O-CB 3.42Å; F266-E270 PolarHBondContact O-N 2.87Å; C267-E270 WeakPolarHBondContact O-CB 3.19Å; I268-E270 PolarHBondContact O-N 3.34Å; E270-A272 PolarHBondContact O-N 2.92Å; E270-A273 VanDerWaalsContact O-CB 3.26Å; E270-A273 WeakPolarHBondContact O-CB 3.36Å; E270-A273 PolarHBondContact O-N 3.23Å; E270-A273 VanDerWaalsContact O-N 3.13Å; E270-V283 HydrophobicContact CB-CG1 4.07Å; E270-V283 HydrophobicContact CG-CG1 4.17Å
271M89.9Confident91.2Very high43 Ų4357.6 Ų57.621%0.21228%0.276CS..Hα-helixtrans-60.4-35.2174.9-65.1-63.2-55.800112.7Q204 G205 A208 I268 L269 Q274Q204-M271 HydrophobicContact CB-CE 4.37Å; Q204-M271 HydrophobicContact CB-SD 3.87Å; Q204-M271 HydrophobicContact CG-SD 3.47Å; Q204-M271 WeakPolarHBondContact CG-SD 3.42Å; G205-M271 VanDerWaalsContact CA-SD 3.51Å; G205-M271 VanDerWaalsContact N-CE 3.35Å; G205-M271 PolarHBondContact N-SD 2.87Å; G205-M271 VanDerWaalsContact N-SD 3.41Å; A208-M271 HydrophobicContact CB-CG 4.16Å; A208-M271 HydrophobicContact CB-SD 4.12Å; I268-M271 VanDerWaalsContact O-CB 3.29Å; I268-M271 WeakPolarHBondContact O-CB 3.29Å; I268-M271 PolarHBondContact O-N 3.18Å; L269-M271 PolarHBondContact O-N 2.92Å; M271-Q274 PolarHBondContact O-NE2 3.48Å; M271-Q274 VanDerWaalsContact O-NE2 3.1Å
272A89.1Confident90.9Very high36 Ų3661.3 Ų61.330%0.29829%0.293SS..Hα-helixtrans-86.7-11.8179.400000112.9L269 E270 Q274 Y275 N276 I279L269-A272 PolarHBondContact O-N 3.33Å; E270-A272 PolarHBondContact O-N 2.92Å; A272-Q274 VanDerWaalsContact C-N 3.28Å; A272-Q274 PolarHBondContact O-N 2.87Å; A272-Y275 PolarHBondContact O-N 2.94Å; A272-N276 PolarHBondContact O-N 2.87Å; A272-I279 HydrophobicContact CB-CD1 4.02Å; A272-I279 HydrophobicContact CB-CG2 4.45Å
273A88.4Confident90.7Very high1 Ų160 Ų601%0.00829%0.285CS..Hα-helixtrans-63.5-33.5-175.300000112.8L14 L269 E270 Y275 N276 I279 F280 V283L14-A273 HydrophobicContact CD1-CB 3.8Å; L269-A273 PolarHBondContact O-N 3.49Å; L269-A273 VanDerWaalsContact O-N 3.13Å; E270-A273 VanDerWaalsContact O-CB 3.26Å; E270-A273 WeakPolarHBondContact O-CB 3.36Å; E270-A273 PolarHBondContact O-N 3.23Å; E270-A273 VanDerWaalsContact O-N 3.13Å; A273-Y275 PolarHBondContact O-N 2.89Å; A273-N276 PolarHBondContact O-N 3.24Å; A273-I279 HydrophobicContact CB-CG2 4.25Å; A273-F280 HydrophobicContact CB-CB 4.25Å; A273-F280 HydrophobicContact CB-CD2 4.44Å; A273-V283 HydrophobicContact CB-CG2 4.44Å
274Q83.5Confident90.2Very high35 Ų3561.7 Ų61.716%0.16429%0.293CS..THydrogen-bonded Turntrans-63.1-27.8178.869.8-173.7-57.300113.2L14 N201 M271 A272L14-Q274 HydrophobicContact CB-CB 4.37Å; N201-Q274 VanDerWaalsContact OD1-CD 3.31Å; N201-Q274 PolarHBondContact OD1-NE2 3.41Å; N201-Q274 PolarHBondContact OD1-OE1 3.37Å; M271-Q274 PolarHBondContact O-NE2 3.48Å; M271-Q274 VanDerWaalsContact O-NE2 3.1Å; A272-Q274 VanDerWaalsContact C-N 3.28Å; A272-Q274 PolarHBondContact O-N 2.87Å
275Y87.6Confident89.6Confident160 Ų16065.5 Ų65.563%0.62732%0.316SS*.THydrogen-bonded Turntrans-96.8-12.9-177.7-54.7-68.8000112.9N201 A272 A273N201-Y275 PolarHBondContact ND2-OH 3.37Å; A272-Y275 PolarHBondContact O-N 2.94Å; A273-Y275 PolarHBondContact O-N 2.89Å
276N89.7Confident89.3Confident67 Ų6761.2 Ų61.236%0.35830%0.296SS..  trans-142.2108.3-172.3-171.3-29.7000112.4A272 A273 K278 I279 F280A272-N276 PolarHBondContact O-N 2.87Å; A273-N276 PolarHBondContact O-N 3.24Å; N276-K278 PolarHBondContact O-N 3.46Å; N276-K278 VanDerWaalsContact O-N 3.13Å; N276-K278 WeakPolarHBondContact OD1-CB 3.34Å; N276-K278 PolarHBondContact OD1-N 2.56Å; N276-I279 HydrophobicContact CB-CB 4.13Å; N276-I279 HydrophobicContact CB-CD1 3.92Å; N276-I279 HydrophobicContact CB-CG1 3.97Å; N276-I279 PolarHBondContact O-N 2.78Å; N276-I279 PolarHBondContact OD1-N 2.89Å; N276-F280 PolarHBondContact O-N 2.92Å
277K86.4Confident89Confident166 Ų16660.4 Ų60.472%0.72229%0.294SS*.Hα-helixtrans-56.5-30179.2-65.7-172179.4-175.30114.2K281K277-K281 WeakPolarHBondContact O-CG 3.46Å; K277-K281 PolarHBondContact O-N 3Å; K277-K281 VanDerWaalsContact O-N 3.17Å
278K89.4Confident88.6Confident175 Ų17561.9 Ų61.976%0.76130%0.303SS*.Hα-helixtrans-70.7-42.9176.4-63.6-177.6-179178.30110.9N276 F280 K281 L282N276-K278 PolarHBondContact O-N 3.46Å; N276-K278 VanDerWaalsContact O-N 3.13Å; N276-K278 WeakPolarHBondContact OD1-CB 3.34Å; N276-K278 PolarHBondContact OD1-N 2.56Å; K278-F280 VanDerWaalsContact C-N 3.35Å; K278-K281 PolarHBondContact O-N 3.28Å; K278-L282 WeakPolarHBondContact O-CB 3.4Å; K278-L282 PolarHBondContact O-N 3.27Å; K278-L282 VanDerWaalsContact O-N 3.1Å
279I90.3Very high88.3Confident39 Ų3962 Ų6220%0.231%0.307CS..Hα-helixtrans-65.5-41.9176-61.8-179.6000109.9L269 A272 A273 N276 K281 L282 V283L269-I279 HydrophobicContact CB-CG2 4.31Å; L269-I279 WeakPolarHBondContact O-CG2 3.4Å; A272-I279 HydrophobicContact CB-CD1 4.02Å; A272-I279 HydrophobicContact CB-CG2 4.45Å; A273-I279 HydrophobicContact CB-CG2 4.25Å; N276-I279 HydrophobicContact CB-CB 4.13Å; N276-I279 HydrophobicContact CB-CD1 3.92Å; N276-I279 HydrophobicContact CB-CG1 3.97Å; N276-I279 PolarHBondContact O-N 2.78Å; N276-I279 PolarHBondContact OD1-N 2.89Å; I279-K281 PolarHBondContact O-N 2.96Å; I279-L282 WeakPolarHBondContact O-CB 3.49Å; I279-L282 PolarHBondContact O-N 3.29Å; I279-L282 VanDerWaalsContact O-N 3.17Å; I279-V283 HydrophobicContact CG2-CG2 4.05Å; I279-V283 WeakPolarHBondContact O-CB 3.11Å; I279-V283 VanDerWaalsContact O-CG2 3.31Å; I279-V283 WeakPolarHBondContact O-CG2 3.27Å; I279-V283 PolarHBondContact O-N 2.92Å
