A0A087XEY7_POEFO Loading...

Hyperpolarization activated cyclic nucleotide gated potassium and sodium channel 2

AlphaFold DB , UniProt , Accession A0A087XEY7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 742 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
1Y77.1Confident86.4Confident214 Ų214100.1 Ų100.184%0.83947%0.465SS*.  0-72.30-172.2-102.1000111.3Q3 R4 Q5Y1-Q3 PolarHBondContact O-N 3.3Å; Y1-Q3 VanDerWaalsContact O-N 3.14Å; Y1-R4 WeakPolarHBondContact O-CB 3.29Å; Y1-R4 PolarHBondContact O-N 3.32Å; Y1-Q5 VanDerWaalsContact CE1-CD 3.44Å; Y1-Q5 HydrophobicContact CE1-CG 4.23Å; Y1-Q5 PolarHBondContact O-N 2.65Å; Y1-Q5 PolarHBondContact OH-NE2 2.79Å
2M83.1Confident86.9Confident141 Ų14191.8 Ų91.870%0.69543%0.426SS*.Hα-helixtrans-45.6-47.1-176-62.1-58.7-73.400115.5R4 Q5 F6M2-R4 PolarHBondContact O-N 3.32Å; M2-Q5 PolarHBondContact O-N 2.82Å; M2-Q5 VanDerWaalsContact O-N 3.1Å; M2-F6 PolarHBondContact O-N 3.21Å
3Q82.8Confident87.1Confident140 Ų14085.8 Ų85.865%0.65441%0.405SS*.Hα-helixtrans-57.8-32.3178.5-171.7-1786.200113.5Y1 S7 W41Y1-Q3 PolarHBondContact O-N 3.3Å; Y1-Q3 VanDerWaalsContact O-N 3.14Å; Q3-S7 WeakPolarHBondContact O-CB 3.31Å; Q3-S7 PolarHBondContact O-N 3.21Å; Q3-W41 HydrophobicContact CG-CH2 4.37Å; Q3-W41 HydrophobicContact CG-CZ2 4.45Å
4R82.6Confident87.4Confident215 Ų21584.9 Ų84.981%0.81141%0.407SS*.Hα-helixtrans-74-39.6177.2-171.7175.4175.4178.6-2.3111.2Y1 M2 S7 S8Y1-R4 WeakPolarHBondContact O-CB 3.29Å; Y1-R4 PolarHBondContact O-N 3.32Å; M2-R4 PolarHBondContact O-N 3.32Å; R4-S7 PolarHBondContact O-N 3.16Å; R4-S8 PolarHBondContact O-N 3.42Å; R4-S8 PolarHBondContact O-OG 3.45Å; R4-S8 VanDerWaalsContact O-OG 3.14Å
5Q86.2Confident87.5Confident86 Ų8683 Ų8340%0.40240%0.401SS..Hα-helixtrans-65.4-45.6174-74.3-170.8-50.200111.8Y1 M2 S7 S8 M9Y1-Q5 VanDerWaalsContact CE1-CD 3.44Å; Y1-Q5 HydrophobicContact CE1-CG 4.23Å; Y1-Q5 PolarHBondContact O-N 2.65Å; Y1-Q5 PolarHBondContact OH-NE2 2.79Å; M2-Q5 PolarHBondContact O-N 2.82Å; M2-Q5 VanDerWaalsContact O-N 3.1Å; Q5-S7 PolarHBondContact O-N 3.35Å; Q5-S8 WeakPolarHBondContact CA-OG 3.47Å; Q5-S8 PolarHBondContact O-N 2.95Å; Q5-S8 PolarHBondContact O-OG 2.69Å; Q5-M9 WeakPolarHBondContact O-CG 3.49Å; Q5-M9 PolarHBondContact O-N 3.36Å
6F85.6Confident87.4Confident76 Ų7686.8 Ų86.833%0.33341%0.414SS..Hα-helixtrans-61.8-44.6175.8-168-87.7000111.3M2 S8 M9 L10 W41 F49M2-F6 PolarHBondContact O-N 3.21Å; F6-S8 VanDerWaalsContact C-N 3.29Å; F6-S8 PolarHBondContact O-N 2.72Å; F6-M9 PolarHBondContact O-N 3.02Å; F6-L10 HydrophobicContact CD1-CD1 4.28Å; F6-L10 HydrophobicContact CD1-CD2 4.33Å; F6-L10 HydrophobicContact CD1-CG 4.18Å; F6-L10 HydrophobicContact CE1-CD1 3.97Å; F6-L10 HydrophobicContact CE1-CD2 3.72Å; F6-L10 HydrophobicContact CE1-CG 3.98Å; F6-L10 HydrophobicContact CZ-CD2 4.13Å; F6-L10 PolarHBondContact O-N 3.36Å; F6-W41 AromaticContact CD1-CE3 3.9Å; F6-W41 HydrophobicContact CD1-CE3 3.9Å; F6-W41 HydrophobicContact CD1-CH2 4.41Å; F6-W41 AromaticContact CD1-CZ3 3.38Å; F6-W41 HydrophobicContact CD1-CZ3 3.38Å; F6-W41 AromaticContact CE1-CE3 3.76Å; F6-W41 HydrophobicContact CE1-CE3 3.76Å; F6-W41 AromaticContact CE1-CZ3 3.56Å; F6-W41 HydrophobicContact CE1-CZ3 3.56Å; F6-W41 HydrophobicContact CG-CZ3 4.36Å; F6-F49 HydrophobicContact CE2-CD2 4.01Å; F6-F49 AromaticContact CE2-CE2 3.78Å; F6-F49 HydrophobicContact CE2-CE2 3.78Å; F6-F49 HydrophobicContact CZ-CD2 4.05Å; F6-F49 AromaticContact CZ-CE2 3.7Å; F6-F49 HydrophobicContact CZ-CE2 3.7Å; F6-F49 HydrophobicContact CZ-CZ 4.14Å
7S86.1Confident87.1Confident58 Ų5883.4 Ų83.441%0.40640%0.398SS..Hα-helixtrans-58.2-37.3175.1-179.40000113Q3 R4 Q5 L10 Q11Q3-S7 WeakPolarHBondContact O-CB 3.31Å; Q3-S7 PolarHBondContact O-N 3.21Å; R4-S7 PolarHBondContact O-N 3.16Å; Q5-S7 PolarHBondContact O-N 3.35Å; S7-L10 PolarHBondContact O-N 2.87Å; S7-Q11 PolarHBondContact O-NE2 3.39Å
8S88.3Confident87.1Confident64 Ų6478.8 Ų78.845%0.44838%0.376SS..Hα-helixtrans-68.5-35.2172.143.40000113.5R4 Q5 F6 L10 Q11R4-S8 PolarHBondContact O-N 3.42Å; R4-S8 PolarHBondContact O-OG 3.45Å; R4-S8 VanDerWaalsContact O-OG 3.14Å; Q5-S8 WeakPolarHBondContact CA-OG 3.47Å; Q5-S8 PolarHBondContact O-N 2.95Å; Q5-S8 PolarHBondContact O-OG 2.69Å; F6-S8 VanDerWaalsContact C-N 3.29Å; F6-S8 PolarHBondContact O-N 2.72Å; S8-L10 PolarHBondContact O-N 3.42Å; S8-Q11 WeakPolarHBondContact O-CB 3.46Å; S8-Q11 PolarHBondContact O-N 3.06Å; S8-Q11 VanDerWaalsContact O-N 3.16Å
9M92.1Very high87.2Confident82 Ų8278.3 Ų78.340%0.40438%0.375SS..Hα-helixtrans-68.1-19.6177.5-64.3-175.697.700113.4Q5 F6 Q11 S47 F49Q5-M9 WeakPolarHBondContact O-CG 3.49Å; Q5-M9 PolarHBondContact O-N 3.36Å; F6-M9 PolarHBondContact O-N 3.02Å; M9-Q11 VanDerWaalsContact C-N 3.32Å; M9-S47 WeakPolarHBondContact O-CB 3.5Å; M9-F49 HydrophobicContact CB-CB 4.06Å; M9-F49 WeakPolarHBondContact O-CB 3.49Å; M9-F49 PolarHBondContact O-N 3.37Å
10L93.4Very high87.1Confident8 Ų880.8 Ų80.84%0.04238%0.381CS..THydrogen-bonded Turntrans-80.1-11.1174.4-58.5-168.8000114F6 S7 S8 W41 I43 H44 S47 F49F6-L10 HydrophobicContact CD1-CD1 4.28Å; F6-L10 HydrophobicContact CD1-CD2 4.33Å; F6-L10 HydrophobicContact CD1-CG 4.18Å; F6-L10 HydrophobicContact CE1-CD1 3.97Å; F6-L10 HydrophobicContact CE1-CD2 3.72Å; F6-L10 HydrophobicContact CE1-CG 3.98Å; F6-L10 HydrophobicContact CZ-CD2 4.13Å; F6-L10 PolarHBondContact O-N 3.36Å; S7-L10 PolarHBondContact O-N 2.87Å; S8-L10 PolarHBondContact O-N 3.42Å; L10-W41 HydrophobicContact CD1-CE3 4.31Å; L10-I43 HydrophobicContact CD2-CG1 4.17Å; L10-H44 WeakPolarHBondContact O-CB 3.44Å; L10-H44 PolarHBondContact O-N 2.75Å; L10-S47 VanDerWaalsContact C-CB 3.42Å; L10-S47 WeakPolarHBondContact O-CB 3.27Å; L10-F49 HydrophobicContact CD2-CB 3.87Å; L10-F49 HydrophobicContact CD2-CD1 3.57Å; L10-F49 HydrophobicContact CD2-CD2 4.29Å; L10-F49 HydrophobicContact CD2-CE1 4.21Å; L10-F49 HydrophobicContact CD2-CG 3.62Å
11Q92.9Very high86.9Confident17 Ų1779.4 Ų79.48%0.07938%0.375CS..SBendtrans-96.2159.9-179.2-69.916357.300110.1S7 S8 M9 G13 Q32 V35 S47S7-Q11 PolarHBondContact O-NE2 3.39Å; S8-Q11 WeakPolarHBondContact O-CB 3.46Å; S8-Q11 PolarHBondContact O-N 3.06Å; S8-Q11 VanDerWaalsContact O-N 3.16Å; M9-Q11 VanDerWaalsContact C-N 3.32Å; Q11-G13 PolarHBondContact O-N 2.98Å; Q11-Q32 HydrophobicContact CB-CG 4.21Å; Q11-V35 HydrophobicContact CG-CB 4.23Å; Q11-V35 HydrophobicContact CG-CG1 3.81Å; Q11-S47 WeakPolarHBondContact O-CA 3.33Å; Q11-S47 VanDerWaalsContact O-CB 3.24Å; Q11-S47 WeakPolarHBondContact O-CB 3.41Å
12P92.1Very high87.4Confident0 Ų071.3 Ų71.30%034%0.344CS..PPolyproline II helixtrans-66.3120.4171.825.6-30000110.2F22 V28 E31 Q32P12-F22 HydrophobicContact CB-CE2 4.47Å; P12-V28 HydrophobicContact CB-CG1 4.45Å; P12-V28 HydrophobicContact CG-CG1 4.44Å; P12-E31 HydrophobicContact CG-CB 4.46Å; P12-E31 HydrophobicContact CG-CG 3.95Å; P12-Q32 HydrophobicContact CG-CG 4.15Å; P12-Q32 PolarHBondContact O-NE2 3.36Å
13G89.9Confident87.7Confident15 Ų1567.6 Ų67.616%0.15534%0.342CS..PPolyproline II helixtrans-69.5154.1170.700000111.4Q11 N15 S18Q11-G13 PolarHBondContact O-N 2.98Å; G13-N15 PolarHBondContact O-N 3.22Å; G13-S18 WeakPolarHBondContact O-CB 3.36Å; G13-S18 PolarHBondContact O-OG 3.45Å; G13-S18 VanDerWaalsContact O-OG 3.07Å
14V91.4Very high88.2Confident72 Ų7263.6 Ų63.644%0.43633%0.33SS..SBendtrans-81.1100.7174.6-177.40000108.5L19 Q25 V28V14-L19 HydrophobicContact CG1-CD2 4.49Å; V14-Q25 HydrophobicContact CG1-CG 4.14Å; V14-Q25 HydrophobicContact CG2-CG 4.21Å; V14-V28 HydrophobicContact CG2-CG1 4.02Å
15N88.3Confident88.7Confident57 Ų5758.4 Ų58.431%0.30531%0.314SS..SBendtrans-139.9172.4-179.464.141.4000111.3G13 F17 S18 L19G13-N15 PolarHBondContact O-N 3.22Å; N15-F17 PolarHBondContact O-N 3.32Å; N15-F17 WeakPolarHBondContact OD1-CB 3.28Å; N15-F17 PolarHBondContact OD1-N 2.88Å; N15-S18 PolarHBondContact N-OG 3.04Å; N15-S18 PolarHBondContact O-N 3.03Å; N15-S18 PolarHBondContact O-OG 3.11Å; N15-S18 PolarHBondContact OD1-N 2.8Å; N15-L19 WeakPolarHBondContact O-CG 3.45Å; N15-L19 PolarHBondContact O-N 3.38Å
16K85.8Confident89.1Confident143 Ų14362.2 Ų62.262%0.62233%0.33SS*.Hα-helixtrans-54.5-39.4-177.9-174.2-173176.2-166.20112.2R20 T196K16-R20 PolarHBondContact O-N 3.46Å; K16-T196 PolarHBondContact NZ-O 2.87Å
17F83.6Confident89.4Confident29 Ų2960.1 Ų60.113%0.12733%0.327CS..Hα-helixtrans-67.7-48.3179175.6-90000111.7N15 L19 R20 M21 Y46 I192 M195N15-F17 PolarHBondContact O-N 3.32Å; N15-F17 WeakPolarHBondContact OD1-CB 3.28Å; N15-F17 PolarHBondContact OD1-N 2.88Å; F17-L19 PolarHBondContact O-N 3.26Å; F17-R20 PolarHBondContact O-N 3.01Å; F17-R20 VanDerWaalsContact O-N 3.13Å; F17-M21 WeakPolarHBondContact O-CB 3.46Å; F17-M21 PolarHBondContact O-N 3.36Å; F17-Y46 AromaticContact CE1-CD1 3.58Å; F17-Y46 HydrophobicContact CE1-CD1 3.58Å; F17-Y46 AromaticContact CE1-CD2 3.91Å; F17-Y46 HydrophobicContact CE1-CD2 3.91Å; F17-Y46 AromaticContact CE1-CE1 3.95Å; F17-Y46 HydrophobicContact CE1-CE1 3.95Å; F17-Y46 HydrophobicContact CE1-CE2 4.28Å; F17-Y46 AromaticContact CE1-CG 3.56Å; F17-Y46 HydrophobicContact CE1-CG 3.56Å; F17-Y46 AromaticContact CZ-CD1 3.93Å; F17-Y46 HydrophobicContact CZ-CD1 3.93Å; F17-Y46 AromaticContact CZ-CE1 3.83Å; F17-Y46 HydrophobicContact CZ-CE1 3.83Å; F17-Y46 HydrophobicContact CZ-CG 4.3Å; F17-I192 HydrophobicContact CD2-CG2 4Å; F17-I192 HydrophobicContact CE2-CB 4.2Å; F17-I192 HydrophobicContact CE2-CG1 3.9Å; F17-I192 HydrophobicContact CE2-CG2 4.06Å; F17-I192 HydrophobicContact CZ-CG1 4Å; F17-M195 HydrophobicContact CD2-CB 4.29Å; F17-M195 HydrophobicContact CE2-CB 4.13Å
18S86.8Confident89.7Confident2 Ų257.4 Ų57.41%0.01431%0.307CS..Hα-helixtrans-60.9-35.2177.572.50000112.1G13 N15 M21 F22G13-S18 WeakPolarHBondContact O-CB 3.36Å; G13-S18 PolarHBondContact O-OG 3.45Å; G13-S18 VanDerWaalsContact O-OG 3.07Å; N15-S18 PolarHBondContact N-OG 3.04Å; N15-S18 PolarHBondContact O-N 3.03Å; N15-S18 PolarHBondContact O-OG 3.11Å; N15-S18 PolarHBondContact OD1-N 2.8Å; S18-M21 PolarHBondContact O-N 3.01Å; S18-F22 WeakPolarHBondContact O-CB 3.44Å; S18-F22 VanDerWaalsContact O-CD2 3.3Å; S18-F22 WeakPolarHBondContact O-CD2 3.35Å; S18-F22 PolarHBondContact O-N 3.06Å
19L88.7Confident89.9Confident69 Ų6958.2 Ų58.236%0.36130%0.304SS..Hα-helixtrans-71.6-37.1176-66.7174.4000112.2V14 N15 F17 M21 G23 Q25V14-L19 HydrophobicContact CG1-CD2 4.49Å; N15-L19 WeakPolarHBondContact O-CG 3.45Å; N15-L19 PolarHBondContact O-N 3.38Å; F17-L19 PolarHBondContact O-N 3.26Å; L19-M21 VanDerWaalsContact C-N 3.32Å; L19-G23 CarbonylContact O-C 3.57Å; L19-G23 WeakPolarHBondContact O-CA 3.47Å; L19-G23 PolarHBondContact O-N 3.09Å; L19-Q25 HydrophobicContact CD2-CB 4.32Å
20R85.3Confident89.9Confident128 Ų12861.7 Ų61.748%0.48332%0.317SS..Hα-helixtrans-66-34.8171.7-168.7176.5180159.52.6111.9K16 F17 M195 D198K16-R20 PolarHBondContact O-N 3.46Å; F17-R20 PolarHBondContact O-N 3.01Å; F17-R20 VanDerWaalsContact O-N 3.13Å; R20-M195 WeakPolarHBondContact CD-O 3.22Å; R20-M195 VanDerWaalsContact NH1-C 3.29Å; R20-M195 PolarHBondContact NH1-O 3.28Å; R20-D198 IonicContact NH1-OD1 2.99Å; R20-D198 IonicContact NH2-OD1 3.16Å
21M83.6Confident89.8Confident51 Ų5162.2 Ų62.225%0.25132%0.319SS..Hα-helixtrans-79.5-47.1-178-16971-169.300113.6F17 S18 L19 Y46 N111F17-M21 WeakPolarHBondContact O-CB 3.46Å; F17-M21 PolarHBondContact O-N 3.36Å; S18-M21 PolarHBondContact O-N 3.01Å; L19-M21 VanDerWaalsContact C-N 3.32Å; M21-Y46 HydrophobicContact CE-CE2 3.85Å; M21-Y46 HydrophobicContact CG-CD2 4.33Å; M21-Y46 HydrophobicContact CG-CE2 3.88Å; M21-Y46 HydrophobicContact SD-CE2 4.14Å; M21-N111 HydrophobicContact CE-CB 3.68Å; M21-N111 WeakPolarHBondContact CE-O 3.49Å