280F89.4Confident88.2Confident7 Ų759.4 Ų59.43%0.03129%0.294CS..Hα-helixtrans-53.4-53174.5177-97.7000113L14 Q17 M18 D21 A273 N276 K278 L282 V283 Q284L14-F280 HydrophobicContact CD1-CD2 3.67Å; L14-F280 HydrophobicContact CD1-CE2 3.91Å; Q17-F280 HydrophobicContact CB-CE2 4.07Å; Q17-F280 HydrophobicContact CB-CZ 4.23Å; Q17-F280 HydrophobicContact CG-CD2 4.35Å; Q17-F280 HydrophobicContact CG-CE1 4.12Å; Q17-F280 HydrophobicContact CG-CE2 3.8Å; Q17-F280 HydrophobicContact CG-CZ 3.67Å; Q17-F280 VanDerWaalsContact NE2-CD1 3.31Å; Q17-F280 VanDerWaalsContact NE2-CG 3.3Å; M18-F280 HydrophobicContact CG-CE2 3.65Å; M18-F280 HydrophobicContact CG-CZ 3.9Å; D21-F280 HydrophobicContact CB-CE1 4.43Å; A273-F280 HydrophobicContact CB-CB 4.25Å; A273-F280 HydrophobicContact CB-CD2 4.44Å; N276-F280 PolarHBondContact O-N 2.92Å; K278-F280 VanDerWaalsContact C-N 3.35Å; F280-L282 VanDerWaalsContact C-N 3.29Å; F280-L282 PolarHBondContact O-N 3.47Å; F280-V283 PolarHBondContact O-N 3.21Å; F280-Q284 HydrophobicContact CD1-CG 4.49Å; F280-Q284 VanDerWaalsContact CE1-CD 3.41Å; F280-Q284 HydrophobicContact CE1-CG 4.16Å; F280-Q284 HydrophobicContact CZ-CG 4.2Å; F280-Q284 PolarHBondContact O-N 2.78Å
281K87.6Confident88.2Confident130 Ų13059.2 Ų59.257%0.56529%0.294SS*.Hα-helixtrans-60.5-38.9177.1-71.4-174.3178.6-169.40112.4K277 K278 I279K277-K281 WeakPolarHBondContact O-CG 3.46Å; K277-K281 PolarHBondContact O-N 3Å; K277-K281 VanDerWaalsContact O-N 3.17Å; K278-K281 PolarHBondContact O-N 3.28Å; I279-K281 PolarHBondContact O-N 2.96Å
282L90.2Very high88.1Confident95 Ų9558.3 Ų58.350%0.49729%0.291SS..Hα-helixtrans-64.7-42.6176.7-17963.2000111.8F266 K278 I279 F280 V285 G286F266-L282 HydrophobicContact CE1-CG 4.12Å; K278-L282 WeakPolarHBondContact O-CB 3.4Å; K278-L282 PolarHBondContact O-N 3.27Å; K278-L282 VanDerWaalsContact O-N 3.1Å; I279-L282 WeakPolarHBondContact O-CB 3.49Å; I279-L282 PolarHBondContact O-N 3.29Å; I279-L282 VanDerWaalsContact O-N 3.17Å; F280-L282 VanDerWaalsContact C-N 3.29Å; F280-L282 PolarHBondContact O-N 3.47Å; L282-V285 PolarHBondContact O-N 2.76Å; L282-G286 PolarHBondContact O-N 2.83Å
283V90.4Very high88.2Confident10 Ų1061.1 Ų61.16%0.06130%0.297CS..Hα-helixtrans-67.8-41.1179.3169.60000111.4F266 L269 E270 A273 I279 F280 V285 G286 L287F266-V283 HydrophobicContact CD1-CG2 4.37Å; L269-V283 HydrophobicContact CB-CG2 3.89Å; E270-V283 HydrophobicContact CB-CG1 4.07Å; E270-V283 HydrophobicContact CG-CG1 4.17Å; A273-V283 HydrophobicContact CB-CG2 4.44Å; I279-V283 HydrophobicContact CG2-CG2 4.05Å; I279-V283 WeakPolarHBondContact O-CB 3.11Å; I279-V283 VanDerWaalsContact O-CG2 3.31Å; I279-V283 WeakPolarHBondContact O-CG2 3.27Å; I279-V283 PolarHBondContact O-N 2.92Å; F280-V283 PolarHBondContact O-N 3.21Å; V283-V285 PolarHBondContact O-N 3.41Å; V283-G286 PolarHBondContact O-N 3.02Å; V283-L287 HydrophobicContact CG1-CB 4.2Å; V283-L287 HydrophobicContact CG1-CD2 4.46Å; V283-L287 WeakPolarHBondContact O-CB 3.28Å; V283-L287 PolarHBondContact O-N 3.28Å
284Q85.3Confident88.4Confident48 Ų4861.1 Ų61.122%0.22430%0.297CS..Hα-helixtrans-56.4-37.1177.6-79.3-176.4-34.200113.2D21 F280 P288D21-Q284 PolarHBondContact OD2-NE2 3.28Å; D21-Q284 PolarHBondContact OD2-OE1 3.48Å; F280-Q284 HydrophobicContact CD1-CG 4.49Å; F280-Q284 VanDerWaalsContact CE1-CD 3.41Å; F280-Q284 HydrophobicContact CE1-CG 4.16Å; F280-Q284 HydrophobicContact CZ-CG 4.2Å; F280-Q284 PolarHBondContact O-N 2.78Å; Q284-P288 VanDerWaalsContact O-CD 3.25Å; Q284-P288 WeakPolarHBondContact O-CD 3.41Å; Q284-P288 WeakPolarHBondContact O-CG 3.21Å
285V83.8Confident88.6Confident83 Ų8359.9 Ų59.950%0.50329%0.291SS..Hα-helixtrans-88.6-43.4178.4-179.40000111.4L282 V283 P288 V289L282-V285 PolarHBondContact O-N 2.76Å; V283-V285 PolarHBondContact O-N 3.41Å; V285-P288 WeakPolarHBondContact O-CD 3.49Å; V285-V289 WeakPolarHBondContact O-CG2 3.38Å
286G87.8Confident88.7Confident9 Ų953.9 Ų53.99%0.09327%0.27CS..Hα-helixtrans-79.4-28-171.700000114.7L282 V283 V289 S290L282-G286 PolarHBondContact O-N 2.83Å; V283-G286 PolarHBondContact O-N 3.02Å; G286-V289 PolarHBondContact O-N 3.16Å; G286-S290 VanDerWaalsContact O-CB 3.23Å; G286-S290 WeakPolarHBondContact O-CB 3.44Å; G286-S290 PolarHBondContact O-N 3.49Å; G286-S290 PolarHBondContact O-OG 3.22Å
287L89.3Confident88.7Confident21 Ų2150.7 Ų50.711%0.1125%0.253CS..Hα-helixtrans-67.8-46.5179.2-173.469.8000112.5Y183 Y263 F266 V283 V289 S290 A291Y183-L287 HydrophobicContact CE2-CD2 4.42Å; Y183-L287 WeakPolarHBondContact OH-CD2 3.3Å; Y263-L287 HydrophobicContact CD2-CD1 4.25Å; Y263-L287 HydrophobicContact CE2-CD1 4.09Å; F266-L287 HydrophobicContact CB-CB 4.35Å; F266-L287 HydrophobicContact CB-CD1 3.71Å; V283-L287 HydrophobicContact CG1-CB 4.2Å; V283-L287 HydrophobicContact CG1-CD2 4.46Å; V283-L287 WeakPolarHBondContact O-CB 3.28Å; V283-L287 PolarHBondContact O-N 3.28Å; L287-V289 PolarHBondContact O-N 2.95Å; L287-S290 WeakPolarHBondContact CA-OG 3.09Å; L287-S290 PolarHBondContact O-N 2.9Å; L287-S290 PolarHBondContact O-OG 3.39Å; L287-A291 WeakPolarHBondContact O-CB 3.32Å; L287-A291 PolarHBondContact O-N 3.46Å