22F87.9Confident89.8Confident44 Ų4463.3 Ų63.319%0.19332%0.324CS..Hα-helixtrans-103.2-2.1-174.5-58.9-70.5000113.4P12 S18 S24 A27 V28 E31 H44 Y46 I114P12-F22 HydrophobicContact CB-CE2 4.47Å; S18-F22 WeakPolarHBondContact O-CB 3.44Å; S18-F22 VanDerWaalsContact O-CD2 3.3Å; S18-F22 WeakPolarHBondContact O-CD2 3.35Å; S18-F22 PolarHBondContact O-N 3.06Å; F22-S24 PolarHBondContact O-N 3Å; F22-A27 HydrophobicContact CB-CB 4.13Å; F22-A27 WeakPolarHBondContact O-CB 3.28Å; F22-V28 HydrophobicContact CB-CG2 3.99Å; F22-V28 HydrophobicContact CD2-CG2 4.01Å; F22-V28 HydrophobicContact CG-CG2 4.38Å; F22-E31 HydrophobicContact CE1-CB 4.49Å; F22-E31 HydrophobicContact CE1-CG 4.02Å; F22-E31 HydrophobicContact CZ-CG 3.93Å; F22-H44 AromaticContact CZ-CE1 3.78Å; F22-H44 AromaticContact CZ-NE2 3.86Å; F22-Y46 HydrophobicContact CE2-CD2 4.29Å; F22-Y46 HydrophobicContact CZ-CD2 4.17Å; F22-I114 HydrophobicContact CE1-CD1 4.09Å; F22-I114 HydrophobicContact CZ-CD1 3.88Å
23G89Confident89.8Confident63 Ų6369.4 Ų69.465%0.64935%0.353SS*.SBendtrans78.5-41.2175.700000115.7L19L19-G23 CarbonylContact O-C 3.57Å; L19-G23 WeakPolarHBondContact O-CA 3.47Å; L19-G23 PolarHBondContact O-N 3.09Å
24S92.4Very high89.9Confident57 Ų5773 Ų7340%0.39936%0.362SS..SBendtrans-144.6154.8-176.869.10000113.4F22 K26 A27 V28F22-S24 PolarHBondContact O-N 3Å; S24-K26 VanDerWaalsContact C-N 3.26Å; S24-K26 PolarHBondContact O-N 3.18Å; S24-A27 WeakPolarHBondContact O-CB 3.35Å; S24-A27 PolarHBondContact O-N 3.49Å; S24-A27 PolarHBondContact OG-N 2.9Å; S24-V28 PolarHBondContact O-N 3.3Å; S24-V28 VanDerWaalsContact O-N 3.07Å
25Q93.9Very high90Very high106 Ų10669.9 Ų69.950%0.49534%0.343SS..Hα-helixtrans-56-40.4176.1-177.1-178.6-34.800112.1V14 L19 A27 V28 E29V14-Q25 HydrophobicContact CG1-CG 4.14Å; V14-Q25 HydrophobicContact CG2-CG 4.21Å; L19-Q25 HydrophobicContact CD2-CB 4.32Å; Q25-A27 VanDerWaalsContact C-N 3.28Å; Q25-A27 PolarHBondContact O-N 3.02Å; Q25-V28 CarbonylContact O-C 3.57Å; Q25-V28 WeakPolarHBondContact O-CA 3.29Å; Q25-V28 WeakPolarHBondContact O-CB 3.33Å; Q25-V28 PolarHBondContact O-N 2.93Å; Q25-V28 VanDerWaalsContact O-N 3.08Å; Q25-E29 HydrophobicContact CG-CG 4.5Å; Q25-E29 WeakPolarHBondContact CG-OE1 3.19Å; Q25-E29 PolarHBondContact NE2-OE1 3.09Å; Q25-E29 WeakPolarHBondContact O-CG 3.48Å; Q25-E29 PolarHBondContact O-N 3.07Å
26K93.5Very high90Very high165 Ų16572.9 Ų72.972%0.71735%0.353SS*.Hα-helixtrans-64-31.2177.1-172173-177.4174.80113S24 K30S24-K26 VanDerWaalsContact C-N 3.26Å; S24-K26 PolarHBondContact O-N 3.18Å; K26-K30 WeakPolarHBondContact O-CB 3.25Å; K26-K30 PolarHBondContact O-N 2.75Å
27A91.9Very high90.1Very high33 Ų3370.7 Ų70.727%0.27336%0.356SS..Hα-helixtrans-71.8-38.4172.200000111.6F22 S24 Q25 K30 E31F22-A27 HydrophobicContact CB-CB 4.13Å; F22-A27 WeakPolarHBondContact O-CB 3.28Å; S24-A27 WeakPolarHBondContact O-CB 3.35Å; S24-A27 PolarHBondContact O-N 3.49Å; S24-A27 PolarHBondContact OG-N 2.9Å; Q25-A27 VanDerWaalsContact C-N 3.28Å; Q25-A27 PolarHBondContact O-N 3.02Å; A27-K30 PolarHBondContact O-N 2.9Å; A27-E31 WeakPolarHBondContact O-CB 3.4Å; A27-E31 PolarHBondContact O-N 3.32Å
28V92.8Very high90.2Very high0 Ų070.6 Ų70.60%036%0.361CS..Hα-helixtrans-61.6-44.4171.1-176.80000110.9P12 V14 F22 S24 Q25 K30 E31 Q32P12-V28 HydrophobicContact CB-CG1 4.45Å; P12-V28 HydrophobicContact CG-CG1 4.44Å; V14-V28 HydrophobicContact CG2-CG1 4.02Å; F22-V28 HydrophobicContact CB-CG2 3.99Å; F22-V28 HydrophobicContact CD2-CG2 4.01Å; F22-V28 HydrophobicContact CG-CG2 4.38Å; S24-V28 PolarHBondContact O-N 3.3Å; S24-V28 VanDerWaalsContact O-N 3.07Å; Q25-V28 CarbonylContact O-C 3.57Å; Q25-V28 WeakPolarHBondContact O-CA 3.29Å; Q25-V28 WeakPolarHBondContact O-CB 3.33Å; Q25-V28 PolarHBondContact O-N 2.93Å; Q25-V28 VanDerWaalsContact O-N 3.08Å; V28-K30 PolarHBondContact O-N 2.91Å; V28-E31 CarbonylContact O-C 3.57Å; V28-E31 WeakPolarHBondContact O-CA 3.39Å; V28-E31 WeakPolarHBondContact O-CB 3.46Å; V28-E31 PolarHBondContact O-N 3.15Å; V28-E31 VanDerWaalsContact O-N 3.11Å; V28-Q32 WeakPolarHBondContact O-CG 3.41Å; V28-Q32 PolarHBondContact O-N 3.23Å
29E92.7Very high90Very high81 Ų8171.9 Ų71.938%0.37937%0.374SS..Hα-helixtrans-61-44.2176.4-72.1165.7-174.400112Q25 E31 Q32 E33Q25-E29 HydrophobicContact CG-CG 4.5Å; Q25-E29 WeakPolarHBondContact CG-OE1 3.19Å; Q25-E29 PolarHBondContact NE2-OE1 3.09Å; Q25-E29 WeakPolarHBondContact O-CG 3.48Å; Q25-E29 PolarHBondContact O-N 3.07Å; E29-E31 VanDerWaalsContact C-N 3.28Å; E29-E31 PolarHBondContact O-N 2.71Å; E29-Q32 WeakPolarHBondContact O-CB 3.45Å; E29-Q32 PolarHBondContact O-N 2.65Å; E29-E33 PolarHBondContact O-N 2.94Å
30K92.3Very high89.7Confident155 Ų15575.1 Ų75.167%0.67439%0.392SS*.Hα-helixtrans-60.3-37.3172.6-175.2-175.6177-171.60112K26 A27 V28 E33 R34K26-K30 WeakPolarHBondContact O-CB 3.25Å; K26-K30 PolarHBondContact O-N 2.75Å; A27-K30 PolarHBondContact O-N 2.9Å; V28-K30 PolarHBondContact O-N 2.91Å; K30-E33 PolarHBondContact O-N 3.47Å; K30-R34 PolarHBondContact O-N 3Å
31E92Very high89.9Confident20 Ų2075.5 Ų75.59%0.09339%0.393CS..Hα-helixtrans-69.1-38.9174.9-176.956-15300111.9P12 F22 A27 V28 E29 E33 R34 V35 H44P12-E31 HydrophobicContact CG-CB 4.46Å; P12-E31 HydrophobicContact CG-CG 3.95Å; F22-E31 HydrophobicContact CE1-CB 4.49Å; F22-E31 HydrophobicContact CE1-CG 4.02Å; F22-E31 HydrophobicContact CZ-CG 3.93Å; A27-E31 WeakPolarHBondContact O-CB 3.4Å; A27-E31 PolarHBondContact O-N 3.32Å; V28-E31 CarbonylContact O-C 3.57Å; V28-E31 WeakPolarHBondContact O-CA 3.39Å; V28-E31 WeakPolarHBondContact O-CB 3.46Å; V28-E31 PolarHBondContact O-N 3.15Å; V28-E31 VanDerWaalsContact O-N 3.11Å; E29-E31 VanDerWaalsContact C-N 3.28Å; E29-E31 PolarHBondContact O-N 2.71Å; E31-E33 VanDerWaalsContact C-N 3.31Å; E31-E33 PolarHBondContact O-N 2.87Å; E31-R34 VanDerWaalsContact CD-NE 3.34Å; E31-R34 CarbonylContact O-C 3.57Å; E31-R34 WeakPolarHBondContact O-CA 3.31Å; E31-R34 WeakPolarHBondContact O-CB 3.43Å; E31-R34 PolarHBondContact O-N 3.13Å; E31-R34 VanDerWaalsContact O-N 3.1Å; E31-R34 IonicContact OE1-CZ 3.43Å; E31-R34 VanDerWaalsContact OE1-CZ 3.3Å; E31-R34 IonicContact OE1-NE 2.68Å; E31-R34 PolarHBondContact OE1-NE 3.25Å; E31-R34 VanDerWaalsContact OE1-NE 3.16Å; E31-R34 IonicContact OE1-NH2 3.67Å; E31-R34 PolarHBondContact OE1-NH2 2.96Å; E31-R34 IonicContact OE2-CZ 2.96Å; E31-R34 IonicContact OE2-NE 3.67Å; E31-R34 PolarHBondContact OE2-NE 3.26Å; E31-R34 IonicContact OE2-NH2 2.88Å; E31-R34 PolarHBondContact OE2-NH2 2.86Å; E31-V35 WeakPolarHBondContact O-CG2 3.19Å; E31-V35 PolarHBondContact O-N 2.9Å; E31-H44 IonicContact OE1-CD2 3.44Å; E31-H44 PolarHBondContact OE1-CD2 3.01Å; E31-H44 IonicContact OE1-NE2 3.61Å; E31-H44 PolarHBondContact OE1-NE2 3.23Å
32Q92.4Very high90.3Very high39 Ų3973.3 Ų73.318%0.18238%0.382CS..Hα-helixtrans-60.4-38.9171.7-66.5174.50.100111.9Q11 P12 V28 E29 V35 K36Q11-Q32 HydrophobicContact CB-CG 4.21Å; P12-Q32 HydrophobicContact CG-CG 4.15Å; P12-Q32 PolarHBondContact O-NE2 3.36Å; V28-Q32 WeakPolarHBondContact O-CG 3.41Å; V28-Q32 PolarHBondContact O-N 3.23Å; E29-Q32 WeakPolarHBondContact O-CB 3.45Å; E29-Q32 PolarHBondContact O-N 2.65Å; Q32-V35 PolarHBondContact O-N 3.42Å; Q32-K36 WeakPolarHBondContact O-CD 3.5Å; Q32-K36 VanDerWaalsContact O-CG 3.24Å; Q32-K36 WeakPolarHBondContact O-CG 2.94Å; Q32-K36 PolarHBondContact O-N 3.45Å
33E91.8Very high90.7Very high128 Ų12871.4 Ų71.460%0.59837%0.374SS*.Hα-helixtrans-65.4-37.8171.8-69-176.5162.300112.7E29 K30 E31 K36 S37E29-E33 PolarHBondContact O-N 2.94Å; K30-E33 PolarHBondContact O-N 3.47Å; E31-E33 VanDerWaalsContact C-N 3.31Å; E31-E33 PolarHBondContact O-N 2.87Å; E33-K36 PolarHBondContact O-N 2.93Å; E33-S37 PolarHBondContact O-N 3.32Å; E33-S37 PolarHBondContact O-OG 2.82Å
34R92.4Very high90.9Very high91 Ų9168.4 Ų68.434%0.34334%0.343SS..Hα-helixtrans-64.2-40.1173.8-159.5-18069.6104.90.1112K30 E31 S37 A38 I114 L116K30-R34 PolarHBondContact O-N 3Å; E31-R34 VanDerWaalsContact CD-NE 3.34Å; E31-R34 CarbonylContact O-C 3.57Å; E31-R34 WeakPolarHBondContact O-CA 3.31Å; E31-R34 WeakPolarHBondContact O-CB 3.43Å; E31-R34 PolarHBondContact O-N 3.13Å; E31-R34 VanDerWaalsContact O-N 3.1Å; E31-R34 IonicContact OE1-CZ 3.43Å; E31-R34 VanDerWaalsContact OE1-CZ 3.3Å; E31-R34 IonicContact OE1-NE 2.68Å; E31-R34 PolarHBondContact OE1-NE 3.25Å; E31-R34 VanDerWaalsContact OE1-NE 3.16Å; E31-R34 IonicContact OE1-NH2 3.67Å; E31-R34 PolarHBondContact OE1-NH2 2.96Å; E31-R34 IonicContact OE2-CZ 2.96Å; E31-R34 IonicContact OE2-NE 3.67Å; E31-R34 PolarHBondContact OE2-NE 3.26Å; E31-R34 IonicContact OE2-NH2 2.88Å; E31-R34 PolarHBondContact OE2-NH2 2.86Å; R34-S37 WeakPolarHBondContact CA-OG 3.49Å; R34-S37 PolarHBondContact O-N 2.86Å; R34-S37 PolarHBondContact O-OG 3.36Å; R34-S37 VanDerWaalsContact O-OG 3.12Å; R34-A38 WeakPolarHBondContact O-CB 3.43Å; R34-A38 PolarHBondContact O-N 3.06Å; R34-I114 VanDerWaalsContact CZ-O 3.31Å; R34-I114 PolarHBondContact NH1-O 3.18Å; R34-I114 PolarHBondContact NH2-O 2.75Å; R34-L116 HydrophobicContact CG-CD1 4.35Å; R34-L116 VanDerWaalsContact CZ-CD1 3.46Å
35V92Very high90.8Very high7 Ų766.1 Ų66.14%0.04233%0.327CS..Hα-helixtrans-63.8-44.8173.1175.20000111.4Q11 E31 Q32 S37 A38 H44 L116Q11-V35 HydrophobicContact CG-CB 4.23Å; Q11-V35 HydrophobicContact CG-CG1 3.81Å; E31-V35 WeakPolarHBondContact O-CG2 3.19Å; E31-V35 PolarHBondContact O-N 2.9Å; Q32-V35 PolarHBondContact O-N 3.42Å; V35-S37 VanDerWaalsContact C-N 3.26Å; V35-S37 PolarHBondContact O-N 2.81Å; V35-A38 PolarHBondContact O-N 3.5Å; V35-H44 HydrophobicContact CG2-CB 3.94Å; V35-L116 HydrophobicContact CB-CD1 4.31Å; V35-L116 HydrophobicContact CG2-CD1 3.58Å
36K88.9Confident90.5Very high120 Ų12062.6 Ų62.652%0.52231%0.309SS..Hα-helixtrans-60.9-33.4176.8-69.9163.1-158.6160.20112.9Q32 E33Q32-K36 WeakPolarHBondContact O-CD 3.5Å; Q32-K36 VanDerWaalsContact O-CG 3.24Å; Q32-K36 WeakPolarHBondContact O-CG 2.94Å; Q32-K36 PolarHBondContact O-N 3.45Å; E33-K36 PolarHBondContact O-N 2.93Å
37S89.1Confident90.5Very high96 Ų9654.8 Ų54.867%0.67128%0.276SS*.Hα-helixtrans-89.7-17.2-179510000114.5E33 R34 V35 G39E33-S37 PolarHBondContact O-N 3.32Å; E33-S37 PolarHBondContact O-OG 2.82Å; R34-S37 WeakPolarHBondContact CA-OG 3.49Å; R34-S37 PolarHBondContact O-N 2.86Å; R34-S37 PolarHBondContact O-OG 3.36Å; R34-S37 VanDerWaalsContact O-OG 3.12Å; V35-S37 VanDerWaalsContact C-N 3.26Å; V35-S37 PolarHBondContact O-N 2.81Å; S37-G39 VanDerWaalsContact C-N 3.34Å; S37-G39 PolarHBondContact O-N 3.19Å
38A85.5Confident90.4Very high28 Ų2856 Ų5623%0.23128%0.278CS..Hα-helixtrans-69-27-179.700000114.3R34 V35 L116R34-A38 WeakPolarHBondContact O-CB 3.43Å; R34-A38 PolarHBondContact O-N 3.06Å; V35-A38 PolarHBondContact O-N 3.5Å; A38-L116 HydrophobicContact CB-CB 3.57Å; A38-L116 HydrophobicContact CB-CD1 4.27Å
39G81Confident90.4Very high29 Ų2957.7 Ų57.730%0.29929%0.285SS..  trans145.3173.3172.800000114.5S37 W41S37-G39 VanDerWaalsContact C-N 3.34Å; S37-G39 PolarHBondContact O-N 3.19Å; G39-W41 PolarHBondContact O-N 2.64Å
40N84Confident90.4Very high136 Ų13654.2 Ų54.273%0.72727%0.268SS*.THydrogen-bonded Turntrans-67.2123.3-175.8-60.90.5000111.3R103N40-R103 PolarHBondContact O-NH1 3.07Å