288P85.4Confident88.8Confident32 Ų3242.9 Ų42.921%0.20822%0.219CC..Hα-helixtrans-60.1-43.2173-24.434.6000112.8Q284 V285 A291 T292Q284-P288 VanDerWaalsContact O-CD 3.25Å; Q284-P288 WeakPolarHBondContact O-CD 3.41Å; Q284-P288 WeakPolarHBondContact O-CG 3.21Å; V285-P288 WeakPolarHBondContact O-CD 3.49Å; P288-A291 PolarHBondContact O-N 2.81Å; P288-T292 PolarHBondContact O-N 2.72Å; P288-T292 PolarHBondContact O-OG1 2.48Å
289V85.8Confident88.8Confident75 Ų7535.1 Ų35.146%0.45519%0.186SC..Hα-helixtrans-64-44.3178.5173.20000111.1V285 G286 L287 A291 T292 F293V285-V289 WeakPolarHBondContact O-CG2 3.38Å; G286-V289 PolarHBondContact O-N 3.16Å; L287-V289 PolarHBondContact O-N 2.95Å; V289-A291 VanDerWaalsContact C-N 3.34Å; V289-A291 PolarHBondContact O-N 3.2Å; V289-T292 WeakPolarHBondContact O-CB 3.35Å; V289-T292 PolarHBondContact O-N 2.87Å; V289-T292 VanDerWaalsContact O-N 3.16Å; V289-F293 HydrophobicContact CG1-CD2 4.23Å; V289-F293 HydrophobicContact CG1-CE2 3.87Å; V289-F293 VanDerWaalsContact O-CD2 3.24Å; V289-F293 WeakPolarHBondContact O-CD2 3.25Å; V289-F293 PolarHBondContact O-N 3.04Å
290S92.3Very high88.6Confident2 Ų236.5 Ų36.51%0.01419%0.194CC..Hα-helixtrans-68.7-31.9177.6610000113.1F266 G286 L287 T292 F293 A294F266-S290 WeakPolarHBondContact CD2-OG 3.24Å; G286-S290 VanDerWaalsContact O-CB 3.23Å; G286-S290 WeakPolarHBondContact O-CB 3.44Å; G286-S290 PolarHBondContact O-N 3.49Å; G286-S290 PolarHBondContact O-OG 3.22Å; L287-S290 WeakPolarHBondContact CA-OG 3.09Å; L287-S290 PolarHBondContact O-N 2.9Å; L287-S290 PolarHBondContact O-OG 3.39Å; S290-T292 VanDerWaalsContact C-N 3.32Å; S290-F293 WeakPolarHBondContact O-CB 3.48Å; S290-F293 PolarHBondContact O-N 3.33Å; S290-A294 PolarHBondContact O-N 3.03Å; S290-A294 VanDerWaalsContact O-N 3.11Å
291A90.1Very high88.2Confident9 Ų936.4 Ų36.47%0.07419%0.194CC..Hα-helixtrans-63-38.3169.400000111.6Y263 L287 P288 V289 F293 A294 F295Y263-A291 HydrophobicContact CD2-CB 4.13Å; Y263-A291 HydrophobicContact CE2-CB 4.34Å; L287-A291 WeakPolarHBondContact O-CB 3.32Å; L287-A291 PolarHBondContact O-N 3.46Å; P288-A291 PolarHBondContact O-N 2.81Å; V289-A291 VanDerWaalsContact C-N 3.34Å; V289-A291 PolarHBondContact O-N 3.2Å; A291-F293 VanDerWaalsContact C-N 3.33Å; A291-F293 PolarHBondContact O-N 3.49Å; A291-A294 WeakPolarHBondContact O-CB 3.15Å; A291-A294 PolarHBondContact O-N 3.29Å; A291-A294 VanDerWaalsContact O-N 3.15Å; A291-F295 WeakPolarHBondContact O-CD2 3.23Å; A291-F295 PolarHBondContact O-N 2.61Å
292T87.7Confident87.4Confident24 Ų2430.7 Ų30.715%0.14717%0.169CC..Hα-helixtrans-56.4-45.2170.8-61.70000111.9H38 P288 V289 S290 A294 F295 L296H38-T292 WeakPolarHBondContact CE1-CG2 3.46Å; H38-T292 PolarHBondContact CE1-OG1 2.93Å; H38-T292 WeakPolarHBondContact NE2-CG2 3.49Å; H38-T292 PolarHBondContact NE2-OG1 3.15Å; P288-T292 PolarHBondContact O-N 2.72Å; P288-T292 PolarHBondContact O-OG1 2.48Å; V289-T292 WeakPolarHBondContact O-CB 3.35Å; V289-T292 PolarHBondContact O-N 2.87Å; V289-T292 VanDerWaalsContact O-N 3.16Å; S290-T292 VanDerWaalsContact C-N 3.32Å; T292-A294 VanDerWaalsContact C-N 3.31Å; T292-A294 PolarHBondContact O-N 3.3Å; T292-F295 WeakPolarHBondContact O-CB 3.37Å; T292-F295 PolarHBondContact O-N 3.46Å; T292-L296 PolarHBondContact O-N 3.11Å
293F91.1Very high86.3Confident95 Ų9528.8 Ų28.842%0.41716%0.162SC..Hα-helixtrans-60.8-39.4176.1-79.3-82.9000112.4C259 V289 S290 A291 F295 L296C259-F293 WeakPolarHBondContact CA-O 3.47Å; C259-F293 VanDerWaalsContact CB-O 3.24Å; C259-F293 WeakPolarHBondContact CB-O 3.14Å; C259-F293 CarbonylContact O-C 3.36Å; C259-F293 PolarHBondContact SG-O 2.83Å; C259-F293 VanDerWaalsContact SG-O 3.41Å; V289-F293 HydrophobicContact CG1-CD2 4.23Å; V289-F293 HydrophobicContact CG1-CE2 3.87Å; V289-F293 VanDerWaalsContact O-CD2 3.24Å; V289-F293 WeakPolarHBondContact O-CD2 3.25Å; V289-F293 PolarHBondContact O-N 3.04Å; S290-F293 WeakPolarHBondContact O-CB 3.48Å; S290-F293 PolarHBondContact O-N 3.33Å; A291-F293 VanDerWaalsContact C-N 3.33Å; A291-F293 PolarHBondContact O-N 3.49Å; F293-F295 VanDerWaalsContact C-N 3.33Å; F293-F295 PolarHBondContact O-N 2.87Å; F293-L296 HydrophobicContact CD1-CD1 4.19Å; F293-L296 WeakPolarHBondContact O-CB 3.27Å; F293-L296 PolarHBondContact O-N 3.3Å; F293-L296 VanDerWaalsContact O-N 3.17Å
294A92.7Very high85.1Confident1 Ų129.6 Ų29.61%0.00817%0.165CC..Hα-helixtrans-62.7-41.2175.700000111.6F111 C259 W260 Y263 S290 A291 T292 L296 N297F111-A294 HydrophobicContact CE2-CB 4.07Å; F111-A294 HydrophobicContact CZ-CB 4.16Å; C259-A294 VanDerWaalsContact O-CA 3.27Å; C259-A294 WeakPolarHBondContact O-CA 3.25Å; C259-A294 PolarHBondContact O-N 3.33Å; C259-A294 VanDerWaalsContact O-N 3.13Å; W260-A294 HydrophobicContact CD2-CB 4.36Å; W260-A294 HydrophobicContact CE3-CB 3.86Å; W260-A294 HydrophobicContact CH2-CB 4.29Å; W260-A294 HydrophobicContact CZ3-CB 3.8Å; Y263-A294 HydrophobicContact CG-CB 4.45Å; S290-A294 PolarHBondContact O-N 3.03Å; S290-A294 VanDerWaalsContact O-N 3.11Å; A291-A294 WeakPolarHBondContact O-CB 3.15Å; A291-A294 PolarHBondContact O-N 3.29Å; A291-A294 VanDerWaalsContact O-N 3.15Å; T292-A294 VanDerWaalsContact C-N 3.31Å; T292-A294 PolarHBondContact O-N 3.3Å; A294-L296 PolarHBondContact O-N 3.13Å; A294-N297 VanDerWaalsContact O-CB 3.28Å; A294-N297 WeakPolarHBondContact O-CB 3.38Å; A294-N297 PolarHBondContact O-N 3.31Å
295F88.4Confident83.9Confident10 Ų1028.2 Ų28.24%0.04416%0.158CC..Hα-helixtrans-65.7-17.3175.2-79.7-61.2000115L84 F87 F111 A291 T292 F293 N297 P298L84-F295 HydrophobicContact CD2-CB 3.77Å; L84-F295 HydrophobicContact CD2-CD1 3.42Å; L84-F295 VanDerWaalsContact CD2-CD1 3.42Å; L84-F295 HydrophobicContact CD2-CD2 3.88Å; L84-F295 HydrophobicContact CD2-CE1 3.84Å; L84-F295 HydrophobicContact CD2-CE2 4.29Å; L84-F295 HydrophobicContact CD2-CG 3.44Å; L84-F295 VanDerWaalsContact CD2-CG 3.44Å; L84-F295 HydrophobicContact CD2-CZ 4.27Å; L84-F295 HydrophobicContact CG-CD1 4.14Å; F87-F295 AromaticContact CD2-CE2 3.81Å; F87-F295 HydrophobicContact CD2-CE2 3.81Å; F87-F295 HydrophobicContact CD2-CZ 4.19Å; F87-F295 AromaticContact CE2-CE2 3.96Å; F87-F295 HydrophobicContact CE2-CE2 3.96Å; F87-F295 HydrophobicContact CG-CE2 4.39Å; F111-F295 HydrophobicContact CB-CE1 4.38Å; F111-F295 HydrophobicContact CB-CZ 4.2Å; F111-F295 HydrophobicContact CD2-CD1 4Å; F111-F295 HydrophobicContact CD2-CD2 4.44Å; F111-F295 AromaticContact CD2-CE1 3.38Å; F111-F295 HydrophobicContact CD2-CE1 3.38Å; F111-F295 AromaticContact CD2-CE2 3.86Å; F111-F295 HydrophobicContact CD2-CE2 3.86Å; F111-F295 AromaticContact CD2-CZ 3.28Å; F111-F295 HydrophobicContact CD2-CZ 3.28Å; F111-F295 HydrophobicContact CE2-CD1 4.33Å; F111-F295 HydrophobicContact CE2-CD2 4.29Å; F111-F295 HydrophobicContact CE2-CE1 4.08Å; F111-F295 AromaticContact CE2-CE2 4Å; F111-F295 HydrophobicContact CE2-CE2 4Å; F111-F295 HydrophobicContact CE2-CG 4.44Å; F111-F295 AromaticContact CE2-CZ 3.9Å; F111-F295 HydrophobicContact CE2-CZ 3.9Å; F111-F295 HydrophobicContact CG-CE1 4.3Å; F111-F295 HydrophobicContact CG-CZ 4.01Å; A291-F295 WeakPolarHBondContact O-CD2 3.23Å; A291-F295 PolarHBondContact O-N 2.61Å; T292-F295 WeakPolarHBondContact O-CB 3.37Å; T292-F295 PolarHBondContact O-N 3.46Å; F293-F295 VanDerWaalsContact C-N 3.33Å; F293-F295 PolarHBondContact O-N 2.87Å; F295-N297 PolarHBondContact O-N 2.89Å; F295-P298 WeakPolarHBondContact O-CD 3.46Å
296L89.1Confident82.7Confident33 Ų3326.3 Ų26.317%0.17315%0.147CC..THydrogen-bonded Turntrans-71-22.1170.8-62.5176.9000112.2F41 T292 F293 A294 V299 L300F41-L296 HydrophobicContact CB-CD2 4.47Å; F41-L296 HydrophobicContact CD1-CD2 4.14Å; F41-L296 HydrophobicContact CD2-CD2 3.36Å; F41-L296 HydrophobicContact CE1-CD2 4.18Å; F41-L296 HydrophobicContact CE2-CD2 3.38Å; F41-L296 HydrophobicContact CG-CD2 3.76Å; F41-L296 HydrophobicContact CZ-CD2 3.81Å; T292-L296 PolarHBondContact O-N 3.11Å; F293-L296 HydrophobicContact CD1-CD1 4.19Å; F293-L296 WeakPolarHBondContact O-CB 3.27Å; F293-L296 PolarHBondContact O-N 3.3Å; F293-L296 VanDerWaalsContact O-N 3.17Å; A294-L296 PolarHBondContact O-N 3.13Å; L296-V299 PolarHBondContact O-N 3.36Å; L296-L300 HydrophobicContact CB-CD1 4.41Å; L296-L300 WeakPolarHBondContact O-CG 3.48Å; L296-L300 PolarHBondContact O-N 3.17Å
297N90.5Very high81Confident1 Ų133.6 Ų33.61%0.00518%0.176CC..Hα-helixtrans-59.6-49.8-177.3-175.9-105000112.5C259 W260 A294 F295 V299 L300 N301C259-N297 HydrophobicContact CB-CB 3.68Å; W260-N297 HydrophobicContact CZ2-CB 4.41Å; W260-N297 VanDerWaalsContact NE1-CG 3.26Å; W260-N297 PolarHBondContact NE1-OD1 2.88Å; A294-N297 VanDerWaalsContact O-CB 3.28Å; A294-N297 WeakPolarHBondContact O-CB 3.38Å; A294-N297 PolarHBondContact O-N 3.31Å; F295-N297 PolarHBondContact O-N 2.89Å; N297-V299 PolarHBondContact O-N 3.46Å; N297-V299 VanDerWaalsContact O-N 3.17Å; N297-L300 PolarHBondContact O-N 3.03Å; N297-L300 VanDerWaalsContact O-N 3.12Å; N297-N301 PolarHBondContact ND2-OD1 3.31Å; N297-N301 PolarHBondContact O-N 3.43Å; N297-N301 PolarHBondContact O-ND2 2.97Å; N297-N301 PolarHBondContact O-OD1 3.47Å; N297-N301 PolarHBondContact OD1-ND2 3.32Å
298P88.9Confident78.9Confident1 Ų133.1 Ų33.11%0.00618%0.175CC..Hα-helixtrans-53.9-28.8171.3-32.236.8000116.3N49 D77 A80 T81 F295 P302N49-P298 PolarHBondContact ND2-O 2.92Å; D77-P298 HydrophobicContact CB-CB 3.72Å; D77-P298 HydrophobicContact CB-CG 4.48Å; A80-P298 HydrophobicContact CB-CG 4.12Å; T81-P298 HydrophobicContact CG2-CB 3.77Å; F295-P298 WeakPolarHBondContact O-CD 3.46Å; P298-P302 WeakPolarHBondContact O-CD 3.38Å
299V88.6Confident77.1Confident12 Ų1233.1 Ų33.17%0.07318%0.175CC..Hα-helixtrans-82.2-37.6178.4-173.10000110.5L44 T81 L296 N297L44-V299 HydrophobicContact CB-CG1 4.37Å; T81-V299 HydrophobicContact CG2-CG2 4.45Å; L296-V299 PolarHBondContact O-N 3.36Å; N297-V299 PolarHBondContact O-N 3.46Å; N297-V299 VanDerWaalsContact O-N 3.17Å