41W87.9Confident90.2Very high137 Ų13750.9 Ų50.952%0.51925%0.254SS..THydrogen-bonded Turntrans58.153.2176.9-47.683.4000113.3Q3 F6 L10 G39Q3-W41 HydrophobicContact CG-CH2 4.37Å; Q3-W41 HydrophobicContact CG-CZ2 4.45Å; F6-W41 AromaticContact CD1-CE3 3.9Å; F6-W41 HydrophobicContact CD1-CE3 3.9Å; F6-W41 HydrophobicContact CD1-CH2 4.41Å; F6-W41 AromaticContact CD1-CZ3 3.38Å; F6-W41 HydrophobicContact CD1-CZ3 3.38Å; F6-W41 AromaticContact CE1-CE3 3.76Å; F6-W41 HydrophobicContact CE1-CE3 3.76Å; F6-W41 AromaticContact CE1-CZ3 3.56Å; F6-W41 HydrophobicContact CE1-CZ3 3.56Å; F6-W41 HydrophobicContact CG-CZ3 4.36Å; L10-W41 HydrophobicContact CD1-CE3 4.31Å; G39-W41 PolarHBondContact O-N 2.64Å
42I93.4Very high90.1Very high4 Ų456.5 Ų56.52%0.02128%0.275CS..  trans-93.4137166-65.2-66.5000109.2L116 P118I42-L116 HydrophobicContact CG2-CB 4.35Å; I42-L116 HydrophobicContact CG2-CD2 4.14Å; I42-P118 HydrophobicContact CD1-CB 4.17Å; I42-P118 HydrophobicContact CD1-CG 3.76Å; I42-P118 HydrophobicContact CG1-CG 4.28Å
43I94.9Very high90.2Very high5 Ų555.8 Ų55.83%0.02627%0.271CS..BIsolated β-bridgetrans-104.2117.4-174.8-49.7170.9000107L10 F49 R50 L100 R103 T104 G105L10-I43 HydrophobicContact CD2-CG1 4.17Å; I43-F49 HydrophobicContact CD1-CD1 4.43Å; I43-F49 HydrophobicContact CD1-CE1 4.07Å; I43-F49 HydrophobicContact CG2-CD1 4.03Å; I43-R50 HydrophobicContact CG2-CB 3.96Å; I43-L100 HydrophobicContact CD1-CB 4.08Å; I43-L100 HydrophobicContact CD1-CD2 3.65Å; I43-L100 HydrophobicContact CD1-CG 4.42Å; I43-R103 HydrophobicContact CD1-CB 4.1Å; I43-R103 HydrophobicContact CG1-CB 4.2Å; I43-R103 PolarHBondContact N-O 3.1Å; I43-T104 WeakPolarHBondContact O-CA 3.26Å; I43-G105 PolarHBondContact O-N 2.86Å
44H93.1Very high90.1Very high0 Ų049.8 Ų49.80%024%0.243CC..  trans-71.6136.7173.7-173-92.9000109.7L10 F22 E31 V35 Y46 S47L10-H44 WeakPolarHBondContact O-CB 3.44Å; L10-H44 PolarHBondContact O-N 2.75Å; F22-H44 AromaticContact CZ-CE1 3.78Å; F22-H44 AromaticContact CZ-NE2 3.86Å; E31-H44 IonicContact OE1-CD2 3.44Å; E31-H44 PolarHBondContact OE1-CD2 3.01Å; E31-H44 IonicContact OE1-NE2 3.61Å; E31-H44 PolarHBondContact OE1-NE2 3.23Å; V35-H44 HydrophobicContact CG2-CB 3.94Å; H44-Y46 AromaticContact CE1-CD2 3.65Å; H44-Y46 PolarHBondContact ND1-N 3.17Å; H44-Y46 PolarHBondContact O-N 2.96Å; H44-S47 WeakPolarHBondContact O-CB 3.27Å; H44-S47 PolarHBondContact O-N 3.46Å; H44-S47 PolarHBondContact O-OG 2.9Å
45P90.3Very high89.9Confident9 Ų950 Ų506%0.05825%0.247CC..THydrogen-bonded Turntrans-60.7-32.5-176.121.7-32.8000113T104 V107 I114P45-T104 HydrophobicContact CB-CG2 4.48Å; P45-V107 HydrophobicContact CB-CG2 4.06Å; P45-V107 HydrophobicContact CG-CG2 3.72Å; P45-I114 HydrophobicContact CG-CG2 3.83Å
46Y88.9Confident89.8Confident31 Ų3152.1 Ų52.112%0.12226%0.26CS..THydrogen-bonded Turntrans-98.334.6174.7-44.6-48.4000113F17 M21 F22 H44 V107 I114F17-Y46 AromaticContact CE1-CD1 3.58Å; F17-Y46 HydrophobicContact CE1-CD1 3.58Å; F17-Y46 AromaticContact CE1-CD2 3.91Å; F17-Y46 HydrophobicContact CE1-CD2 3.91Å; F17-Y46 AromaticContact CE1-CE1 3.95Å; F17-Y46 HydrophobicContact CE1-CE1 3.95Å; F17-Y46 HydrophobicContact CE1-CE2 4.28Å; F17-Y46 AromaticContact CE1-CG 3.56Å; F17-Y46 HydrophobicContact CE1-CG 3.56Å; F17-Y46 AromaticContact CZ-CD1 3.93Å; F17-Y46 HydrophobicContact CZ-CD1 3.93Å; F17-Y46 AromaticContact CZ-CE1 3.83Å; F17-Y46 HydrophobicContact CZ-CE1 3.83Å; F17-Y46 HydrophobicContact CZ-CG 4.3Å; M21-Y46 HydrophobicContact CE-CE2 3.85Å; M21-Y46 HydrophobicContact CG-CD2 4.33Å; M21-Y46 HydrophobicContact CG-CE2 3.88Å; M21-Y46 HydrophobicContact SD-CE2 4.14Å; F22-Y46 HydrophobicContact CE2-CD2 4.29Å; F22-Y46 HydrophobicContact CZ-CD2 4.17Å; H44-Y46 AromaticContact CE1-CD2 3.65Å; H44-Y46 PolarHBondContact ND1-N 3.17Å; H44-Y46 PolarHBondContact O-N 2.96Å; Y46-V107 HydrophobicContact CE1-CG2 4.36Å; Y46-V107 HydrophobicContact CE2-CG2 4.44Å; Y46-I114 HydrophobicContact CD2-CD1 4.13Å; Y46-I114 HydrophobicContact CE2-CD1 3.8Å
47S92.1Very high89.9Confident1 Ų146.4 Ų46.41%0.00724%0.235CC..SBendtrans-88.5150.317362.50000111.3M9 L10 Q11 H44 F49 R50 F51M9-S47 WeakPolarHBondContact O-CB 3.5Å; L10-S47 VanDerWaalsContact C-CB 3.42Å; L10-S47 WeakPolarHBondContact O-CB 3.27Å; Q11-S47 WeakPolarHBondContact O-CA 3.33Å; Q11-S47 VanDerWaalsContact O-CB 3.24Å; Q11-S47 WeakPolarHBondContact O-CB 3.41Å; H44-S47 WeakPolarHBondContact O-CB 3.27Å; H44-S47 PolarHBondContact O-N 3.46Å; H44-S47 PolarHBondContact O-OG 2.9Å; S47-F49 PolarHBondContact O-N 3.13Å; S47-R50 PolarHBondContact O-N 2.67Å; S47-R50 VanDerWaalsContact O-N 3.09Å; S47-R50 WeakPolarHBondContact OG-CB 3.47Å; S47-R50 PolarHBondContact OG-N 2.86Å; S47-F51 PolarHBondContact O-N 3.05Å
48D90.3Very high89.9Confident59 Ų5943.3 Ų43.332%0.31621%0.211SC..Hα-helixtrans-61.9-35.1178.2-57-38.2000110.8F51 Y52D48-F51 PolarHBondContact O-N 3.4Å; D48-Y52 HydrophobicContact CB-CE2 4.39Å; D48-Y52 WeakPolarHBondContact O-CD2 3.37Å; D48-Y52 PolarHBondContact O-N 3.19Å
49F94.1Very high90Very high36 Ų3646.7 Ų46.716%0.15822%0.223CC..Hα-helixtrans-58.8-48.7171.9177.6-95.6000112.1F6 M9 L10 I43 S47 F51 Y52 W53 L100F6-F49 HydrophobicContact CE2-CD2 4.01Å; F6-F49 AromaticContact CE2-CE2 3.78Å; F6-F49 HydrophobicContact CE2-CE2 3.78Å; F6-F49 HydrophobicContact CZ-CD2 4.05Å; F6-F49 AromaticContact CZ-CE2 3.7Å; F6-F49 HydrophobicContact CZ-CE2 3.7Å; F6-F49 HydrophobicContact CZ-CZ 4.14Å; M9-F49 HydrophobicContact CB-CB 4.06Å; M9-F49 WeakPolarHBondContact O-CB 3.49Å; M9-F49 PolarHBondContact O-N 3.37Å; L10-F49 HydrophobicContact CD2-CB 3.87Å; L10-F49 HydrophobicContact CD2-CD1 3.57Å; L10-F49 HydrophobicContact CD2-CD2 4.29Å; L10-F49 HydrophobicContact CD2-CE1 4.21Å; L10-F49 HydrophobicContact CD2-CG 3.62Å; I43-F49 HydrophobicContact CD1-CD1 4.43Å; I43-F49 HydrophobicContact CD1-CE1 4.07Å; I43-F49 HydrophobicContact CG2-CD1 4.03Å; S47-F49 PolarHBondContact O-N 3.13Å; F49-F51 VanDerWaalsContact C-N 3.33Å; F49-F51 PolarHBondContact O-N 3.28Å; F49-Y52 PolarHBondContact O-N 3.44Å; F49-W53 HydrophobicContact CE1-CB 4.44Å; F49-W53 WeakPolarHBondContact O-CB 3.24Å; F49-W53 PolarHBondContact O-N 3.4Å; F49-L100 HydrophobicContact CE1-CD1 4.42Å; F49-L100 HydrophobicContact CE1-CD2 4.38Å; F49-L100 HydrophobicContact CZ-CD1 4.42Å
50R91.4Very high90.4Very high7 Ų748.5 Ų48.53%0.02622%0.223CC..Hα-helixtrans-64-40.8-179.8-174.567.9-159.2-170.321111I43 S47 W53 D54 D97 N101 T104 Y185I43-R50 HydrophobicContact CG2-CB 3.96Å; S47-R50 PolarHBondContact O-N 2.67Å; S47-R50 VanDerWaalsContact O-N 3.09Å; S47-R50 WeakPolarHBondContact OG-CB 3.47Å; S47-R50 PolarHBondContact OG-N 2.86Å; R50-W53 PolarHBondContact O-N 2.73Å; R50-D54 WeakPolarHBondContact CG-OD2 3.5Å; R50-D54 IonicContact CZ-OD1 2.7Å; R50-D54 IonicContact CZ-OD2 3.75Å; R50-D54 IonicContact NE-OD1 3.07Å; R50-D54 PolarHBondContact NE-OD1 3.37Å; R50-D54 IonicContact NE-OD2 2.67Å; R50-D54 PolarHBondContact NE-OD2 3.17Å; R50-D54 IonicContact NH2-OD1 3.77Å; R50-D54 PolarHBondContact NH2-OD1 2.92Å; R50-D54 IonicContact NH2-OD2 2.75Å; R50-D54 WeakPolarHBondContact O-CB 3.28Å; R50-D54 VanDerWaalsContact O-CG 3.32Å; R50-D54 PolarHBondContact O-N 2.92Å; R50-D97 IonicContact NH2-OD1 2.69Å; R50-N101 PolarHBondContact NH1-OD1 2.91Å; R50-N101 PolarHBondContact NH2-OD1 2.98Å; R50-T104 HydrophobicContact CG-CG2 4.38Å; R50-T104 PolarHBondContact NH1-OG1 2.81Å; R50-Y185 PolarHBondContact NH2-OH 3.45Å; R50-Y185 VanDerWaalsContact NH2-OH 3.15Å
51F88.5Confident90.7Very high85 Ų8542 Ų4237%0.37319%0.188SC..Hα-helixtrans-57.6-53.5175.7178-89.5000112.5S47 D48 F49 W53 D54 F55 W189S47-F51 PolarHBondContact O-N 3.05Å; D48-F51 PolarHBondContact O-N 3.4Å; F49-F51 VanDerWaalsContact C-N 3.33Å; F49-F51 PolarHBondContact O-N 3.28Å; F51-W53 VanDerWaalsContact C-N 3.33Å; F51-W53 PolarHBondContact O-N 2.86Å; F51-D54 PolarHBondContact O-N 3.22Å; F51-F55 WeakPolarHBondContact O-CB 3.3Å; F51-F55 PolarHBondContact O-N 2.77Å; F51-W189 HydrophobicContact CD1-CH2 4.23Å; F51-W189 AromaticContact CD2-CH2 3.54Å; F51-W189 HydrophobicContact CD2-CH2 3.54Å; F51-W189 HydrophobicContact CD2-CZ2 4.11Å; F51-W189 AromaticContact CD2-CZ3 3.92Å; F51-W189 HydrophobicContact CD2-CZ3 3.92Å; F51-W189 AromaticContact CE1-CH2 3.93Å; F51-W189 HydrophobicContact CE1-CH2 3.93Å; F51-W189 HydrophobicContact CE1-CZ3 4.46Å; F51-W189 HydrophobicContact CE2-CE3 4.18Å; F51-W189 AromaticContact CE2-CH2 3.21Å; F51-W189 HydrophobicContact CE2-CH2 3.21Å; F51-W189 HydrophobicContact CE2-CZ2 4.19Å; F51-W189 AromaticContact CE2-CZ3 3.2Å; F51-W189 HydrophobicContact CE2-CZ3 3.2Å; F51-W189 HydrophobicContact CG-CH2 4.06Å; F51-W189 AromaticContact CZ-CH2 3.42Å; F51-W189 HydrophobicContact CZ-CH2 3.42Å; F51-W189 VanDerWaalsContact CZ-CH2 3.42Å; F51-W189 AromaticContact CZ-CZ3 3.53Å; F51-W189 HydrophobicContact CZ-CZ3 3.53Å; F51-W189 WeakPolarHBondContact O-CZ2 3.35Å
52Y91.1Very high90.8Very high138 Ų13838.6 Ų38.654%0.54118%0.182SC..Hα-helixtrans-68.1-33.2178.8-70.6-61.1000112.8D48 F49 T56D48-Y52 HydrophobicContact CB-CE2 4.39Å; D48-Y52 WeakPolarHBondContact O-CD2 3.37Å; D48-Y52 PolarHBondContact O-N 3.19Å; F49-Y52 PolarHBondContact O-N 3.44Å; Y52-T56 WeakPolarHBondContact O-CB 3.43Å; Y52-T56 PolarHBondContact O-N 3.47Å; Y52-T56 PolarHBondContact O-OG1 2.94Å
53W92.9Very high90.8Very high25 Ų2539.6 Ų39.610%0.09519%0.193CC..Hα-helixtrans-62.8-50.7173.6-179.7-98.9000111.3F49 R50 F51 F55 T56 M57 F93 M96 D97 L100F49-W53 HydrophobicContact CE1-CB 4.44Å; F49-W53 WeakPolarHBondContact O-CB 3.24Å; F49-W53 PolarHBondContact O-N 3.4Å; R50-W53 PolarHBondContact O-N 2.73Å; F51-W53 VanDerWaalsContact C-N 3.33Å; F51-W53 PolarHBondContact O-N 2.86Å; W53-F55 VanDerWaalsContact C-N 3.33Å; W53-F55 PolarHBondContact O-N 3.36Å; W53-T56 WeakPolarHBondContact O-CB 3.43Å; W53-T56 PolarHBondContact O-N 3.09Å; W53-T56 VanDerWaalsContact O-N 3.16Å; W53-M57 HydrophobicContact CD2-CG 4.28Å; W53-M57 HydrophobicContact CH2-SD 4.15Å; W53-M57 HydrophobicContact CZ2-CG 3.86Å; W53-M57 HydrophobicContact CZ2-SD 3.59Å; W53-M57 VanDerWaalsContact CZ2-SD 3.59Å; W53-M57 WeakPolarHBondContact O-CB 3.41Å; W53-M57 WeakPolarHBondContact O-CG 3.48Å; W53-M57 PolarHBondContact O-N 3.4Å; W53-F93 AromaticContact CH2-CD1 3.85Å; W53-F93 HydrophobicContact CH2-CD1 3.85Å; W53-F93 HydrophobicContact CH2-CE1 4.34Å; W53-F93 HydrophobicContact CZ3-CD1 4.28Å; W53-F93 HydrophobicContact CZ3-CE1 4.33Å; W53-M96 HydrophobicContact CH2-CB 4.2Å; W53-M96 HydrophobicContact CH2-CE 3.51Å; W53-M96 HydrophobicContact CH2-CG 3.82Å; W53-M96 HydrophobicContact CH2-SD 4.34Å; W53-M96 HydrophobicContact CZ2-CB 4.41Å; W53-M96 HydrophobicContact CZ2-CG 4.17Å; W53-M96 HydrophobicContact CZ3-CE 3.79Å; W53-D97 HydrophobicContact CZ2-CB 3.86Å; W53-D97 PolarHBondContact NE1-OD1 3.14Å; W53-L100 HydrophobicContact CD2-CD1 3.71Å; W53-L100 VanDerWaalsContact CE2-CD1 3.41Å; W53-L100 HydrophobicContact CE3-CD1 4.17Å; W53-L100 HydrophobicContact CG-CD1 4.26Å; W53-L100 HydrophobicContact CH2-CD1 4.16Å; W53-L100 HydrophobicContact CZ2-CD1 3.66Å; W53-L100 HydrophobicContact CZ3-CD1 4.38Å