300L85.6Confident75.1Confident68 Ų6834 Ų3436%0.35618%0.182SC..Hα-helixtrans-77.3-29.2-179.2-66.4176.3000113.2L296 N297 V303 L304L296-L300 HydrophobicContact CB-CD1 4.41Å; L296-L300 WeakPolarHBondContact O-CG 3.48Å; L296-L300 PolarHBondContact O-N 3.17Å; N297-L300 PolarHBondContact O-N 3.03Å; N297-L300 VanDerWaalsContact O-N 3.12Å; L300-V303 WeakPolarHBondContact O-CB 3.26Å; L300-V303 PolarHBondContact O-N 3.47Å; L300-L304 HydrophobicContact CB-CD1 4.12Å; L300-L304 WeakPolarHBondContact O-CD1 2.99Å; L300-L304 WeakPolarHBondContact O-CG 3.42Å; L300-L304 PolarHBondContact O-N 3.04Å
301N81.8Confident72.8Confident6 Ų641 Ų413%0.03221%0.214CC..Hα-helixtrans-52.5-55.1-177-74.8-19.8000112.4D77 N297 V303 L304 Y305D77-N301 WeakPolarHBondContact OD2-CB 3.29Å; D77-N301 PolarHBondContact OD2-ND2 3.36Å; N297-N301 PolarHBondContact ND2-OD1 3.31Å; N297-N301 PolarHBondContact O-N 3.43Å; N297-N301 PolarHBondContact O-ND2 2.97Å; N297-N301 PolarHBondContact O-OD1 3.47Å; N297-N301 PolarHBondContact OD1-ND2 3.32Å; N301-V303 PolarHBondContact O-N 2.92Å; N301-L304 PolarHBondContact O-N 2.76Å; N301-Y305 HydrophobicContact CB-CE2 4.24Å; N301-Y305 WeakPolarHBondContact O-CD2 3.48Å; N301-Y305 PolarHBondContact O-N 3.26Å; N301-Y305 VanDerWaalsContact O-N 3.07Å
302P71.7Confident70.8Confident9 Ų942 Ų426%0.05822%0.217CC..Hα-helixtrans-46.8-51.6172.7-34.239.2000114.7E48 I52 P298 L304 Y305 V306E48-P302 HydrophobicContact CB-CB 4.42Å; E48-P302 HydrophobicContact CB-CG 4.37Å; I52-P302 HydrophobicContact CD1-CB 3.48Å; I52-P302 VanDerWaalsContact CD1-CB 3.48Å; I52-P302 HydrophobicContact CD1-CG 3.62Å; P298-P302 WeakPolarHBondContact O-CD 3.38Å; P302-L304 PolarHBondContact O-N 3.1Å; P302-Y305 PolarHBondContact O-N 2.9Å; P302-V306 VanDerWaalsContact O-CG2 3.28Å; P302-V306 WeakPolarHBondContact O-CG2 3.5Å; P302-V306 PolarHBondContact O-N 3.46Å; P302-V306 VanDerWaalsContact O-N 3.12Å
303V65.6Low68.9Low55 Ų5542.9 Ų42.933%0.33322%0.224SC..Hα-helixtrans-61.3-47.2-177.9179.30000110L300 N301 Y305 V306 F307L300-V303 WeakPolarHBondContact O-CB 3.26Å; L300-V303 PolarHBondContact O-N 3.47Å; N301-V303 PolarHBondContact O-N 2.92Å; V303-Y305 PolarHBondContact O-N 3.15Å; V303-V306 PolarHBondContact O-N 3.17Å; V303-F307 HydrophobicContact CG1-CD2 3.73Å; V303-F307 HydrophobicContact CG1-CE2 3.68Å; V303-F307 WeakPolarHBondContact O-CD2 3.39Å; V303-F307 PolarHBondContact O-N 3.22Å; V303-F307 VanDerWaalsContact O-N 3.1Å
304L64.9Low67.1Low27 Ų2741.7 Ų41.714%0.14123%0.225CC..Hα-helixtrans-60.5-43.9179.5-67.4164.2000111.4A255 L300 N301 P302 F307 S308A255-L304 HydrophobicContact CB-CD1 3.25Å; A255-L304 HydrophobicContact CB-CD2 4.25Å; A255-L304 HydrophobicContact CB-CG 4.35Å; L300-L304 HydrophobicContact CB-CD1 4.12Å; L300-L304 WeakPolarHBondContact O-CD1 2.99Å; L300-L304 WeakPolarHBondContact O-CG 3.42Å; L300-L304 PolarHBondContact O-N 3.04Å; N301-L304 PolarHBondContact O-N 2.76Å; P302-L304 PolarHBondContact O-N 3.1Å; L304-F307 PolarHBondContact O-N 3.16Å; L304-S308 WeakPolarHBondContact O-CB 3.23Å; L304-S308 PolarHBondContact O-N 3.15Å; L304-S308 PolarHBondContact O-OG 3.4Å
305Y61.7Low65.2Low19 Ų1947.8 Ų47.88%0.07525%0.247CC..Hα-helixtrans-68.8-38-179.3-71.6-65.9000114L73 L122 I125 N301 P302 V303 S308 C309L73-Y305 HydrophobicContact CD2-CD2 4.48Å; L73-Y305 HydrophobicContact CD2-CE2 3.38Å; L73-Y305 VanDerWaalsContact CD2-OH 3.24Å; L73-Y305 WeakPolarHBondContact CD2-OH 3.12Å; L122-Y305 WeakPolarHBondContact CD2-OH 3.44Å; I125-Y305 HydrophobicContact CD1-CE1 4.46Å; I125-Y305 WeakPolarHBondContact CD1-OH 3.4Å; N301-Y305 HydrophobicContact CB-CE2 4.24Å; N301-Y305 WeakPolarHBondContact O-CD2 3.48Å; N301-Y305 PolarHBondContact O-N 3.26Å; N301-Y305 VanDerWaalsContact O-N 3.07Å; P302-Y305 PolarHBondContact O-N 2.9Å; V303-Y305 PolarHBondContact O-N 3.15Å; Y305-S308 PolarHBondContact O-N 3.26Å; Y305-C309 PolarHBondContact O-N 3.18Å; Y305-C309 VanDerWaalsContact O-N 3.12Å
306V58.5Low63.7Low43 Ų4348.7 Ų48.726%0.26125%0.252SS..Hα-helixtrans-59.5-50.8175.4169.70000109.4P302 V303 S308 C313 I316P302-V306 VanDerWaalsContact O-CG2 3.28Å; P302-V306 WeakPolarHBondContact O-CG2 3.5Å; P302-V306 PolarHBondContact O-N 3.46Å; P302-V306 VanDerWaalsContact O-N 3.12Å; V303-V306 PolarHBondContact O-N 3.17Å; V306-S308 VanDerWaalsContact C-N 3.31Å; V306-S308 PolarHBondContact O-N 3.13Å; V306-C313 WeakPolarHBondContact CG1-SG 3.34Å; V306-C313 PolarHBondContact O-SG 3.19Å; V306-I316 HydrophobicContact CG2-CD1 4.29Å
307F50.8Low62.2Low162 Ų16256.9 Ų56.971%0.71128%0.281SS*.Hα-helixtrans-72.3-22.8177.9-70-67.3000114.2V303 L304V303-F307 HydrophobicContact CG1-CD2 3.73Å; V303-F307 HydrophobicContact CG1-CE2 3.68Å; V303-F307 WeakPolarHBondContact O-CD2 3.39Å; V303-F307 PolarHBondContact O-N 3.22Å; V303-F307 VanDerWaalsContact O-N 3.1Å; L304-F307 PolarHBondContact O-N 3.16Å
308S46.1Very low60.7Low12 Ų1262.7 Ų62.78%0.08431%0.308CS..Hα-helixtrans-78.9-23.5179.4-67.50000114.3M248 L304 Y305 V306M248-S308 WeakPolarHBondContact CG-OG 3.29Å; M248-S308 WeakPolarHBondContact SD-CB 3.48Å; L304-S308 WeakPolarHBondContact O-CB 3.23Å; L304-S308 PolarHBondContact O-N 3.15Å; L304-S308 PolarHBondContact O-OG 3.4Å; Y305-S308 PolarHBondContact O-N 3.26Å; V306-S308 VanDerWaalsContact C-N 3.31Å; V306-S308 PolarHBondContact O-N 3.13Å
309C47.5Very low59.3Low31 Ų3164.1 Ų64.121%0.20932%0.318CS..  trans-131.593.1-175.5-78.10000110.7R129 Y305 H311 F312 C313R129-C309 PolarHBondContact NH2-SG 3.08Å; Y305-C309 PolarHBondContact O-N 3.18Å; Y305-C309 VanDerWaalsContact O-N 3.12Å; C309-H311 PolarHBondContact O-N 3.32Å; C309-H311 VanDerWaalsContact O-N 3.08Å; C309-F312 HydrophobicContact CB-CB 3.63Å; C309-F312 WeakPolarHBondContact O-CA 3.11Å; C309-F312 VanDerWaalsContact O-CB 3.29Å; C309-F312 WeakPolarHBondContact O-CB 3.44Å; C309-F312 PolarHBondContact O-N 3.36Å; C309-C313 PolarHBondContact O-N 3Å
310P43.2Very low57.7Low93 Ų9366 Ų6660%0.60433%0.327SS*.Hα-helixtrans-53.8-35.6179.1-25.732.8000113.1F312 C313 V314P310-F312 VanDerWaalsContact C-N 3.28Å; P310-F312 PolarHBondContact O-N 3.02Å; P310-C313 PolarHBondContact O-N 3.03Å; P310-V314 WeakPolarHBondContact O-CG2 3.36Å; P310-V314 PolarHBondContact O-N 3Å
311H44.9Very low56.3Low149 Ų14963.9 Ų63.969%0.6932%0.322SS*.Hα-helixtrans-70.4-20.5177.7-127.7-58.1000114C309C309-H311 PolarHBondContact O-N 3.32Å; C309-H311 VanDerWaalsContact O-N 3.08Å
312F46.8Very low55.2Low30 Ų3066.2 Ų66.213%0.13234%0.343CS..Hα-helixtrans-84-39.7177.1-171.1-112000111.4L56 M70 C309 P310 V314 R315 I316L56-F312 HydrophobicContact CD1-CZ 4.49Å; L56-F312 HydrophobicContact CD2-CE2 4.03Å; L56-F312 HydrophobicContact CD2-CZ 4.13Å; M70-F312 HydrophobicContact CE-CD2 3.88Å; M70-F312 HydrophobicContact CE-CE2 3.31Å; M70-F312 HydrophobicContact CE-CZ 3.71Å; M70-F312 HydrophobicContact SD-CD1 4.49Å; M70-F312 HydrophobicContact SD-CD2 4.33Å; M70-F312 HydrophobicContact SD-CE1 3.94Å; M70-F312 HydrophobicContact SD-CE2 3.79Å; M70-F312 HydrophobicContact SD-CZ 3.56Å; M70-F312 VanDerWaalsContact SD-CZ 3.56Å; C309-F312 HydrophobicContact CB-CB 3.63Å; C309-F312 WeakPolarHBondContact O-CA 3.11Å; C309-F312 VanDerWaalsContact O-CB 3.29Å; C309-F312 WeakPolarHBondContact O-CB 3.44Å; C309-F312 PolarHBondContact O-N 3.36Å; P310-F312 VanDerWaalsContact C-N 3.28Å; P310-F312 PolarHBondContact O-N 3.02Å; F312-V314 VanDerWaalsContact C-N 3.27Å; F312-V314 PolarHBondContact O-N 3.11Å; F312-R315 PolarHBondContact O-N 3.32Å; F312-R315 VanDerWaalsContact O-N 3.1Å; F312-I316 HydrophobicContact CD1-CD1 3.76Å; F312-I316 HydrophobicContact CD1-CG1 4.45Å; F312-I316 HydrophobicContact CE1-CD1 3.27Å; F312-I316 HydrophobicContact CE1-CG1 4.16Å; F312-I316 HydrophobicContact CZ-CD1 3.71Å; F312-I316 HydrophobicContact CZ-CG1 4.26Å; F312-I316 PolarHBondContact O-N 2.77Å
313C49.3Very low54.5Low44 Ų4467.2 Ų67.230%0.29735%0.348SS..Hα-helixtrans-52.4-45.4168.5-79.60000112.2V306 C309 P310 R315 I316 R317V306-C313 WeakPolarHBondContact CG1-SG 3.34Å; V306-C313 PolarHBondContact O-SG 3.19Å; C309-C313 PolarHBondContact O-N 3Å; P310-C313 PolarHBondContact O-N 3.03Å; C313-R315 VanDerWaalsContact C-N 3.31Å; C313-R315 PolarHBondContact O-N 2.64Å; C313-I316 PolarHBondContact O-N 3.16Å; C313-R317 WeakPolarHBondContact O-CB 3.47Å; C313-R317 PolarHBondContact O-N 3.35Å
314V52.1Low53.9Low70 Ų7071 Ų7142%0.42436%0.361SS..Hα-helixtrans-60.6-41.7179.1174.40000110.9P310 F312 Q318P310-V314 WeakPolarHBondContact O-CG2 3.36Å; P310-V314 PolarHBondContact O-N 3Å; F312-V314 VanDerWaalsContact C-N 3.27Å; F312-V314 PolarHBondContact O-N 3.11Å; V314-Q318 HydrophobicContact CG1-CG 4.38Å; V314-Q318 VanDerWaalsContact O-CB 3.28Å; V314-Q318 WeakPolarHBondContact O-CB 3.22Å; V314-Q318 WeakPolarHBondContact O-CG 3.31Å; V314-Q318 PolarHBondContact O-N 3.23Å
315R53.7Low53.2Low128 Ų12874.7 Ų74.748%0.48338%0.381SS..Hα-helixtrans-73.5-38.4-179.5-72.9-175.3177.1-174.1-0.5113.6F312 C313 S319F312-R315 PolarHBondContact O-N 3.32Å; F312-R315 VanDerWaalsContact O-N 3.1Å; C313-R315 VanDerWaalsContact C-N 3.31Å; C313-R315 PolarHBondContact O-N 2.64Å; R315-S319 WeakPolarHBondContact O-CB 3.37Å; R315-S319 PolarHBondContact O-N 3.49Å; R315-S319 PolarHBondContact O-OG 2.96Å
316I56.7Low52.4Low30 Ų3075.1 Ų75.115%0.15439%0.39CS..Hα-helixtrans-64.6-46.4172.7-72.6179.4000109.7V306 F312 C313 Q318 S319 L320V306-I316 HydrophobicContact CG2-CD1 4.29Å; F312-I316 HydrophobicContact CD1-CD1 3.76Å; F312-I316 HydrophobicContact CD1-CG1 4.45Å; F312-I316 HydrophobicContact CE1-CD1 3.27Å; F312-I316 HydrophobicContact CE1-CG1 4.16Å; F312-I316 HydrophobicContact CZ-CD1 3.71Å; F312-I316 HydrophobicContact CZ-CG1 4.26Å; F312-I316 PolarHBondContact O-N 2.77Å; C313-I316 PolarHBondContact O-N 3.16Å; I316-Q318 VanDerWaalsContact C-N 3.33Å; I316-Q318 PolarHBondContact O-N 3.11Å; I316-S319 PolarHBondContact O-N 3.11Å; I316-S319 VanDerWaalsContact O-N 3.13Å; I316-L320 HydrophobicContact CG2-CD1 3.77Å; I316-L320 HydrophobicContact CG2-CG 4.33Å; I316-L320 WeakPolarHBondContact O-CB 3.49Å; I316-L320 WeakPolarHBondContact O-CG 2.84Å; I316-L320 PolarHBondContact O-N 3.03Å
317R56.8Low51.8Low204 Ų20477.9 Ų77.977%0.7740%0.403SS*.Hα-helixtrans-62.9-37.6177.7-171.5174.2176.1158.2-0.4112.4C313 G321C313-R317 WeakPolarHBondContact O-CB 3.47Å; C313-R317 PolarHBondContact O-N 3.35Å; R317-G321 WeakPolarHBondContact O-CA 3.35Å; R317-G321 PolarHBondContact O-N 3.29Å