54D89.3Confident90.6Very high2 Ų239.4 Ų39.41%0.01119%0.192CC..Hα-helixtrans-64.8-36.5179.4-72.5-23.2000112.1R50 F51 M57 L58 W189R50-D54 WeakPolarHBondContact CG-OD2 3.5Å; R50-D54 IonicContact CZ-OD1 2.7Å; R50-D54 IonicContact CZ-OD2 3.75Å; R50-D54 IonicContact NE-OD1 3.07Å; R50-D54 PolarHBondContact NE-OD1 3.37Å; R50-D54 IonicContact NE-OD2 2.67Å; R50-D54 PolarHBondContact NE-OD2 3.17Å; R50-D54 IonicContact NH2-OD1 3.77Å; R50-D54 PolarHBondContact NH2-OD1 2.92Å; R50-D54 IonicContact NH2-OD2 2.75Å; R50-D54 WeakPolarHBondContact O-CB 3.28Å; R50-D54 VanDerWaalsContact O-CG 3.32Å; R50-D54 PolarHBondContact O-N 2.92Å; F51-D54 PolarHBondContact O-N 3.22Å; D54-M57 PolarHBondContact O-N 2.9Å; D54-L58 VanDerWaalsContact O-CB 3.25Å; D54-L58 WeakPolarHBondContact O-CB 3.33Å; D54-L58 PolarHBondContact O-N 2.97Å; D54-W189 HydrophobicContact CB-CZ2 4.31Å
55F88.9Confident90.5Very high95 Ų9539.4 Ų39.442%0.41719%0.192SC..Hα-helixtrans-63.7-43.4172.6-177.3-97.6000111.9F51 W53 L58 M59 W189F51-F55 WeakPolarHBondContact O-CB 3.3Å; F51-F55 PolarHBondContact O-N 2.77Å; W53-F55 VanDerWaalsContact C-N 3.33Å; W53-F55 PolarHBondContact O-N 3.36Å; F55-L58 WeakPolarHBondContact O-CB 3.45Å; F55-L58 PolarHBondContact O-N 3.16Å; F55-M59 HydrophobicContact CE1-CG 4.14Å; F55-M59 HydrophobicContact CE2-CE 4.23Å; F55-M59 HydrophobicContact CZ-CE 4.35Å; F55-M59 HydrophobicContact CZ-CG 4.29Å; F55-M59 HydrophobicContact CZ-SD 4.43Å; F55-M59 WeakPolarHBondContact O-CG 3.48Å; F55-M59 PolarHBondContact O-N 2.93Å; F55-M59 VanDerWaalsContact O-N 3.1Å; F55-W189 HydrophobicContact CB-CH2 3.93Å; F55-W189 HydrophobicContact CB-CZ2 3.81Å; F55-W189 HydrophobicContact CD2-CH2 4.12Å; F55-W189 HydrophobicContact CG-CH2 4.48Å
56T90.9Very high90.7Very high52 Ų5242.6 Ų42.632%0.31921%0.208SC..Hα-helixtrans-64-46.8176.6-57.70000110.6Y52 W53 L58 M59 F60Y52-T56 WeakPolarHBondContact O-CB 3.43Å; Y52-T56 PolarHBondContact O-N 3.47Å; Y52-T56 PolarHBondContact O-OG1 2.94Å; W53-T56 WeakPolarHBondContact O-CB 3.43Å; W53-T56 PolarHBondContact O-N 3.09Å; W53-T56 VanDerWaalsContact O-N 3.16Å; T56-L58 VanDerWaalsContact C-N 3.31Å; T56-L58 PolarHBondContact O-N 2.89Å; T56-M59 PolarHBondContact O-N 3.42Å; T56-F60 HydrophobicContact CG2-CD2 3.82Å; T56-F60 HydrophobicContact CG2-CE2 3.88Å; T56-F60 WeakPolarHBondContact O-CD2 3.44Å; T56-F60 PolarHBondContact O-N 3.04Å
57M89.8Confident90.8Very high0 Ų044.5 Ų44.50%022%0.22CC..Hα-helixtrans-62.1-36175.8-72.4-56.2-59.100112.4W53 D54 M61 F93 F94 D97 Y185W53-M57 HydrophobicContact CD2-CG 4.28Å; W53-M57 HydrophobicContact CH2-SD 4.15Å; W53-M57 HydrophobicContact CZ2-CG 3.86Å; W53-M57 HydrophobicContact CZ2-SD 3.59Å; W53-M57 VanDerWaalsContact CZ2-SD 3.59Å; W53-M57 WeakPolarHBondContact O-CB 3.41Å; W53-M57 WeakPolarHBondContact O-CG 3.48Å; W53-M57 PolarHBondContact O-N 3.4Å; D54-M57 PolarHBondContact O-N 2.9Å; M57-M61 WeakPolarHBondContact O-CB 3.23Å; M57-M61 PolarHBondContact O-N 3.07Å; M57-F93 HydrophobicContact SD-CB 4.34Å; M57-F93 HydrophobicContact SD-CD1 4.45Å; M57-F94 HydrophobicContact CE-CD1 3.42Å; M57-F94 VanDerWaalsContact CE-CD1 3.42Å; M57-F94 HydrophobicContact CE-CE1 3.41Å; M57-F94 VanDerWaalsContact CE-CE1 3.41Å; M57-F94 HydrophobicContact CE-CG 4.05Å; M57-F94 HydrophobicContact CE-CZ 4.03Å; M57-D97 HydrophobicContact CE-CB 3.81Å; M57-D97 HydrophobicContact CG-CB 4.42Å; M57-D97 HydrophobicContact SD-CB 4.12Å; M57-Y185 HydrophobicContact CB-CE2 4.06Å
58L88.6Confident90.8Very high30 Ų3044.5 Ų44.516%0.15722%0.22CC..Hα-helixtrans-60.9-49.3173.7178.665000111.1D54 F55 T56 M61 V62 L182 I186D54-L58 VanDerWaalsContact O-CB 3.25Å; D54-L58 WeakPolarHBondContact O-CB 3.33Å; D54-L58 PolarHBondContact O-N 2.97Å; F55-L58 WeakPolarHBondContact O-CB 3.45Å; F55-L58 PolarHBondContact O-N 3.16Å; T56-L58 VanDerWaalsContact C-N 3.31Å; T56-L58 PolarHBondContact O-N 2.89Å; L58-M61 PolarHBondContact O-N 3.22Å; L58-V62 HydrophobicContact CD1-CG2 4.33Å; L58-V62 WeakPolarHBondContact O-CG2 3.3Å; L58-V62 PolarHBondContact O-N 3.42Å; L58-L182 HydrophobicContact CD1-CD1 3.29Å; L58-I186 HydrophobicContact CD1-CG1 4.42Å
59M88.9Confident90.9Very high99 Ų9942 Ų4249%0.48821%0.206SC..Hα-helixtrans-61.8-47.7177.6-65.5-60.6106.100111.9F55 T56 M61 G63F55-M59 HydrophobicContact CE1-CG 4.14Å; F55-M59 HydrophobicContact CE2-CE 4.23Å; F55-M59 HydrophobicContact CZ-CE 4.35Å; F55-M59 HydrophobicContact CZ-CG 4.29Å; F55-M59 HydrophobicContact CZ-SD 4.43Å; F55-M59 WeakPolarHBondContact O-CG 3.48Å; F55-M59 PolarHBondContact O-N 2.93Å; F55-M59 VanDerWaalsContact O-N 3.1Å; T56-M59 PolarHBondContact O-N 3.42Å; M59-M61 VanDerWaalsContact C-N 3.31Å; M59-M61 PolarHBondContact O-N 3.43Å; M59-G63 PolarHBondContact O-N 2.65Å
60F89.6Confident90.8Very high68 Ų6841.1 Ų41.130%0.29820%0.204SC..Hα-helixtrans-59.6-42.1175.4-91.7-78.8000111.9T56 G63 N64 F93T56-F60 HydrophobicContact CG2-CD2 3.82Å; T56-F60 HydrophobicContact CG2-CE2 3.88Å; T56-F60 WeakPolarHBondContact O-CD2 3.44Å; T56-F60 PolarHBondContact O-N 3.04Å; F60-G63 PolarHBondContact O-N 3.12Å; F60-N64 WeakPolarHBondContact O-CB 3.3Å; F60-N64 PolarHBondContact O-N 2.92Å; F60-N64 PolarHBondContact O-ND2 2.92Å; F60-F93 HydrophobicContact CD2-CD1 4.43Å; F60-F93 HydrophobicContact CE2-CD1 4.21Å; F60-F93 HydrophobicContact CE2-CE1 4Å; F60-F93 HydrophobicContact CE2-CZ 4.2Å; F60-F93 HydrophobicContact CZ-CD2 4.42Å; F60-F93 HydrophobicContact CZ-CE1 4.42Å; F60-F93 HydrophobicContact CZ-CE2 4.21Å; F60-F93 HydrophobicContact CZ-CZ 4.21Å
61M89.6Confident90.8Very high0 Ų040.8 Ų40.80%020%0.203CC..Hα-helixtrans-68.8-46.1-177.9-176.4157.146.800112.2M57 L58 M59 G63 N64 L65 F94 R178 R181 L182 Y185M57-M61 WeakPolarHBondContact O-CB 3.23Å; M57-M61 PolarHBondContact O-N 3.07Å; L58-M61 PolarHBondContact O-N 3.22Å; M59-M61 VanDerWaalsContact C-N 3.31Å; M59-M61 PolarHBondContact O-N 3.43Å; M61-G63 VanDerWaalsContact C-N 3.33Å; M61-G63 PolarHBondContact O-N 2.63Å; M61-N64 PolarHBondContact O-N 3.14Å; M61-L65 HydrophobicContact CG-CD1 4.21Å; M61-L65 HydrophobicContact CG-CG 4.3Å; M61-L65 VanDerWaalsContact O-CG 3.3Å; M61-L65 WeakPolarHBondContact O-CG 3.17Å; M61-L65 PolarHBondContact O-N 3.46Å; M61-F94 HydrophobicContact CB-CE1 4.32Å; M61-F94 HydrophobicContact CB-CZ 4.01Å; M61-F94 HydrophobicContact CG-CE1 4.49Å; M61-F94 HydrophobicContact CG-CZ 4.41Å; M61-F94 HydrophobicContact SD-CE1 4.31Å; M61-R178 HydrophobicContact CG-CB 4.39Å; M61-R178 HydrophobicContact SD-CB 4.12Å; M61-R181 HydrophobicContact CE-CB 4.48Å; M61-R181 HydrophobicContact SD-CB 4.04Å; M61-L182 HydrophobicContact CE-CB 3.78Å; M61-L182 HydrophobicContact CE-CD1 3.97Å; M61-L182 HydrophobicContact CG-CB 4.21Å; M61-L182 HydrophobicContact SD-CB 3.76Å; M61-L182 PolarHBondContact SD-N 3.06Å; M61-L182 VanDerWaalsContact SD-N 3.44Å; M61-Y185 HydrophobicContact CE-CD2 3.58Å; M61-Y185 HydrophobicContact CE-CE2 3.94Å
62V90.2Very high90.8Very high64 Ų6436.8 Ų36.839%0.38819%0.185SC..Hα-helixtrans-58-46.9173.8172.20000110.6L58 N64 L65 I66 L182L58-V62 HydrophobicContact CD1-CG2 4.33Å; L58-V62 WeakPolarHBondContact O-CG2 3.3Å; L58-V62 PolarHBondContact O-N 3.42Å; V62-N64 PolarHBondContact O-N 2.8Å; V62-L65 PolarHBondContact O-N 3.35Å; V62-I66 HydrophobicContact CG1-CD1 3.98Å; V62-I66 WeakPolarHBondContact O-CG1 3.25Å; V62-I66 PolarHBondContact O-N 3.02Å; V62-L182 HydrophobicContact CG2-CD1 4.27Å
63G92.5Very high90.7Very high25 Ų2530.5 Ų30.526%0.25816%0.161SC..Hα-helixtrans-58.8-43.6175.500000113M59 F60 M61 I66 I67M59-G63 PolarHBondContact O-N 2.65Å; F60-G63 PolarHBondContact O-N 3.12Å; M61-G63 VanDerWaalsContact C-N 3.33Å; M61-G63 PolarHBondContact O-N 2.63Å; G63-I66 PolarHBondContact O-N 2.97Å; G63-I67 WeakPolarHBondContact O-CB 3.29Å; G63-I67 VanDerWaalsContact O-CG1 3.24Å; G63-I67 WeakPolarHBondContact O-CG1 3.09Å; G63-I67 PolarHBondContact O-N 3.48Å
64N91.5Very high90.6Very high1 Ų130 Ų301%0.00516%0.16CC..Hα-helixtrans-66.3-44.2178.1-89.3-95.1000113.2F60 M61 V62 I66 I67 I68 S90 R178F60-N64 WeakPolarHBondContact O-CB 3.3Å; F60-N64 PolarHBondContact O-N 2.92Å; F60-N64 PolarHBondContact O-ND2 2.92Å; M61-N64 PolarHBondContact O-N 3.14Å; V62-N64 PolarHBondContact O-N 2.8Å; N64-I66 PolarHBondContact O-N 3.05Å; N64-I67 PolarHBondContact O-N 3.47Å; N64-I68 HydrophobicContact CB-CD1 3.9Å; N64-I68 VanDerWaalsContact O-CB 3.24Å; N64-I68 WeakPolarHBondContact O-CB 3.46Å; N64-I68 VanDerWaalsContact O-CG1 3.24Å; N64-I68 WeakPolarHBondContact O-CG1 3.47Å; N64-I68 PolarHBondContact O-N 3.18Å; N64-I68 WeakPolarHBondContact OD1-CD1 3.2Å; N64-S90 PolarHBondContact ND2-OG 2.7Å; N64-S90 VanDerWaalsContact ND2-OG 3.11Å; N64-S90 WeakPolarHBondContact OD1-CB 3.4Å; N64-S90 PolarHBondContact OD1-OG 3.32Å; N64-R178 PolarHBondContact OD1-NH1 3.04Å
65L91.4Very high90.5Very high0 Ų033.8 Ų33.80%018%0.176CC..Hα-helixtrans-67.6-15.9-179.6-64.3-173000112.8M61 V62 P69 L176 R178 L179 L182 L215 W219M61-L65 HydrophobicContact CG-CD1 4.21Å; M61-L65 HydrophobicContact CG-CG 4.3Å; M61-L65 VanDerWaalsContact O-CG 3.3Å; M61-L65 WeakPolarHBondContact O-CG 3.17Å; M61-L65 PolarHBondContact O-N 3.46Å; V62-L65 PolarHBondContact O-N 3.35Å; L65-P69 WeakPolarHBondContact O-CD 3.3Å; L65-P69 WeakPolarHBondContact O-CG 3.32Å; L65-L176 HydrophobicContact CD2-CD2 4.11Å; L65-R178 HydrophobicContact CD2-CB 4.12Å; L65-L179 HydrophobicContact CD1-CB 4.29Å; L65-L179 HydrophobicContact CD1-CD1 4.36Å; L65-L182 HydrophobicContact CD1-CD2 3.74Å; L65-L215 HydrophobicContact CB-CD1 4.04Å; L65-L215 HydrophobicContact CB-CD2 4.46Å; L65-L215 HydrophobicContact CD1-CD2 4.03Å; L65-W219 HydrophobicContact CB-CZ2 4.05Å; L65-W219 HydrophobicContact CD1-CZ2 4.15Å; L65-W219 HydrophobicContact CD2-CZ2 3.96Å; L65-W219 HydrophobicContact CG-CZ2 4.24Å; L65-W219 PolarHBondContact O-NE1 2.8Å
66I93.5Very high89.7Confident76 Ų7637.3 Ų37.339%0.3919%0.191SC..Hα-helixtrans-92.8-46.3171.4-63.3166.8000111.4V62 G63 N64 V70 L215 H218V62-I66 HydrophobicContact CG1-CD1 3.98Å; V62-I66 WeakPolarHBondContact O-CG1 3.25Å; V62-I66 PolarHBondContact O-N 3.02Å; G63-I66 PolarHBondContact O-N 2.97Å; N64-I66 PolarHBondContact O-N 3.05Å; I66-V70 WeakPolarHBondContact O-CG2 3.32Å; I66-L215 HydrophobicContact CG1-CD1 4.35Å; I66-H218 PolarHBondContact O-NE2 3.36Å; I66-H218 VanDerWaalsContact O-NE2 3.08Å
67I92.6Very high88.7Confident72 Ų7240.3 Ų40.337%0.36921%0.206SC..Hα-helixtrans-74.4-38.2-173.3-68.4166.9000112.2G63 N64 V70 G71 W83 F86G63-I67 WeakPolarHBondContact O-CB 3.29Å; G63-I67 VanDerWaalsContact O-CG1 3.24Å; G63-I67 WeakPolarHBondContact O-CG1 3.09Å; G63-I67 PolarHBondContact O-N 3.48Å; N64-I67 PolarHBondContact O-N 3.47Å; I67-V70 PolarHBondContact O-N 2.95Å; I67-G71 PolarHBondContact O-N 3.15Å; I67-W83 HydrophobicContact CG2-CZ3 3.83Å; I67-F86 HydrophobicContact CB-CE1 4.25Å; I67-F86 HydrophobicContact CB-CZ 4.02Å; I67-F86 HydrophobicContact CD1-CE2 3.93Å; I67-F86 HydrophobicContact CD1-CZ 3.82Å; I67-F86 HydrophobicContact CG2-CD1 4.31Å; I67-F86 HydrophobicContact CG2-CE1 3.67Å; I67-F86 HydrophobicContact CG2-CZ 3.81Å
68I90.7Very high87.6Confident1 Ų142.1 Ų42.11%0.00521%0.214CC..Hα-helixtrans-62.2-51.4-174.6-69.2168.3000112.1N64 V70 G71 I72 R175 L176N64-I68 HydrophobicContact CB-CD1 3.9Å; N64-I68 VanDerWaalsContact O-CB 3.24Å; N64-I68 WeakPolarHBondContact O-CB 3.46Å; N64-I68 VanDerWaalsContact O-CG1 3.24Å; N64-I68 WeakPolarHBondContact O-CG1 3.47Å; N64-I68 PolarHBondContact O-N 3.18Å; N64-I68 WeakPolarHBondContact OD1-CD1 3.2Å; I68-V70 VanDerWaalsContact C-N 3.35Å; I68-V70 PolarHBondContact O-N 3.43Å; I68-G71 PolarHBondContact O-N 3.02Å; I68-I72 HydrophobicContact CG2-CD1 3.53Å; I68-I72 HydrophobicContact CG2-CG1 4.4Å; I68-I72 WeakPolarHBondContact O-CG1 3.37Å; I68-I72 PolarHBondContact O-N 2.94Å; I68-I72 VanDerWaalsContact O-N 3.09Å; I68-R175 HydrophobicContact CD1-CB 3.83Å; I68-R175 HydrophobicContact CD1-CG 4.4Å; I68-L176 HydrophobicContact CG2-CD2 4.49Å