318Q59.2Low51.5Low124 Ų12475 Ų7558%0.57940%0.399SS*.Hα-helixtrans-66.6-39172.5-78.1168.9-14.200112.3V314 I316 A322V314-Q318 HydrophobicContact CG1-CG 4.38Å; V314-Q318 VanDerWaalsContact O-CB 3.28Å; V314-Q318 WeakPolarHBondContact O-CB 3.22Å; V314-Q318 WeakPolarHBondContact O-CG 3.31Å; V314-Q318 PolarHBondContact O-N 3.23Å; I316-Q318 VanDerWaalsContact C-N 3.33Å; I316-Q318 PolarHBondContact O-N 3.11Å; Q318-A322 WeakPolarHBondContact O-CB 3.31Å; Q318-A322 PolarHBondContact O-N 3.02Å
319S59Low51.5Low30 Ų3082 Ų8221%0.2143%0.43CS..Hα-helixtrans-71.2-40.4179.3-57.30000111.9R315 I316 V323R315-S319 WeakPolarHBondContact O-CB 3.37Å; R315-S319 PolarHBondContact O-N 3.49Å; R315-S319 PolarHBondContact O-OG 2.96Å; I316-S319 PolarHBondContact O-N 3.11Å; I316-S319 VanDerWaalsContact O-N 3.13Å; S319-V323 WeakPolarHBondContact O-CG2 3.49Å; S319-V323 PolarHBondContact O-N 2.98Å
320L56.5Low51.2Low51 Ų5188.4 Ų88.427%0.26746%0.457SS..Hα-helixtrans-67.9-43.7172.5-73.3171.6000111L51 I316 A322 V323 F324L51-L320 HydrophobicContact CD1-CD2 4.23Å; I316-L320 HydrophobicContact CG2-CD1 3.77Å; I316-L320 HydrophobicContact CG2-CG 4.33Å; I316-L320 WeakPolarHBondContact O-CB 3.49Å; I316-L320 WeakPolarHBondContact O-CG 2.84Å; I316-L320 PolarHBondContact O-N 3.03Å; L320-A322 PolarHBondContact O-N 2.96Å; L320-V323 WeakPolarHBondContact O-CB 3.28Å; L320-V323 PolarHBondContact O-N 3.36Å; L320-F324 WeakPolarHBondContact O-CD2 3.08Å; L320-F324 PolarHBondContact O-N 3.39Å
321G55.2Low50.6Low25 Ų2587.3 Ų87.326%0.25846%0.463SS..Hα-helixtrans-54.2-50.617400000111.4R317 V323 F324 D325R317-G321 WeakPolarHBondContact O-CA 3.35Å; R317-G321 PolarHBondContact O-N 3.29Å; G321-V323 PolarHBondContact O-N 3.2Å; G321-V323 VanDerWaalsContact O-N 3.16Å; G321-F324 PolarHBondContact O-N 2.84Å; G321-D325 VanDerWaalsContact O-CB 3.3Å; G321-D325 WeakPolarHBondContact O-CB 3.31Å; G321-D325 PolarHBondContact O-N 2.83Å
322A58.3Low50.1Low55 Ų5582.8 Ų82.846%0.45546%0.456SS..Hα-helixtrans-63.8-22.2177.100000114.6Q318 L320 G326Q318-A322 WeakPolarHBondContact O-CB 3.31Å; Q318-A322 PolarHBondContact O-N 3.02Å; L320-A322 PolarHBondContact O-N 2.96Å; A322-G326 PolarHBondContact O-N 3.31Å; A322-G326 VanDerWaalsContact O-N 3.17Å
323V58.7Low49.4Very low30 Ų3084.3 Ų84.318%0.18248%0.481CS..Hα-helixtrans-82.4-44.4175.5171.50000110.2W54 S319 L320 G321 D325 G326 L327W54-V323 HydrophobicContact CH2-CB 4.4Å; W54-V323 HydrophobicContact CH2-CG1 4.09Å; W54-V323 HydrophobicContact CH2-CG2 3.53Å; W54-V323 HydrophobicContact CZ2-CG2 4.45Å; W54-V323 HydrophobicContact CZ3-CG2 4.24Å; S319-V323 WeakPolarHBondContact O-CG2 3.49Å; S319-V323 PolarHBondContact O-N 2.98Å; L320-V323 WeakPolarHBondContact O-CB 3.28Å; L320-V323 PolarHBondContact O-N 3.36Å; G321-V323 PolarHBondContact O-N 3.2Å; G321-V323 VanDerWaalsContact O-N 3.16Å; V323-D325 VanDerWaalsContact C-N 3.35Å; V323-G326 PolarHBondContact O-N 2.87Å; V323-L327 HydrophobicContact CG1-CD1 4Å; V323-L327 WeakPolarHBondContact O-CB 3.44Å; V323-L327 VanDerWaalsContact O-CG 3.24Å; V323-L327 WeakPolarHBondContact O-CG 3.44Å; V323-L327 PolarHBondContact O-N 3.28Å
324F53.1Low48.6Very low135 Ų13589.8 Ų89.859%0.59251%0.506SS*.Hα-helixtrans-63.8-41.5173.1-83.2-74.4000111.4L320 G321 L327 V328L320-F324 WeakPolarHBondContact O-CD2 3.08Å; L320-F324 PolarHBondContact O-N 3.39Å; G321-F324 PolarHBondContact O-N 2.84Å; F324-L327 PolarHBondContact O-N 3.21Å; F324-V328 WeakPolarHBondContact O-CB 3.38Å; F324-V328 WeakPolarHBondContact O-CG2 3.34Å; F324-V328 PolarHBondContact O-N 3.34Å
325D49.8Very low47.6Very low104 Ų10494.2 Ų94.256%0.55653%0.526SS*.Hα-helixtrans-63.6-41.9175.8-64.8-22.6000110.7G321 V323 V328 E329G321-D325 VanDerWaalsContact O-CB 3.3Å; G321-D325 WeakPolarHBondContact O-CB 3.31Å; G321-D325 PolarHBondContact O-N 2.83Å; V323-D325 VanDerWaalsContact C-N 3.35Å; D325-V328 PolarHBondContact O-N 3.13Å; D325-E329 WeakPolarHBondContact O-CB 3.49Å; D325-E329 WeakPolarHBondContact O-CG 3.44Å; D325-E329 PolarHBondContact O-N 3.4Å
326G45.2Very low46.6Very low27 Ų2793.4 Ų93.428%0.27854%0.536SS..Hα-helixtrans-65.9-37174.400000113.9A322 V323 E329 E330A322-G326 PolarHBondContact O-N 3.31Å; A322-G326 VanDerWaalsContact O-N 3.17Å; V323-G326 PolarHBondContact O-N 2.87Å; G326-E329 PolarHBondContact O-N 2.99Å; G326-E330 PolarHBondContact O-N 3.27Å
327L45Very low45.6Very low101 Ų10198.2 Ų98.253%0.52957%0.567SS.*Hα-helixtrans-72.7-32.5174.8-72.2169000112.3V323 F324 G331V323-L327 HydrophobicContact CG1-CD1 4Å; V323-L327 WeakPolarHBondContact O-CB 3.44Å; V323-L327 VanDerWaalsContact O-CG 3.24Å; V323-L327 WeakPolarHBondContact O-CG 3.44Å; V323-L327 PolarHBondContact O-N 3.28Å; F324-L327 PolarHBondContact O-N 3.21Å; L327-G331 PolarHBondContact O-N 3.49Å
328V45Very low44.7Very low102 Ų10293.9 Ų93.962%0.61857%0.565SS**Hα-helixtrans-72.8-35.6173.5169.60000110.7F324 D325 G331 G332F324-V328 WeakPolarHBondContact O-CB 3.38Å; F324-V328 WeakPolarHBondContact O-CG2 3.34Å; F324-V328 PolarHBondContact O-N 3.34Å; D325-V328 PolarHBondContact O-N 3.13Å; V328-G331 PolarHBondContact O-N 2.96Å; V328-G332 WeakPolarHBondContact O-CA 3.47Å; V328-G332 PolarHBondContact O-N 3.41Å
329E44.7Very low44Very low160 Ų16093.2 Ų93.275%0.74858%0.581SS**Hα-helixtrans-68.9-38.5171.9-78.3-174.4161.600112.3D325 G326D325-E329 WeakPolarHBondContact O-CB 3.49Å; D325-E329 WeakPolarHBondContact O-CG 3.44Å; D325-E329 PolarHBondContact O-N 3.4Å; G326-E329 PolarHBondContact O-N 2.99Å