69P92.1Very high86.8Confident5 Ų546.2 Ų46.23%0.03224%0.24CC..Hα-helixtrans-56.5-46.1176.8-25.935.1000112.8L65 G71 I72 T73 L176 C222L65-P69 WeakPolarHBondContact O-CD 3.3Å; L65-P69 WeakPolarHBondContact O-CG 3.32Å; P69-G71 PolarHBondContact O-N 3.09Å; P69-I72 PolarHBondContact O-N 3.38Å; P69-T73 WeakPolarHBondContact O-CB 3.39Å; P69-T73 VanDerWaalsContact O-CG2 3.31Å; P69-T73 WeakPolarHBondContact O-CG2 3.49Å; P69-T73 PolarHBondContact O-N 3.27Å; P69-T73 PolarHBondContact O-OG1 3.35Å; P69-L176 HydrophobicContact CG-CD2 3.99Å; P69-C222 HydrophobicContact CB-CB 3.78Å
70V93.3Very high86.6Confident18 Ų1844.9 Ų44.911%0.10924%0.238CC..Hα-helixtrans-61.5-46.5-178.5178.80000111.5I66 I67 I68 T73 F74 H218 W249 Y253I66-V70 WeakPolarHBondContact O-CG2 3.32Å; I67-V70 PolarHBondContact O-N 2.95Å; I68-V70 VanDerWaalsContact C-N 3.35Å; I68-V70 PolarHBondContact O-N 3.43Å; V70-T73 PolarHBondContact O-N 3.06Å; V70-T73 PolarHBondContact O-OG1 2.92Å; V70-F74 HydrophobicContact CG1-CD2 4.11Å; V70-F74 PolarHBondContact O-N 2.8Å; V70-H218 VanDerWaalsContact CG2-CE1 3.45Å; V70-H218 WeakPolarHBondContact CG2-CE1 3.09Å; V70-W249 HydrophobicContact CG1-CZ3 4.39Å; V70-Y253 HydrophobicContact CG2-CD2 4.44Å; V70-Y253 HydrophobicContact CG2-CE2 4.19Å
71G90.4Very high86.5Confident0 Ų046.5 Ų46.50%025%0.254CS..Hα-helixtrans-67.9-38.6-178.600000113.4I67 I68 P69 T73I67-G71 PolarHBondContact O-N 3.15Å; I68-G71 PolarHBondContact O-N 3.02Å; P69-G71 PolarHBondContact O-N 3.09Å; G71-T73 VanDerWaalsContact C-N 3.27Å; G71-T73 PolarHBondContact O-N 2.82Å
72I88.2Confident86.5Confident1 Ų151.1 Ų51.11%0.00528%0.283CS..Hα-helixtrans-64.8-32.1174.6-68.2168.6000111.7I68 P69 K169 L173 L226 M229I68-I72 HydrophobicContact CG2-CD1 3.53Å; I68-I72 HydrophobicContact CG2-CG1 4.4Å; I68-I72 WeakPolarHBondContact O-CG1 3.37Å; I68-I72 PolarHBondContact O-N 2.94Å; I68-I72 VanDerWaalsContact O-N 3.09Å; P69-I72 PolarHBondContact O-N 3.38Å; I72-K169 HydrophobicContact CG2-CB 3.91Å; I72-K169 HydrophobicContact CG2-CG 4.09Å; I72-K169 PolarHBondContact O-NZ 3.11Å; I72-L173 HydrophobicContact CD1-CD2 3.75Å; I72-L173 HydrophobicContact CD1-CG 4.24Å; I72-L226 HydrophobicContact CG2-CD1 4.46Å; I72-M229 VanDerWaalsContact O-CE 3.26Å; I72-M229 WeakPolarHBondContact O-CE 3.21Å
73T90.3Very high86.4Confident7 Ų749.2 Ų49.24%0.04327%0.269CS..Hα-helixtrans-95.4-47.2-170.750.30000114.1P69 V70 G71 C222 F225 L226 M229P69-T73 WeakPolarHBondContact O-CB 3.39Å; P69-T73 VanDerWaalsContact O-CG2 3.31Å; P69-T73 WeakPolarHBondContact O-CG2 3.49Å; P69-T73 PolarHBondContact O-N 3.27Å; P69-T73 PolarHBondContact O-OG1 3.35Å; V70-T73 PolarHBondContact O-N 3.06Å; V70-T73 PolarHBondContact O-OG1 2.92Å; G71-T73 VanDerWaalsContact C-N 3.27Å; G71-T73 PolarHBondContact O-N 2.82Å; T73-C222 HydrophobicContact CG2-CB 4.18Å; T73-F225 WeakPolarHBondContact O-CE1 3.46Å; T73-L226 HydrophobicContact CG2-CB 3.71Å; T73-L226 HydrophobicContact CG2-CD1 3.97Å; T73-L226 HydrophobicContact CG2-CG 4.24Å; T73-M229 WeakPolarHBondContact O-CE 3.41Å
74F90.4Very high86.2Confident15 Ų1551 Ų517%0.06627%0.273CS..Hα-helixtrans-105.7-16.1-169.6-58.5-81.3000114.7V70 F225 W249 L252 Y253 A256V70-F74 HydrophobicContact CG1-CD2 4.11Å; V70-F74 PolarHBondContact O-N 2.8Å; F74-F225 AromaticContact CD1-CD1 3.61Å; F74-F225 HydrophobicContact CD1-CD1 3.61Å; F74-F225 AromaticContact CD1-CE1 3.62Å; F74-F225 HydrophobicContact CD1-CE1 3.62Å; F74-F225 HydrophobicContact CD1-CG 4.15Å; F74-F225 HydrophobicContact CD1-CZ 4.16Å; F74-F225 HydrophobicContact CE1-CB 3.86Å; F74-F225 AromaticContact CE1-CD1 3.3Å; F74-F225 HydrophobicContact CE1-CD1 3.3Å; F74-F225 AromaticContact CE1-CD2 3.91Å; F74-F225 HydrophobicContact CE1-CD2 3.91Å; F74-F225 AromaticContact CE1-CE1 3.75Å; F74-F225 HydrophobicContact CE1-CE1 3.75Å; F74-F225 HydrophobicContact CE1-CE2 4.3Å; F74-F225 AromaticContact CE1-CG 3.39Å; F74-F225 HydrophobicContact CE1-CG 3.39Å; F74-F225 HydrophobicContact CE1-CZ 4.23Å; F74-F225 HydrophobicContact CG-CD1 4.37Å; F74-F225 HydrophobicContact CG-CE1 4.43Å; F74-F225 HydrophobicContact CZ-CB 3.77Å; F74-F225 AromaticContact CZ-CD1 3.84Å; F74-F225 HydrophobicContact CZ-CD1 3.84Å; F74-F225 AromaticContact CZ-CG 3.83Å; F74-F225 HydrophobicContact CZ-CG 3.83Å; F74-W249 HydrophobicContact CB-CB 4.04Å; F74-L252 HydrophobicContact CD1-CB 3.93Å; F74-L252 HydrophobicContact CE1-CB 3.88Å; F74-Y253 HydrophobicContact CD2-CD2 4.3Å; F74-Y253 AromaticContact CE2-CD2 3.63Å; F74-Y253 HydrophobicContact CE2-CD2 3.63Å; F74-Y253 HydrophobicContact CE2-CG 4.29Å; F74-Y253 HydrophobicContact CZ-CD2 4.03Å; F74-A256 HydrophobicContact CZ-CB 4.25Å
75F87.7Confident86.1Confident80 Ų8055.8 Ų55.835%0.35130%0.297SS..  trans-91.1127.2175.2-59-26.9000111W249F75-W249 AromaticContact CE1-CD2 3.94Å; F75-W249 HydrophobicContact CE1-CD2 3.94Å; F75-W249 HydrophobicContact CE1-CE3 4.24Å; F75-W249 HydrophobicContact CE1-CG 4.17Å
76K72.3Confident86.1Confident169 Ų16958.6 Ų58.674%0.73531%0.309SS*.SBendtrans-79-37.4-177.6-64.7-178.4179.8177.20111.8
77D70Confident85.9Confident116 Ų11655 Ų5562%0.6229%0.291SS*.  trans-107.681.6-179.2-64.3-40.3000112.2T79 T80D77-T79 PolarHBondContact O-N 2.89Å; D77-T79 VanDerWaalsContact O-N 3.14Å; D77-T80 HydrophobicContact CB-CG2 4.34Å; D77-T80 WeakPolarHBondContact O-CG2 3.49Å
78E66.7Low85.8Confident37 Ų3755.1 Ų55.117%0.17330%0.295CS..THydrogen-bonded Turntrans-71.23.3174.5-68.3179.3-138.900113.9K169E78-K169 WeakPolarHBondContact OE1-CE 3.35Å; E78-K169 IonicContact OE1-NZ 2.73Å; E78-K169 PolarHBondContact OE1-NZ 2.79Å
79T71.8Confident85.9Confident116 Ų11658.1 Ų58.171%0.71231%0.313SS*.THydrogen-bonded Turntrans-95.16.8178.153.50000113.3D77 I84D77-T79 PolarHBondContact O-N 2.89Å; D77-T79 VanDerWaalsContact O-N 3.14Å; T79-I84 WeakPolarHBondContact O-CD1 3.34Å
80T84.9Confident85.8Confident72 Ų7257.9 Ų57.944%0.44231%0.312SS..  trans-66.4139.3178.155.10000112.2D77 P82 W83 I84D77-T80 HydrophobicContact CB-CG2 4.34Å; D77-T80 WeakPolarHBondContact O-CG2 3.49Å; T80-P82 VanDerWaalsContact C-CD 3.47Å; T80-W83 PolarHBondContact O-N 2.91Å; T80-W83 VanDerWaalsContact O-N 3.11Å; T80-I84 PolarHBondContact O-N 3.26Å; T80-I84 VanDerWaalsContact O-N 3.16Å
81T86.6Confident85.7Confident102 Ų10257.3 Ų57.363%0.62631%0.308SS*.Hα-helixtrans-52.8-42.9-177.1-40.50000114W83 I84 I85T81-W83 PolarHBondContact O-N 3.38Å; T81-I84 PolarHBondContact O-N 2.89Å; T81-I85 HydrophobicContact CG2-CD1 3.92Å; T81-I85 HydrophobicContact CG2-CG1 4.45Å; T81-I85 VanDerWaalsContact O-CG1 3.28Å; T81-I85 WeakPolarHBondContact O-CG1 3.43Å; T81-I85 PolarHBondContact O-N 3.06Å
82P89.3Confident85.8Confident96 Ų9661.1 Ų61.162%0.62333%0.331SS*.Hα-helixtrans-63.6-37.1178.5-22.935.7000113.7T80 I85 F86T80-P82 VanDerWaalsContact C-CD 3.47Å; P82-I85 PolarHBondContact O-N 2.86Å; P82-F86 WeakPolarHBondContact O-CB 3.31Å; P82-F86 PolarHBondContact O-N 3.03Å
83W88.8Confident86.1Confident24 Ų2463.7 Ų63.79%0.09134%0.342CS..Hα-helixtrans-67.9-43.4177.7178.2-102.5000111.7I67 T80 T81 F86 N87I67-W83 HydrophobicContact CG2-CZ3 3.83Å; T80-W83 PolarHBondContact O-N 2.91Å; T80-W83 VanDerWaalsContact O-N 3.11Å; T81-W83 PolarHBondContact O-N 3.38Å; W83-F86 PolarHBondContact O-N 3.08Å; W83-N87 PolarHBondContact NE1-ND2 2.82Å; W83-N87 VanDerWaalsContact NE1-ND2 3.1Å; W83-N87 PolarHBondContact O-N 3.19Å; W83-N87 PolarHBondContact O-ND2 2.89Å
84I87.3Confident86.2Confident64 Ų6463.4 Ų63.433%0.32834%0.34SS..Hα-helixtrans-62.3-45.5175.4-62.3171.3000110.5T79 T80 T81 F86 N87 V88 Y142T79-I84 WeakPolarHBondContact O-CD1 3.34Å; T80-I84 PolarHBondContact O-N 3.26Å; T80-I84 VanDerWaalsContact O-N 3.16Å; T81-I84 PolarHBondContact O-N 2.89Å; I84-F86 PolarHBondContact O-N 3.29Å; I84-N87 PolarHBondContact O-N 3.31Å; I84-V88 HydrophobicContact CG2-CG2 4.19Å; I84-V88 WeakPolarHBondContact O-CB 3.41Å; I84-V88 VanDerWaalsContact O-CG2 3.27Å; I84-V88 WeakPolarHBondContact O-CG2 3.33Å; I84-V88 PolarHBondContact O-N 2.58Å; I84-Y142 HydrophobicContact CG1-CE1 4.4Å
85I90.7Very high86.3Confident101 Ų10166.9 Ų66.952%0.51836%0.359SS..Hα-helixtrans-59-47.3175.9-70168000110.6T81 P82 N87 V88 V89T81-I85 HydrophobicContact CG2-CD1 3.92Å; T81-I85 HydrophobicContact CG2-CG1 4.45Å; T81-I85 VanDerWaalsContact O-CG1 3.28Å; T81-I85 WeakPolarHBondContact O-CG1 3.43Å; T81-I85 PolarHBondContact O-N 3.06Å; P82-I85 PolarHBondContact O-N 2.86Å; I85-N87 PolarHBondContact O-N 2.88Å; I85-V88 PolarHBondContact O-N 3.41Å; I85-V89 HydrophobicContact CG2-CG2 4.25Å; I85-V89 WeakPolarHBondContact O-CB 3.41Å; I85-V89 VanDerWaalsContact O-CG2 3.27Å; I85-V89 WeakPolarHBondContact O-CG2 3.41Å; I85-V89 PolarHBondContact O-N 2.75Å
86F91Very high86.5Confident59 Ų5967.1 Ų67.126%0.25936%0.362SS..Hα-helixtrans-57.3-49.9178.6173.6-96.5000112.1I67 P82 W83 I84 S90I67-F86 HydrophobicContact CB-CE1 4.25Å; I67-F86 HydrophobicContact CB-CZ 4.02Å; I67-F86 HydrophobicContact CD1-CE2 3.93Å; I67-F86 HydrophobicContact CD1-CZ 3.82Å; I67-F86 HydrophobicContact CG2-CD1 4.31Å; I67-F86 HydrophobicContact CG2-CE1 3.67Å; I67-F86 HydrophobicContact CG2-CZ 3.81Å; P82-F86 WeakPolarHBondContact O-CB 3.31Å; P82-F86 PolarHBondContact O-N 3.03Å; W83-F86 PolarHBondContact O-N 3.08Å; I84-F86 PolarHBondContact O-N 3.29Å; F86-S90 WeakPolarHBondContact O-CB 3.31Å; F86-S90 PolarHBondContact O-N 3.11Å
87N89.3Confident87.5Confident0 Ų059 Ų590%033%0.327CS..Hα-helixtrans-66.3-43.6179.9-72.7-39.6000112.3W83 I84 I85 V89 S90 D91 Y142W83-N87 PolarHBondContact NE1-ND2 2.82Å; W83-N87 VanDerWaalsContact NE1-ND2 3.1Å; W83-N87 PolarHBondContact O-N 3.19Å; W83-N87 PolarHBondContact O-ND2 2.89Å; I84-N87 PolarHBondContact O-N 3.31Å; I85-N87 PolarHBondContact O-N 2.88Å; N87-V89 PolarHBondContact O-N 3.48Å; N87-S90 PolarHBondContact O-N 3.34Å; N87-D91 VanDerWaalsContact O-CB 3.32Å; N87-D91 WeakPolarHBondContact O-CB 3.47Å; N87-D91 PolarHBondContact O-N 3.42Å; N87-Y142 HydrophobicContact CB-CE2 3.82Å; N87-Y142 PolarHBondContact ND2-OH 3.34Å; N87-Y142 VanDerWaalsContact ND2-OH 3.15Å
88V90.5Very high88.7Confident74 Ų7453.9 Ų53.945%0.44830%0.3SS..Hα-helixtrans-64.2-42.6179.21710000111.4I84 I85 T92I84-V88 HydrophobicContact CG2-CG2 4.19Å; I84-V88 WeakPolarHBondContact O-CB 3.41Å; I84-V88 VanDerWaalsContact O-CG2 3.27Å; I84-V88 WeakPolarHBondContact O-CG2 3.33Å; I84-V88 PolarHBondContact O-N 2.58Å; I85-V88 PolarHBondContact O-N 3.41Å; V88-T92 WeakPolarHBondContact O-CB 3.42Å; V88-T92 PolarHBondContact O-N 3.35Å; V88-T92 PolarHBondContact O-OG1 2.71Å
89V92.3Very high90Very high64 Ų6456.4 Ų56.439%0.38832%0.318SS..Hα-helixtrans-63.3-48.4174.9170.40000110.3I85 N87 T92 F93I85-V89 HydrophobicContact CG2-CG2 4.25Å; I85-V89 WeakPolarHBondContact O-CB 3.41Å; I85-V89 VanDerWaalsContact O-CG2 3.27Å; I85-V89 WeakPolarHBondContact O-CG2 3.41Å; I85-V89 PolarHBondContact O-N 2.75Å; N87-V89 PolarHBondContact O-N 3.48Å; V89-T92 WeakPolarHBondContact O-CB 3.34Å; V89-T92 PolarHBondContact O-N 3.36Å; V89-F93 HydrophobicContact CG1-CD2 4.17Å; V89-F93 HydrophobicContact CG1-CE2 4.19Å; V89-F93 WeakPolarHBondContact O-CD2 3.34Å; V89-F93 PolarHBondContact O-N 2.65Å; V89-F93 VanDerWaalsContact O-N 3.1Å