330E42.8Very low43Very low164 Ų164102.3 Ų102.377%0.76661%0.61SS**Hα-helixtrans-70.9-32172.9-81.2-178.9159.900112.8G326G326-E330 PolarHBondContact O-N 3.27Å
331G30.6Very low42.3Very low71 Ų71106.5 Ų106.573%0.73263%0.633SS**Hα-helixtrans-84.5-15.8176.100000115.2L327 V328L327-G331 PolarHBondContact O-N 3.49Å; V328-G331 PolarHBondContact O-N 2.96Å
332G33.6Very low41.8Very low54 Ų54111.4 Ų111.456%0.55765%0.653SS**THydrogen-bonded Turntrans-96.59-179.400000114.5V328 L334V328-G332 WeakPolarHBondContact O-CA 3.47Å; V328-G332 PolarHBondContact O-N 3.41Å; G332-L334 PolarHBondContact O-N 3.37Å
333G32.5Very low41.3Very low62 Ų62117.1 Ų117.164%0.63967%0.67SS**  trans-73.451-177.600000115.1
334L32.8Very low40.4Very low159 Ų159118.6 Ų118.683%0.83269%0.686SS**SBendtrans-161.480158.2-144.485000110.7G332G332-L334 PolarHBondContact O-N 3.37Å
335L30.6Very low39.8Very low162 Ų162119.3 Ų119.385%0.84869%0.685SS**SBendtrans179.684.2146.1-93.3153.1000110.4
336T33.2Very low39.8Very low111 Ų111119.1 Ų119.168%0.68168%0.683SS**  trans37.7113.4138.650.40000121.8
337T34.8Very low39.7Very low132 Ų132125.8 Ų125.881%0.8170%0.704SS**  trans79.1155.1135.461.90000121.8
338P38.6Very low39.5Very low113 Ų113130.2 Ų130.273%0.73471%0.714SS**  -126.9141.2-53.633.1-16.7000113.4R340P338-R340 PolarHBondContact O-N 2.66Å
339A43Very low39.4Very low109 Ų109133.3 Ų133.390%0.90172%0.715SS**  trans-75.276.9-179.500000114
340R39.7Very low39.2Very low222 Ų222132.1 Ų132.184%0.83871%0.713SS**  trans-117.9-7.8169-94.9-177171.7175.5-1.6116.3P338P338-R340 PolarHBondContact O-N 2.66Å
341N41Very low39.1Very low139 Ų139129.2 Ų129.274%0.74371%0.711SS**SBendtrans-101.7-13.6-173.3-71.4-20.8000115.6Y345N341-Y345 PolarHBondContact O-N 3.17Å
342L44.5Very low39.7Very low128 Ų128134.9 Ų134.967%0.6771%0.711SS**Hα-helixtrans-81.1-34.5-174.6-156.171.2000113.6A344 Y345 I346L342-A344 VanDerWaalsContact C-N 3.32Å; L342-A344 PolarHBondContact O-N 3.46Å; L342-Y345 PolarHBondContact O-N 3.17Å; L342-I346 HydrophobicContact CG-CD1 4.45Å; L342-I346 WeakPolarHBondContact O-CG1 3.38Å; L342-I346 PolarHBondContact O-N 2.85Å; L342-I346 VanDerWaalsContact O-N 3.13Å
343Q47.4Very low40.1Very low174 Ų174139.1 Ų139.181%0.81372%0.72SS**Hα-helixtrans-67.4-32174.7-91.6177.5-9.900112.6K347Q343-K347 PolarHBondContact O-N 3.28Å
344A41Very low40.8Very low62 Ų62142.6 Ų142.651%0.51273%0.729SS.*Hα-helixtrans-70.8-31.3175.400000112.5L342 R348L342-A344 VanDerWaalsContact C-N 3.32Å; L342-A344 PolarHBondContact O-N 3.46Å; A344-R348 PolarHBondContact O-N 3.49Å
345Y40.9Very low40.8Very low150 Ų150139.2 Ų139.259%0.58872%0.719SS**Hα-helixtrans-73.4-40.6176.1-170.1-99000112.3N341 L342 R348 R349N341-Y345 PolarHBondContact O-N 3.17Å; L342-Y345 PolarHBondContact O-N 3.17Å; Y345-R348 PolarHBondContact O-N 3.01Å; Y345-R349 PolarHBondContact O-N 3.49Å
346I49.4Very low41.1Very low99 Ų99145.1 Ų145.151%0.50874%0.738SS.*Hα-helixtrans-67.4-38.1178.3-65.3168.7000111.1L342 R348 R349L342-I346 HydrophobicContact CG-CD1 4.45Å; L342-I346 WeakPolarHBondContact O-CG1 3.38Å; L342-I346 PolarHBondContact O-N 2.85Å; L342-I346 VanDerWaalsContact O-N 3.13Å; I346-R348 VanDerWaalsContact C-N 3.33Å; I346-R348 PolarHBondContact O-N 3.1Å; I346-R349 PolarHBondContact O-N 2.92Å
347K42.6Very low41.5Very low167 Ų167146.9 Ų146.973%0.72674%0.741SS**Hα-helixtrans-68.3-29.5178.3-156.9175.2-175-1790113.1Q343Q343-K347 PolarHBondContact O-N 3.28Å
348R41Very low41.8Very low194 Ų194147.6 Ų147.673%0.73274%0.737SS**Hα-helixtrans-77.7-20.2177-93.8-177178.2178.40.9114.4A344 Y345 I346A344-R348 PolarHBondContact O-N 3.49Å; Y345-R348 PolarHBondContact O-N 3.01Å; I346-R348 VanDerWaalsContact C-N 3.33Å; I346-R348 PolarHBondContact O-N 3.1Å
349R43.1Very low42Very low168 Ų168149.6 Ų149.663%0.63474%0.738SS**Hα-helixtrans-84.6-33.8-179-160.6170.3-177.6163.80.5112.6Y345 I346 S351 R352Y345-R349 PolarHBondContact O-N 3.49Å; I346-R349 PolarHBondContact O-N 2.92Å; R349-S351 VanDerWaalsContact C-N 3.27Å; R349-S351 PolarHBondContact O-N 3.13Å; R349-R352 PolarHBondContact O-N 2.93Å
350N39.3Very low42Very low134 Ų134151.9 Ų151.972%0.71773%0.728SS**THydrogen-bonded Turntrans-72.2-12.8178.1-84.1-2.6000114.9
351S41.5Very low42.1Very low103 Ų103147.6 Ų147.672%0.7272%0.721SS**THydrogen-bonded Turntrans-91.8-0.3177.4-60.30000114.3R349R349-S351 VanDerWaalsContact C-N 3.27Å; R349-S351 PolarHBondContact O-N 3.13Å
352R44.3Very low42.2Very low191 Ų191148.1 Ų148.172%0.72172%0.72SS**SBendtrans-104.5-9.8-176-92.9-171.1-113.6-173.8-5.5116.4R349R349-R352 PolarHBondContact O-N 2.93Å
353D41.4Very low42Very low142 Ų142149.6 Ų149.676%0.75972%0.723SS**SBendtrans-107.722.5-175.5-66.8-22.7000113.8
354V46.6Very low41.6Very low136 Ų136147.7 Ų147.782%0.82472%0.716SS**SBendtrans-118.769.3167.2-1710000109
355S33.3Very low41.7Very low88 Ų88154.8 Ų154.862%0.61573%0.733SS**  trans-170.9122.515951.80000110.9
356F36.7Very low41.7Very low286 Ų286155.3 Ų155.3100%1.25475%0.746SS**  trans86.60172.9-63.2-78.7000117.8

Retrieved 356 of 356 residues in 235 ms (Link to these results)

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