90S91.4Very high91Very high1 Ų152.4 Ų52.41%0.00729%0.292CS..Hα-helixtrans-55.4-56.6177.51780000112.1N64 F86 N87 T92 F93 F94 R178N64-S90 PolarHBondContact ND2-OG 2.7Å; N64-S90 VanDerWaalsContact ND2-OG 3.11Å; N64-S90 WeakPolarHBondContact OD1-CB 3.4Å; N64-S90 PolarHBondContact OD1-OG 3.32Å; F86-S90 WeakPolarHBondContact O-CB 3.31Å; F86-S90 PolarHBondContact O-N 3.11Å; N87-S90 PolarHBondContact O-N 3.34Å; S90-T92 PolarHBondContact O-N 3.41Å; S90-F93 WeakPolarHBondContact O-CB 3.44Å; S90-F93 PolarHBondContact O-N 3.12Å; S90-F94 WeakPolarHBondContact O-CD2 3.32Å; S90-F94 PolarHBondContact O-N 3.47Å; S90-F94 WeakPolarHBondContact OG-CE2 3.5Å; S90-R178 PolarHBondContact OG-NH1 3.48Å
91D90.9Very high91.3Very high6 Ų650 Ų503%0.03228%0.276CS..Hα-helixtrans-61.1-33.4-178.2-66.3-11.6000111.3N87 F94 L95 P139 R175 R178N87-D91 VanDerWaalsContact O-CB 3.32Å; N87-D91 WeakPolarHBondContact O-CB 3.47Å; N87-D91 PolarHBondContact O-N 3.42Å; D91-F94 PolarHBondContact O-N 3.29Å; D91-L95 VanDerWaalsContact O-CB 3.28Å; D91-L95 WeakPolarHBondContact O-CB 3.37Å; D91-L95 PolarHBondContact O-N 3.42Å; D91-P139 WeakPolarHBondContact OD2-CB 3.32Å; D91-R175 IonicContact OD1-CZ 3.77Å; D91-R175 IonicContact OD1-NE 3.77Å; D91-R175 PolarHBondContact OD1-NE 3.36Å; D91-R175 IonicContact OD2-CZ 2.75Å; D91-R175 IonicContact OD2-NE 3.8Å; D91-R175 PolarHBondContact OD2-NE 3.47Å; D91-R175 VanDerWaalsContact OD2-NE 3.16Å; D91-R175 IonicContact OD2-NH2 2.81Å; D91-R175 PolarHBondContact OD2-NH2 2.9Å; D91-R178 IonicContact OD1-CZ 3.64Å; D91-R178 IonicContact OD1-NH1 3.3Å; D91-R178 IonicContact OD1-NH2 3.45Å; D91-R178 PolarHBondContact OD1-NH2 3.01Å
92T92.4Very high91.6Very high79 Ų7947.4 Ų47.449%0.48526%0.256SS..Hα-helixtrans-62.9-43.1172.3-58.80000112.3V88 V89 S90 L95 M96V88-T92 WeakPolarHBondContact O-CB 3.42Å; V88-T92 PolarHBondContact O-N 3.35Å; V88-T92 PolarHBondContact O-OG1 2.71Å; V89-T92 WeakPolarHBondContact O-CB 3.34Å; V89-T92 PolarHBondContact O-N 3.36Å; S90-T92 PolarHBondContact O-N 3.41Å; T92-L95 PolarHBondContact O-N 2.96Å; T92-M96 WeakPolarHBondContact O-CB 3.04Å; T92-M96 PolarHBondContact O-N 3.29Å
93F93.3Very high91.9Very high56 Ų5647.8 Ų47.825%0.24625%0.245CC..Hα-helixtrans-65.1-42.3174.7-90.5-98.6000111.9W53 M57 F60 V89 S90 L95 M96 D97W53-F93 AromaticContact CH2-CD1 3.85Å; W53-F93 HydrophobicContact CH2-CD1 3.85Å; W53-F93 HydrophobicContact CH2-CE1 4.34Å; W53-F93 HydrophobicContact CZ3-CD1 4.28Å; W53-F93 HydrophobicContact CZ3-CE1 4.33Å; M57-F93 HydrophobicContact SD-CB 4.34Å; M57-F93 HydrophobicContact SD-CD1 4.45Å; F60-F93 HydrophobicContact CD2-CD1 4.43Å; F60-F93 HydrophobicContact CE2-CD1 4.21Å; F60-F93 HydrophobicContact CE2-CE1 4Å; F60-F93 HydrophobicContact CE2-CZ 4.2Å; F60-F93 HydrophobicContact CZ-CD2 4.42Å; F60-F93 HydrophobicContact CZ-CE1 4.42Å; F60-F93 HydrophobicContact CZ-CE2 4.21Å; F60-F93 HydrophobicContact CZ-CZ 4.21Å; V89-F93 HydrophobicContact CG1-CD2 4.17Å; V89-F93 HydrophobicContact CG1-CE2 4.19Å; V89-F93 WeakPolarHBondContact O-CD2 3.34Å; V89-F93 PolarHBondContact O-N 2.65Å; V89-F93 VanDerWaalsContact O-N 3.1Å; S90-F93 WeakPolarHBondContact O-CB 3.44Å; S90-F93 PolarHBondContact O-N 3.12Å; F93-L95 VanDerWaalsContact C-N 3.33Å; F93-L95 PolarHBondContact O-N 3.14Å; F93-M96 HydrophobicContact CD1-CE 4.43Å; F93-M96 HydrophobicContact CE1-CE 4.46Å; F93-M96 PolarHBondContact O-N 2.88Å; F93-D97 PolarHBondContact O-N 3.49Å
94F92.1Very high92.1Very high0 Ų047.3 Ų47.30%025%0.245CC..Hα-helixtrans-68-29.7176.8-75.6-73.5000113.6M57 M61 S90 D91 L98 S137 R178 R181M57-F94 HydrophobicContact CE-CD1 3.42Å; M57-F94 VanDerWaalsContact CE-CD1 3.42Å; M57-F94 HydrophobicContact CE-CE1 3.41Å; M57-F94 VanDerWaalsContact CE-CE1 3.41Å; M57-F94 HydrophobicContact CE-CG 4.05Å; M57-F94 HydrophobicContact CE-CZ 4.03Å; M61-F94 HydrophobicContact CB-CE1 4.32Å; M61-F94 HydrophobicContact CB-CZ 4.01Å; M61-F94 HydrophobicContact CG-CE1 4.49Å; M61-F94 HydrophobicContact CG-CZ 4.41Å; M61-F94 HydrophobicContact SD-CE1 4.31Å; S90-F94 WeakPolarHBondContact O-CD2 3.32Å; S90-F94 PolarHBondContact O-N 3.47Å; S90-F94 WeakPolarHBondContact OG-CE2 3.5Å; D91-F94 PolarHBondContact O-N 3.29Å; F94-L98 PolarHBondContact O-N 3.4Å; F94-L98 VanDerWaalsContact O-N 3.15Å; F94-S137 PolarHBondContact O-OG 3.02Å; F94-R178 HydrophobicContact CD1-CG 4.21Å; F94-R178 HydrophobicContact CE1-CG 4.04Å; F94-R178 VanDerWaalsContact CE2-NH1 3.27Å; F94-R178 HydrophobicContact CZ-CG 4.44Å; F94-R181 PolarHBondContact O-NH1 2.87Å
95L92.3Very high92.3Very high88 Ų8844.5 Ų44.546%0.46123%0.232SC..Hα-helixtrans-73.9-37.8171.8-174.664.4000111.7D91 T92 F93 L98 V99D91-L95 VanDerWaalsContact O-CB 3.28Å; D91-L95 WeakPolarHBondContact O-CB 3.37Å; D91-L95 PolarHBondContact O-N 3.42Å; T92-L95 PolarHBondContact O-N 2.96Å; F93-L95 VanDerWaalsContact C-N 3.33Å; F93-L95 PolarHBondContact O-N 3.14Å; L95-L98 HydrophobicContact CD1-CD2 4.18Å; L95-L98 WeakPolarHBondContact O-CB 3.31Å; L95-L98 PolarHBondContact O-N 2.98Å; L95-V99 WeakPolarHBondContact O-CG2 3.43Å; L95-V99 PolarHBondContact O-N 3.48Å; L95-V99 VanDerWaalsContact O-N 3.13Å
96M93.8Very high92.2Very high85 Ų8541.7 Ų41.742%0.41922%0.217SC..Hα-helixtrans-63.2-45.1172.2-178.6150.262.900111.3W53 T92 F93 L98 V99 L100W53-M96 HydrophobicContact CH2-CB 4.2Å; W53-M96 HydrophobicContact CH2-CE 3.51Å; W53-M96 HydrophobicContact CH2-CG 3.82Å; W53-M96 HydrophobicContact CH2-SD 4.34Å; W53-M96 HydrophobicContact CZ2-CB 4.41Å; W53-M96 HydrophobicContact CZ2-CG 4.17Å; W53-M96 HydrophobicContact CZ3-CE 3.79Å; T92-M96 WeakPolarHBondContact O-CB 3.04Å; T92-M96 PolarHBondContact O-N 3.29Å; F93-M96 HydrophobicContact CD1-CE 4.43Å; F93-M96 HydrophobicContact CE1-CE 4.46Å; F93-M96 PolarHBondContact O-N 2.88Å; M96-L98 VanDerWaalsContact C-N 3.33Å; M96-L98 PolarHBondContact O-N 3.16Å; M96-V99 PolarHBondContact O-N 2.91Å; M96-V99 VanDerWaalsContact O-N 3.13Å; M96-L100 HydrophobicContact CG-CD1 3.99Å; M96-L100 HydrophobicContact CG-CG 4.41Å; M96-L100 VanDerWaalsContact O-CG 3.31Å; M96-L100 WeakPolarHBondContact O-CG 3.35Å; M96-L100 PolarHBondContact O-N 3.46Å
97D93.4Very high92Very high0 Ų040.8 Ų40.80%022%0.217CC..Hα-helixtrans-58.4-43.7174.2-178.765.8000112.1R50 W53 M57 F93 V99 L100 N101 R181 Y185R50-D97 IonicContact NH2-OD1 2.69Å; W53-D97 HydrophobicContact CZ2-CB 3.86Å; W53-D97 PolarHBondContact NE1-OD1 3.14Å; M57-D97 HydrophobicContact CE-CB 3.81Å; M57-D97 HydrophobicContact CG-CB 4.42Å; M57-D97 HydrophobicContact SD-CB 4.12Å; F93-D97 PolarHBondContact O-N 3.49Å; D97-V99 VanDerWaalsContact C-N 3.28Å; D97-V99 PolarHBondContact O-N 3.23Å; D97-L100 PolarHBondContact O-N 3.12Å; D97-L100 VanDerWaalsContact O-N 3.11Å; D97-N101 WeakPolarHBondContact O-CB 3.14Å; D97-N101 PolarHBondContact O-N 3.16Å; D97-N101 PolarHBondContact O-ND2 2.65Å; D97-N101 PolarHBondContact OD2-ND2 2.96Å; D97-R181 WeakPolarHBondContact OD2-CD 3.49Å; D97-R181 IonicContact OD2-CZ 2.92Å; D97-R181 IonicContact OD2-NE 2.67Å; D97-R181 IonicContact OD2-NH1 3.2Å; D97-R181 PolarHBondContact OD2-NH1 3.25Å; D97-Y185 PolarHBondContact OD1-OH 2.92Å; D97-Y185 VanDerWaalsContact OD1-OH 3.12Å; D97-Y185 PolarHBondContact OD2-OH 3.43Å; D97-Y185 VanDerWaalsContact OD2-OH 3.1Å
98L93.3Very high91.5Very high7 Ų745 Ų454%0.03724%0.235CC..Hα-helixtrans-55.6-42.5175.2178.764.3000112F94 L95 M96 F102 Y125 F130 D133 F134F94-L98 PolarHBondContact O-N 3.4Å; F94-L98 VanDerWaalsContact O-N 3.15Å; L95-L98 HydrophobicContact CD1-CD2 4.18Å; L95-L98 WeakPolarHBondContact O-CB 3.31Å; L95-L98 PolarHBondContact O-N 2.98Å; M96-L98 VanDerWaalsContact C-N 3.33Å; M96-L98 PolarHBondContact O-N 3.16Å; L98-F102 HydrophobicContact CD1-CE2 4.43Å; L98-F102 WeakPolarHBondContact O-CD2 3.49Å; L98-Y125 HydrophobicContact CD1-CE1 3.95Å; L98-Y125 VanDerWaalsContact CD1-OH 3.28Å; L98-Y125 WeakPolarHBondContact CD1-OH 3.28Å; L98-F130 HydrophobicContact CD1-CD2 3.93Å; L98-F130 HydrophobicContact CD1-CE2 4.07Å; L98-F130 HydrophobicContact CD2-CE2 4.45Å; L98-D133 HydrophobicContact CD1-CB 3.97Å; L98-F134 HydrophobicContact CD2-CB 4.38Å; L98-F134 HydrophobicContact CD2-CD2 4.06Å
99V94.1Very high90.3Very high91 Ų9150.5 Ų50.555%0.55226%0.256SS*.Hα-helixtrans-68.6-40.6176.2173.90000111.7L95 M96 D97 N101 F102L95-V99 WeakPolarHBondContact O-CG2 3.43Å; L95-V99 PolarHBondContact O-N 3.48Å; L95-V99 VanDerWaalsContact O-N 3.13Å; M96-V99 PolarHBondContact O-N 2.91Å; M96-V99 VanDerWaalsContact O-N 3.13Å; D97-V99 VanDerWaalsContact C-N 3.28Å; D97-V99 PolarHBondContact O-N 3.23Å; V99-N101 VanDerWaalsContact C-N 3.33Å; V99-N101 PolarHBondContact O-N 3.47Å; V99-F102 PolarHBondContact O-N 2.96Å
100L93.3Very high88.9Confident32 Ų3253.9 Ų53.917%0.16827%0.272CS..Hα-helixtrans-67.6-31.5177.8-65.3169.6000112.2I43 F49 W53 M96 D97 F102 R103 T104I43-L100 HydrophobicContact CD1-CB 4.08Å; I43-L100 HydrophobicContact CD1-CD2 3.65Å; I43-L100 HydrophobicContact CD1-CG 4.42Å; F49-L100 HydrophobicContact CE1-CD1 4.42Å; F49-L100 HydrophobicContact CE1-CD2 4.38Å; F49-L100 HydrophobicContact CZ-CD1 4.42Å; W53-L100 HydrophobicContact CD2-CD1 3.71Å; W53-L100 VanDerWaalsContact CE2-CD1 3.41Å; W53-L100 HydrophobicContact CE3-CD1 4.17Å; W53-L100 HydrophobicContact CG-CD1 4.26Å; W53-L100 HydrophobicContact CH2-CD1 4.16Å; W53-L100 HydrophobicContact CZ2-CD1 3.66Å; W53-L100 HydrophobicContact CZ3-CD1 4.38Å; M96-L100 HydrophobicContact CG-CD1 3.99Å; M96-L100 HydrophobicContact CG-CG 4.41Å; M96-L100 VanDerWaalsContact O-CG 3.31Å; M96-L100 WeakPolarHBondContact O-CG 3.35Å; M96-L100 PolarHBondContact O-N 3.46Å; D97-L100 PolarHBondContact O-N 3.12Å; D97-L100 VanDerWaalsContact O-N 3.11Å; L100-F102 VanDerWaalsContact C-N 3.26Å; L100-F102 PolarHBondContact O-N 3.43Å; L100-R103 CarbonylContact O-C 3.46Å; L100-R103 WeakPolarHBondContact O-CA 3.48Å; L100-R103 PolarHBondContact O-N 3.08Å; L100-T104 PolarHBondContact O-N 3.43Å; L100-T104 PolarHBondContact O-OG1 2.85Å
101N91.8Very high87.6Confident21 Ų2157.2 Ų57.211%0.11229%0.29CS..Hα-helixtrans-64.9-25.8175.2-66.9-25.8000112.8R50 D97 V99 R103 Y125R50-N101 PolarHBondContact NH1-OD1 2.91Å; R50-N101 PolarHBondContact NH2-OD1 2.98Å; D97-N101 WeakPolarHBondContact O-CB 3.14Å; D97-N101 PolarHBondContact O-N 3.16Å; D97-N101 PolarHBondContact O-ND2 2.65Å; D97-N101 PolarHBondContact OD2-ND2 2.96Å; V99-N101 VanDerWaalsContact C-N 3.33Å; V99-N101 PolarHBondContact O-N 3.47Å; N101-R103 PolarHBondContact O-N 2.92Å; N101-Y125 HydrophobicContact CB-CE1 3.91Å; N101-Y125 HydrophobicContact CB-CE2 4.32Å
102F93.4Very high86.4Confident48 Ų4862.6 Ų62.621%0.21132%0.323CS..THydrogen-bonded Turntrans-71.9-11.7168.6-75.2-76.9000114.1L98 V99 L100 K122 Y125 L126 F130L98-F102 HydrophobicContact CD1-CE2 4.43Å; L98-F102 WeakPolarHBondContact O-CD2 3.49Å; V99-F102 PolarHBondContact O-N 2.96Å; L100-F102 VanDerWaalsContact C-N 3.26Å; L100-F102 PolarHBondContact O-N 3.43Å; F102-K122 HydrophobicContact CD1-CB 4.28Å; F102-K122 HydrophobicContact CD1-CG 4.01Å; F102-K122 HydrophobicContact CE1-CG 4.04Å; F102-Y125 AromaticContact CD1-CD1 3.96Å; F102-Y125 HydrophobicContact CD1-CD1 3.96Å; F102-Y125 HydrophobicContact CD2-CD1 4.35Å; F102-Y125 HydrophobicContact CD2-CE1 4.25Å; F102-Y125 AromaticContact CE1-CD1 3.77Å; F102-Y125 HydrophobicContact CE1-CD1 3.77Å; F102-Y125 HydrophobicContact CE1-CE1 4.39Å; F102-Y125 HydrophobicContact CE2-CD1 4.17Å; F102-Y125 AromaticContact CE2-CE1 3.98Å; F102-Y125 HydrophobicContact CE2-CE1 3.98Å; F102-Y125 HydrophobicContact CG-CD1 4.25Å; F102-Y125 AromaticContact CZ-CD1 3.88Å; F102-Y125 HydrophobicContact CZ-CD1 3.88Å; F102-Y125 HydrophobicContact CZ-CE1 4.06Å; F102-L126 HydrophobicContact CE1-CD2 3.87Å; F102-L126 HydrophobicContact CE1-CG 4.01Å; F102-L126 HydrophobicContact CZ-CD2 3.89Å; F102-F130 AromaticContact CE2-CD2 3.98Å; F102-F130 HydrophobicContact CE2-CD2 3.98Å; F102-F130 AromaticContact CE2-CE2 3.89Å; F102-F130 HydrophobicContact CE2-CE2 3.89Å; F102-F130 AromaticContact CZ-CD2 3.53Å; F102-F130 HydrophobicContact CZ-CD2 3.53Å; F102-F130 AromaticContact CZ-CE2 3.62Å; F102-F130 HydrophobicContact CZ-CE2 3.62Å; F102-F130 HydrophobicContact CZ-CG 4.44Å
103R93.8Very high85.7Confident103 Ų10365 Ų6539%0.38933%0.329SS..THydrogen-bonded Turntrans-114.9-9.6-179-61-53.3-164.3122.21.3114.1N40 I43 L100 N101N40-R103 PolarHBondContact O-NH1 3.07Å; I43-R103 HydrophobicContact CD1-CB 4.1Å; I43-R103 HydrophobicContact CG1-CB 4.2Å; I43-R103 PolarHBondContact N-O 3.1Å; L100-R103 CarbonylContact O-C 3.46Å; L100-R103 WeakPolarHBondContact O-CA 3.48Å; L100-R103 PolarHBondContact O-N 3.08Å; N101-R103 PolarHBondContact O-N 2.92Å
104T93.3Very high85.5Confident15 Ų1563 Ų639%0.09232%0.321CS..BIsolated β-bridgetrans-81.1130.3177.4-56.80000110.4I43 P45 R50 L100 I121I43-T104 WeakPolarHBondContact O-CA 3.26Å; P45-T104 HydrophobicContact CB-CG2 4.48Å; R50-T104 HydrophobicContact CG-CG2 4.38Å; R50-T104 PolarHBondContact NH1-OG1 2.81Å; L100-T104 PolarHBondContact O-N 3.43Å; L100-T104 PolarHBondContact O-OG1 2.85Å; T104-I121 WeakPolarHBondContact O-CG2 3.34Å
105G91.6Very high85.4Confident5 Ų564.3 Ų64.35%0.05233%0.327CS..  trans-64.5146.8175.500000112.2I43 I115I43-G105 PolarHBondContact O-N 2.86Å; G105-I115 CarbonylContact C-O 3.59Å; G105-I115 WeakPolarHBondContact CA-O 3.29Å
106I89.1Confident85.4Confident41 Ų4160.3 Ų60.321%0.2131%0.306CS..EExtended strand (participates in β ladder)trans-107.4121.6-176.5-57.4172.3000109.3I115 I121 K124I106-I115 PolarHBondContact N-O 2.67Å; I106-I115 PolarHBondContact O-N 2.68Å; I106-I121 HydrophobicContact CD1-CB 4.5Å; I106-I121 HydrophobicContact CD1-CG2 4.26Å; I106-K124 HydrophobicContact CD1-CB 3.9Å; I106-K124 HydrophobicContact CD1-CD 3.94Å; I106-K124 HydrophobicContact CD1-CG 4.07Å; I106-K124 HydrophobicContact CG2-CD 4.04Å
107V86.1Confident85.3Confident41 Ų4159 Ų5925%0.24830%0.301CS..EExtended strand (participates in β ladder)trans-77.1145171.3-166.10000109.3P45 Y46 I114P45-V107 HydrophobicContact CB-CG2 4.06Å; P45-V107 HydrophobicContact CG-CG2 3.72Å; Y46-V107 HydrophobicContact CE1-CG2 4.36Å; Y46-V107 HydrophobicContact CE2-CG2 4.44Å; V107-I114 HydrophobicContact CG1-CG1 4.47Å; V107-I114 HydrophobicContact CG2-CG1 4.32Å
108F79.8Confident85.2Confident88 Ų8861.2 Ų61.239%0.38632%0.315SS..  trans-96.3156.2167.4-89-76.5000111.5D110 N111 E113 I115F108-D110 PolarHBondContact O-N 2.85Å; F108-D110 VanDerWaalsContact O-N 3.13Å; F108-N111 WeakPolarHBondContact O-CA 3.35Å; F108-N111 PolarHBondContact O-N 3.44Å; F108-E113 PolarHBondContact N-O 2.7Å; F108-I115 HydrophobicContact CD2-CD1 4.18Å; F108-I115 HydrophobicContact CD2-CG1 4.3Å; F108-I115 HydrophobicContact CE2-CD1 3.43Å; F108-I115 VanDerWaalsContact CE2-CD1 3.43Å; F108-I115 HydrophobicContact CE2-CG1 3.86Å; F108-I115 HydrophobicContact CZ-CD1 4.02Å
109E65.5Low85.1Confident190 Ų19069.2 Ų69.289%0.88835%0.35SS*.THydrogen-bonded Turntrans-56.6-30.3-173-70.6157.6172.500113.5N111E109-N111 PolarHBondContact O-N 2.96Å
110D61.5Low85Confident134 Ų13471 Ų7172%0.71735%0.35SS*.THydrogen-bonded Turntrans-760.1175.4-60.5-42.3000114.3F108 T112F108-D110 PolarHBondContact O-N 2.85Å; F108-D110 VanDerWaalsContact O-N 3.13Å; D110-T112 PolarHBondContact O-N 2.88Å
111N64.3Low84.9Confident71 Ų7169.5 Ų69.538%0.3834%0.342SS..SBendtrans57.70.7-179.5-81.1-47000116.6M21 F108 E109M21-N111 HydrophobicContact CE-CB 3.68Å; M21-N111 WeakPolarHBondContact CE-O 3.49Å; F108-N111 WeakPolarHBondContact O-CA 3.35Å; F108-N111 PolarHBondContact O-N 3.44Å; E109-N111 PolarHBondContact O-N 2.96Å
112T66.6Low85Confident119 Ų11974 Ų7473%0.7336%0.361SS*.SBendtrans-84.9-27.6-176.546.90000114.4D110D110-T112 PolarHBondContact O-N 2.88Å
113E77.2Confident85Confident131 Ų13179.8 Ų79.861%0.61239%0.386SS*.  trans-127.4126.5-176.9-67.3-163.1177.100113.3F108F108-E113 PolarHBondContact N-O 2.7Å
114I89.1Confident84.9Confident14 Ų1478.3 Ų78.37%0.07238%0.382CS..EExtended strand (participates in β ladder)trans-109.9115.5173.6-57.4174.8000109F22 R34 P45 Y46 V107 L116F22-I114 HydrophobicContact CE1-CD1 4.09Å; F22-I114 HydrophobicContact CZ-CD1 3.88Å; R34-I114 VanDerWaalsContact CZ-O 3.31Å; R34-I114 PolarHBondContact NH1-O 3.18Å; R34-I114 PolarHBondContact NH2-O 2.75Å; P45-I114 HydrophobicContact CG-CG2 3.83Å; Y46-I114 HydrophobicContact CD2-CD1 4.13Å; Y46-I114 HydrophobicContact CE2-CD1 3.8Å; V107-I114 HydrophobicContact CG1-CG1 4.47Å; V107-I114 HydrophobicContact CG2-CG1 4.32Å; I114-L116 HydrophobicContact CG2-CD2 4.03Å; I114-L116 HydrophobicContact CG2-CG 4.47Å; I114-L116 PolarHBondContact O-N 2.92Å
115I90.1Very high84.8Confident27 Ų2778.5 Ų78.514%0.13838%0.381CS..EExtended strand (participates in β ladder)trans-74.4119.4175.4-57.9165.2000109.5G105 I106 F108 D117 K120 I121 K124G105-I115 CarbonylContact C-O 3.59Å; G105-I115 WeakPolarHBondContact CA-O 3.29Å; I106-I115 PolarHBondContact N-O 2.67Å; I106-I115 PolarHBondContact O-N 2.68Å; F108-I115 HydrophobicContact CD2-CD1 4.18Å; F108-I115 HydrophobicContact CD2-CG1 4.3Å; F108-I115 HydrophobicContact CE2-CD1 3.43Å; F108-I115 VanDerWaalsContact CE2-CD1 3.43Å; F108-I115 HydrophobicContact CE2-CG1 3.86Å; F108-I115 HydrophobicContact CZ-CD1 4.02Å; I115-D117 HydrophobicContact CG2-CB 4.4Å; I115-K120 HydrophobicContact CG2-CB 3.61Å; I115-K120 HydrophobicContact CG2-CD 4.24Å; I115-I121 HydrophobicContact CG2-CG1 4.11Å; I115-K124 HydrophobicContact CD1-CD 4.17Å
116L91.4Very high84.9Confident4 Ų481.7 Ų81.72%0.02140%0.397CS..  trans-109.1-9.1170.8-60179.6000114.2R34 V35 A38 I42 I114 P118R34-L116 HydrophobicContact CG-CD1 4.35Å; R34-L116 VanDerWaalsContact CZ-CD1 3.46Å; V35-L116 HydrophobicContact CB-CD1 4.31Å; V35-L116 HydrophobicContact CG2-CD1 3.58Å; A38-L116 HydrophobicContact CB-CB 3.57Å; A38-L116 HydrophobicContact CB-CD1 4.27Å; I42-L116 HydrophobicContact CG2-CB 4.35Å; I42-L116 HydrophobicContact CG2-CD2 4.14Å; I114-L116 HydrophobicContact CG2-CD2 4.03Å; I114-L116 HydrophobicContact CG2-CG 4.47Å; I114-L116 PolarHBondContact O-N 2.92Å; L116-P118 WeakPolarHBondContact O-CD 3.4Å
117D91.7Very high85.1Confident58 Ų5888.9 Ų88.931%0.3143%0.427SS..  trans-64.7117.1178.9172.8-5.6000110.6I115 K119 K120 I121I115-D117 HydrophobicContact CG2-CB 4.4Å; D117-K119 PolarHBondContact O-N 2.67Å; D117-K119 VanDerWaalsContact O-N 3.15Å; D117-K119 WeakPolarHBondContact OD1-CB 3.39Å; D117-K119 PolarHBondContact OD1-N 2.87Å; D117-K120 HydrophobicContact CB-CB 4.11Å; D117-K120 HydrophobicContact CB-CD 4Å; D117-K120 HydrophobicContact CB-CG 4.13Å; D117-K120 PolarHBondContact O-N 2.83Å; D117-K120 VanDerWaalsContact O-N 3.09Å; D117-K120 WeakPolarHBondContact OD2-CD 3.24Å; D117-K120 VanDerWaalsContact OD2-CE 3.31Å; D117-K120 WeakPolarHBondContact OD2-CE 3.37Å; D117-K120 WeakPolarHBondContact OD2-CG 3.41Å; D117-I121 WeakPolarHBondContact O-CG1 3.41Å; D117-I121 PolarHBondContact O-N 2.83Å
118P91.2Very high85.2Confident45 Ų4590 Ų9029%0.29244%0.436SS..Hα-helixtrans-58.1-32.3-176.5-17.826000113.5I42 L116 K122I42-P118 HydrophobicContact CD1-CB 4.17Å; I42-P118 HydrophobicContact CD1-CG 3.76Å; I42-P118 HydrophobicContact CG1-CG 4.28Å; L116-P118 WeakPolarHBondContact O-CD 3.4Å; P118-K122 WeakPolarHBondContact O-CB 3.48Å; P118-K122 PolarHBondContact O-N 3.15Å
119K92Very high85.6Confident176 Ų17691.5 Ų91.577%0.76544%0.439SS*.Hα-helixtrans-71.5-40.1-179.9-64.3179.4-179.6175.80110.9D117 K123D117-K119 PolarHBondContact O-N 2.67Å; D117-K119 VanDerWaalsContact O-N 3.15Å; D117-K119 WeakPolarHBondContact OD1-CB 3.39Å; D117-K119 PolarHBondContact OD1-N 2.87Å; K119-K123 WeakPolarHBondContact O-CB 3.44Å; K119-K123 PolarHBondContact O-N 3.47Å; K119-K123 VanDerWaalsContact O-N 3.08Å
120K91.6Very high86.9Confident129 Ų12984.7 Ų84.756%0.56141%0.407SS*.Hα-helixtrans-70.1-43.8176.3-69.4177.7-168.8-179.90111.5I115 D117 K123 K124I115-K120 HydrophobicContact CG2-CB 3.61Å; I115-K120 HydrophobicContact CG2-CD 4.24Å; D117-K120 HydrophobicContact CB-CB 4.11Å; D117-K120 HydrophobicContact CB-CD 4Å; D117-K120 HydrophobicContact CB-CG 4.13Å; D117-K120 PolarHBondContact O-N 2.83Å; D117-K120 VanDerWaalsContact O-N 3.09Å; D117-K120 WeakPolarHBondContact OD2-CD 3.24Å; D117-K120 VanDerWaalsContact OD2-CE 3.31Å; D117-K120 WeakPolarHBondContact OD2-CE 3.37Å; D117-K120 WeakPolarHBondContact OD2-CG 3.41Å; K120-K123 PolarHBondContact O-N 2.89Å; K120-K124 WeakPolarHBondContact O-CB 3.28Å; K120-K124 PolarHBondContact O-N 2.84Å
121I92.5Very high88.3Confident0 Ų083.9 Ų83.90%040%0.401CS..Hα-helixtrans-55.1-55.8174.4-66.3164.1000109.7T104 I106 I115 D117 K123 K124 Y125T104-I121 WeakPolarHBondContact O-CG2 3.34Å; I106-I121 HydrophobicContact CD1-CB 4.5Å; I106-I121 HydrophobicContact CD1-CG2 4.26Å; I115-I121 HydrophobicContact CG2-CG1 4.11Å; D117-I121 WeakPolarHBondContact O-CG1 3.41Å; D117-I121 PolarHBondContact O-N 2.83Å; I121-K123 PolarHBondContact O-N 3.41Å; I121-K124 PolarHBondContact O-N 3.49Å; I121-Y125 WeakPolarHBondContact O-CB 3.44Å; I121-Y125 PolarHBondContact O-N 2.87Å
122K92.9Very high89.5Confident116 Ų11682.9 Ų82.950%0.50440%0.398SS..Hα-helixtrans-55.2-47.1178.8-178.7174.7-178.6178.30112.4F102 P118 L126F102-K122 HydrophobicContact CD1-CB 4.28Å; F102-K122 HydrophobicContact CD1-CG 4.01Å; F102-K122 HydrophobicContact CE1-CG 4.04Å; P118-K122 WeakPolarHBondContact O-CB 3.48Å; P118-K122 PolarHBondContact O-N 3.15Å; K122-L126 HydrophobicContact CD-CD1 4.46Å; K122-L126 HydrophobicContact CG-CD1 3.79Å; K122-L126 HydrophobicContact CG-CG 4.29Å; K122-L126 WeakPolarHBondContact O-CB 3.3Å; K122-L126 VanDerWaalsContact O-CG 3.25Å; K122-L126 WeakPolarHBondContact O-CG 3.42Å; K122-L126 PolarHBondContact O-N 3.42Å
123K93.7Very high90.6Very high168 Ų16877.2 Ų77.273%0.7336%0.363SS*.Hα-helixtrans-65.7-40.2-179.5-172.3177.7-179.9-179.50112.5K119 K120 I121 K127K119-K123 WeakPolarHBondContact O-CB 3.44Å; K119-K123 PolarHBondContact O-N 3.47Å; K119-K123 VanDerWaalsContact O-N 3.08Å; K120-K123 PolarHBondContact O-N 2.89Å; I121-K123 PolarHBondContact O-N 3.41Å; K123-K127 PolarHBondContact O-N 3.49Å
124K91.6Very high91.3Very high73 Ų7375.3 Ų75.332%0.31735%0.353SS..Hα-helixtrans-69.5-43.9178.9-168.6171.1176.8-174.70110.8I106 I115 K120 I121 K127 S128I106-K124 HydrophobicContact CD1-CB 3.9Å; I106-K124 HydrophobicContact CD1-CD 3.94Å; I106-K124 HydrophobicContact CD1-CG 4.07Å; I106-K124 HydrophobicContact CG2-CD 4.04Å; I115-K124 HydrophobicContact CD1-CD 4.17Å; K120-K124 WeakPolarHBondContact O-CB 3.28Å; K120-K124 PolarHBondContact O-N 2.84Å; I121-K124 PolarHBondContact O-N 3.49Å; K124-K127 PolarHBondContact O-N 2.93Å; K124-S128 PolarHBondContact O-N 3.13Å; K124-S128 PolarHBondContact O-OG 3.44Å; K124-S128 VanDerWaalsContact O-OG 3.07Å
125Y92.1Very high91.3Very high18 Ų1876.9 Ų76.97%0.07136%0.363CS..Hα-helixtrans-68.4-42.7-179.9-175.1-127.9000113.6L98 N101 F102 I121 K127 S128 W129 F130 D133L98-Y125 HydrophobicContact CD1-CE1 3.95Å; L98-Y125 VanDerWaalsContact CD1-OH 3.28Å; L98-Y125 WeakPolarHBondContact CD1-OH 3.28Å; N101-Y125 HydrophobicContact CB-CE1 3.91Å; N101-Y125 HydrophobicContact CB-CE2 4.32Å; F102-Y125 AromaticContact CD1-CD1 3.96Å; F102-Y125 HydrophobicContact CD1-CD1 3.96Å; F102-Y125 HydrophobicContact CD2-CD1 4.35Å; F102-Y125 HydrophobicContact CD2-CE1 4.25Å; F102-Y125 AromaticContact CE1-CD1 3.77Å; F102-Y125 HydrophobicContact CE1-CD1 3.77Å; F102-Y125 HydrophobicContact CE1-CE1 4.39Å; F102-Y125 HydrophobicContact CE2-CD1 4.17Å; F102-Y125 AromaticContact CE2-CE1 3.98Å; F102-Y125 HydrophobicContact CE2-CE1 3.98Å; F102-Y125 HydrophobicContact CG-CD1 4.25Å; F102-Y125 AromaticContact CZ-CD1 3.88Å; F102-Y125 HydrophobicContact CZ-CD1 3.88Å; F102-Y125 HydrophobicContact CZ-CE1 4.06Å; I121-Y125 WeakPolarHBondContact O-CB 3.44Å; I121-Y125 PolarHBondContact O-N 2.87Å; Y125-K127 PolarHBondContact O-N 2.95Å; Y125-S128 PolarHBondContact O-N 3.23Å; Y125-S128 PolarHBondContact O-OG 3.04Å; Y125-W129 HydrophobicContact CD2-CB 4.43Å; Y125-W129 HydrophobicContact CE2-CB 4.01Å; Y125-W129 PolarHBondContact O-N 3.03Å; Y125-F130 HydrophobicContact CD1-CB 4.37Å; Y125-F130 HydrophobicContact CD1-CD2 4.49Å; Y125-F130 HydrophobicContact CE1-CB 4.31Å; Y125-F130 HydrophobicContact CE1-CD2 4.06Å; Y125-F130 WeakPolarHBondContact O-CB 3.29Å; Y125-F130 PolarHBondContact O-N 3.35Å; Y125-D133 WeakPolarHBondContact CE2-OD2 3.28Å; Y125-D133 VanDerWaalsContact OH-CB 3.28Å; Y125-D133 WeakPolarHBondContact OH-CB 3.43Å; Y125-D133 PolarHBondContact OH-OD2 2.98Å
126L94.1Very high91.2Very high73 Ų7375.6 Ų75.638%0.38236%0.356SS..Hα-helixtrans-61.4-28.9175.4-73.9176.3000113.3F102 K122 F130F102-L126 HydrophobicContact CE1-CD2 3.87Å; F102-L126 HydrophobicContact CE1-CG 4.01Å; F102-L126 HydrophobicContact CZ-CD2 3.89Å; K122-L126 HydrophobicContact CD-CD1 4.46Å; K122-L126 HydrophobicContact CG-CD1 3.79Å; K122-L126 HydrophobicContact CG-CG 4.29Å; K122-L126 WeakPolarHBondContact O-CB 3.3Å; K122-L126 VanDerWaalsContact O-CG 3.25Å; K122-L126 WeakPolarHBondContact O-CG 3.42Å; K122-L126 PolarHBondContact O-N 3.42Å; L126-F130 HydrophobicContact CD2-CB 4.17Å; L126-F130 HydrophobicContact CD2-CD1 3.57Å; L126-F130 HydrophobicContact CD2-CD2 4.02Å; L126-F130 HydrophobicContact CD2-CE1 3.93Å; L126-F130 HydrophobicContact CD2-CE2 4.35Å; L126-F130 HydrophobicContact CD2-CG 3.62Å; L126-F130 HydrophobicContact CD2-CZ 4.31Å
127K93.1Very high91.1Very high192 Ų19275.5 Ų75.584%0.83536%0.356SS*.Hα-helixtrans-82.4-22.9178.9-171.7178.9176.1-169.80113.1K123 K124 Y125K123-K127 PolarHBondContact O-N 3.49Å; K124-K127 PolarHBondContact O-N 2.93Å; Y125-K127 PolarHBondContact O-N 2.95Å
128S88.1Confident90.9Very high64 Ų6474.5 Ų74.545%0.44835%0.35SS..THydrogen-bonded Turntrans-105.4-91.6-174.7580000112.6K124 Y125K124-S128 PolarHBondContact O-N 3.13Å; K124-S128 PolarHBondContact O-OG 3.44Å; K124-S128 VanDerWaalsContact O-OG 3.07Å; Y125-S128 PolarHBondContact O-N 3.23Å; Y125-S128 PolarHBondContact O-OG 3.04Å
129W88.4Confident90.7Very high120 Ų12074.2 Ų74.246%0.45535%0.349SS..THydrogen-bonded Turntrans-95.5-11.2-163.3-63.4104.3000114.6Y125 I131 V132 D133 R184Y125-W129 HydrophobicContact CD2-CB 4.43Å; Y125-W129 HydrophobicContact CE2-CB 4.01Å; Y125-W129 PolarHBondContact O-N 3.03Å; W129-I131 VanDerWaalsContact C-N 3.32Å; W129-I131 PolarHBondContact O-N 3.39Å; W129-V132 PolarHBondContact O-N 3Å; W129-D133 PolarHBondContact O-N 2.99Å; W129-R184 VanDerWaalsContact CE3-NH1 3.33Å
130F92.1Very high90.4Very high46 Ų4668 Ų6820%0.20233%0.325CS..Hα-helixtrans-52.5-42.8-173.8172.5-105.4000114.1L98 F102 Y125 L126 V132 D133 F134L98-F130 HydrophobicContact CD1-CD2 3.93Å; L98-F130 HydrophobicContact CD1-CE2 4.07Å; L98-F130 HydrophobicContact CD2-CE2 4.45Å; F102-F130 AromaticContact CE2-CD2 3.98Å; F102-F130 HydrophobicContact CE2-CD2 3.98Å; F102-F130 AromaticContact CE2-CE2 3.89Å; F102-F130 HydrophobicContact CE2-CE2 3.89Å; F102-F130 AromaticContact CZ-CD2 3.53Å; F102-F130 HydrophobicContact CZ-CD2 3.53Å; F102-F130 AromaticContact CZ-CE2 3.62Å; F102-F130 HydrophobicContact CZ-CE2 3.62Å; F102-F130 HydrophobicContact CZ-CG 4.44Å; Y125-F130 HydrophobicContact CD1-CB 4.37Å; Y125-F130 HydrophobicContact CD1-CD2 4.49Å; Y125-F130 HydrophobicContact CE1-CB 4.31Å; Y125-F130 HydrophobicContact CE1-CD2 4.06Å; Y125-F130 WeakPolarHBondContact O-CB 3.29Å; Y125-F130 PolarHBondContact O-N 3.35Å; L126-F130 HydrophobicContact CD2-CB 4.17Å; L126-F130 HydrophobicContact CD2-CD1 3.57Å; L126-F130 HydrophobicContact CD2-CD2 4.02Å; L126-F130 HydrophobicContact CD2-CE1 3.93Å; L126-F130 HydrophobicContact CD2-CE2 4.35Å; L126-F130 HydrophobicContact CD2-CG 3.62Å; L126-F130 HydrophobicContact CD2-CZ 4.31Å; F130-V132 PolarHBondContact O-N 2.96Å; F130-D133 PolarHBondContact O-N 3.4Å; F130-F134 HydrophobicContact CE1-CB 4.37Å; F130-F134 HydrophobicContact CE1-CG 4.46Å; F130-F134 HydrophobicContact CE2-CB 4.11Å; F130-F134 HydrophobicContact CE2-CD2 4.1Å; F130-F134 HydrophobicContact CE2-CG 4.43Å; F130-F134 HydrophobicContact CZ-CB 4.03Å; F130-F134 AromaticContact CZ-CD2 3.72Å; F130-F134 HydrophobicContact CZ-CD2 3.72Å; F130-F134 HydrophobicContact CZ-CE2 4.37Å; F130-F134 HydrophobicContact CZ-CG 4Å; F130-F134 WeakPolarHBondContact O-CB 3.2Å; F130-F134 PolarHBondContact O-N 2.97Å
131I90.9Very high89.9Confident118 Ų11862.2 Ų62.261%0.60530%0.3SS*.Hα-helixtrans-63.7-45.6-176.3-60.3176.1000110.8W129 F134 V135W129-I131 VanDerWaalsContact C-N 3.32Å; W129-I131 PolarHBondContact O-N 3.39Å; I131-F134 PolarHBondContact O-N 2.98Å; I131-V135 WeakPolarHBondContact O-CG2 3.4Å; I131-V135 PolarHBondContact O-N 3.4Å
132V88.9Confident89.5Confident49 Ų4964.4 Ų64.430%0.29731%0.309SS..Hα-helixtrans-67.5-44.4179.2-175.80000110.5W129 F130 F134 S136 L177 S180W129-V132 PolarHBondContact O-N 3Å; F130-V132 PolarHBondContact O-N 2.96Å; V132-F134 PolarHBondContact O-N 3.34Å; V132-S136 WeakPolarHBondContact O-CB 3.45Å; V132-S136 PolarHBondContact O-N 3.06Å; V132-S136 PolarHBondContact O-OG 2.79Å; V132-L177 HydrophobicContact CG1-CB 4.13Å; V132-S180 WeakPolarHBondContact CG1-OG 3.38Å
133D90.3Very high89.1Confident1 Ų162.9 Ų62.91%0.00531%0.306CS..Hα-helixtrans-64.2-41.5177.8-73.8-27.8000111.7L98 Y125 W129 F130 S136 S137 R181 R184L98-D133 HydrophobicContact CD1-CB 3.97Å; Y125-D133 WeakPolarHBondContact CE2-OD2 3.28Å; Y125-D133 VanDerWaalsContact OH-CB 3.28Å; Y125-D133 WeakPolarHBondContact OH-CB 3.43Å; Y125-D133 PolarHBondContact OH-OD2 2.98Å; W129-D133 PolarHBondContact O-N 2.99Å; F130-D133 PolarHBondContact O-N 3.4Å; D133-S136 WeakPolarHBondContact CA-OG 3.28Å; D133-S136 PolarHBondContact O-N 3.18Å; D133-S136 PolarHBondContact O-OG 3.23Å; D133-S137 VanDerWaalsContact O-CB 3.27Å; D133-S137 WeakPolarHBondContact O-CB 3.24Å; D133-S137 PolarHBondContact O-N 3.39Å; D133-S137 PolarHBondContact O-OG 3.3Å; D133-R181 PolarHBondContact O-NH2 2.93Å; D133-R181 IonicContact OD1-CZ 3.54Å; D133-R181 IonicContact OD1-NE 2.69Å; D133-R181 PolarHBondContact OD1-NE 3.38Å; D133-R181 IonicContact OD1-NH2 2.68Å; D133-R181 PolarHBondContact OD1-NH2 3.45Å; D133-R184 VanDerWaalsContact CG-NH2 3.28Å; D133-R184 IonicContact OD1-CZ 2.62Å; D133-R184 IonicContact OD1-NH2 3.1Å; D133-R184 PolarHBondContact OD1-NH2 3.34Å; D133-R184 IonicContact OD2-NH2 3.55Å; D133-R184 PolarHBondContact OD2-NH2 3.19Å
134F91.4Very high88.6Confident90 Ų9057.8 Ų57.840%0.39528%0.283SS..Hα-helixtrans-63.3-51.6177.8179.3-98.7000112.4L98 F130 I131 V132 S136 S137 I138L98-F134 HydrophobicContact CD2-CB 4.38Å; L98-F134 HydrophobicContact CD2-CD2 4.06Å; F130-F134 HydrophobicContact CE1-CB 4.37Å; F130-F134 HydrophobicContact CE1-CG 4.46Å; F130-F134 HydrophobicContact CE2-CB 4.11Å; F130-F134 HydrophobicContact CE2-CD2 4.1Å; F130-F134 HydrophobicContact CE2-CG 4.43Å; F130-F134 HydrophobicContact CZ-CB 4.03Å; F130-F134 AromaticContact CZ-CD2 3.72Å; F130-F134 HydrophobicContact CZ-CD2 3.72Å; F130-F134 HydrophobicContact CZ-CE2 4.37Å; F130-F134 HydrophobicContact CZ-CG 4Å; F130-F134 WeakPolarHBondContact O-CB 3.2Å; F130-F134 PolarHBondContact O-N 2.97Å; I131-F134 PolarHBondContact O-N 2.98Å; V132-F134 PolarHBondContact O-N 3.34Å; F134-S136 VanDerWaalsContact C-N 3.28Å; F134-S136 PolarHBondContact O-N 3.38Å; F134-S137 PolarHBondContact O-N 3.24Å; F134-I138 HydrophobicContact CD1-CD1 3.97Å; F134-I138 HydrophobicContact CD2-CD1 3.87Å; F134-I138 HydrophobicContact CE1-CD1 3.56Å; F134-I138 HydrophobicContact CE2-CD1 3.46Å; F134-I138 VanDerWaalsContact CE2-CD1 3.46Å; F134-I138 HydrophobicContact CG-CD1 4.12Å; F134-I138 HydrophobicContact CZ-CD1 3.29Å; F134-I138 WeakPolarHBondContact O-CG1 3.47Å; F134-I138 PolarHBondContact O-N 3.34Å
135V89Confident87.9Confident48 Ų4857.8 Ų57.829%0.29129%0.287SS..Hα-helixtrans-61.7-38.1178.2172.40000111.2I131 L174 L177I131-V135 WeakPolarHBondContact O-CG2 3.4Å; I131-V135 PolarHBondContact O-N 3.4Å; V135-L174 HydrophobicContact CG1-CB 4.33Å; V135-L174 HydrophobicContact CG1-CD1 4.25Å; V135-L174 HydrophobicContact CG1-CD2 4.48Å; V135-L177 HydrophobicContact CG1-CD1 4.1Å
136S88Confident87.5Confident0 Ų062.9 Ų62.90%031%0.314CS..Hα-helixtrans-76.8-17.8179.771.40000114.7V132 D133 F134 R178 R181V132-S136 WeakPolarHBondContact O-CB 3.45Å; V132-S136 PolarHBondContact O-N 3.06Å; V132-S136 PolarHBondContact O-OG 2.79Å; D133-S136 WeakPolarHBondContact CA-OG 3.28Å; D133-S136 PolarHBondContact O-N 3.18Å; D133-S136 PolarHBondContact O-OG 3.23Å; F134-S136 VanDerWaalsContact C-N 3.28Å; F134-S136 PolarHBondContact O-N 3.38Å; S136-R178 VanDerWaalsContact O-CZ 3.29Å; S136-R178 PolarHBondContact O-NE 3.18Å; S136-R178 PolarHBondContact O-NH2 3.17Å; S136-R181 PolarHBondContact OG-NH2 3.16Å
137S89.1Confident86.9Confident2 Ų263 Ų631%0.01432%0.318CS..Hα-helixtrans-95.3-13-179.8-69.80000114.1F94 D133 F134 R181F94-S137 PolarHBondContact O-OG 3.02Å; D133-S137 VanDerWaalsContact O-CB 3.27Å; D133-S137 WeakPolarHBondContact O-CB 3.24Å; D133-S137 PolarHBondContact O-N 3.39Å; D133-S137 PolarHBondContact O-OG 3.3Å; F134-S137 PolarHBondContact O-N 3.24Å; S137-R181 PolarHBondContact OG-NH2 3.35Å; S137-R181 VanDerWaalsContact OG-NH2 3.09Å
138I88.2Confident85.9Confident37 Ų3755.9 Ų55.919%0.1929%0.287CS..SBendtrans-96138-175.9-73.1176000111.7F134 V140 I143F134-I138 HydrophobicContact CD1-CD1 3.97Å; F134-I138 HydrophobicContact CD2-CD1 3.87Å; F134-I138 HydrophobicContact CE1-CD1 3.56Å; F134-I138 HydrophobicContact CE2-CD1 3.46Å; F134-I138 VanDerWaalsContact CE2-CD1 3.46Å; F134-I138 HydrophobicContact CG-CD1 4.12Å; F134-I138 HydrophobicContact CZ-CD1 3.29Å; F134-I138 WeakPolarHBondContact O-CG1 3.47Å; F134-I138 PolarHBondContact O-N 3.34Å; I138-V140 HydrophobicContact CB-CG2 4.37Å; I138-V140 HydrophobicContact CG2-CG2 3.97Å; I138-V140 PolarHBondContact O-N 3.31Å; I138-I143 HydrophobicContact CG2-CD1 3.53Å
139P87.3Confident85.2Confident39 Ų3960.3 Ų60.325%0.25330%0.298SS..  trans-73.171.2170.230.1-35.4000111.8D91 D141 Y142 I143D91-P139 WeakPolarHBondContact OD2-CB 3.32Å; P139-D141 PolarHBondContact O-N 3.13Å; P139-Y142 HydrophobicContact CB-CD2 3.8Å; P139-Y142 HydrophobicContact CB-CG 4.49Å; P139-Y142 PolarHBondContact O-N 3.12Å; P139-I143 HydrophobicContact CG-CD1 4.42Å; P139-I143 VanDerWaalsContact O-CG1 3.31Å; P139-I143 WeakPolarHBondContact O-CG1 3.22Å; P139-I143 PolarHBondContact O-N 3.43Å
140V84.3Confident84.1Confident46 Ų4657.8 Ų57.828%0.27931%0.309SS..Hα-helixtrans-60.1-34.2-178.3-176.60000111.3I138 F144 L171 L174I138-V140 HydrophobicContact CB-CG2 4.37Å; I138-V140 HydrophobicContact CG2-CG2 3.97Å; I138-V140 PolarHBondContact O-N 3.31Å; V140-F144 VanDerWaalsContact O-CB 3.25Å; V140-F144 WeakPolarHBondContact O-CB 3.4Å; V140-F144 PolarHBondContact O-N 3.09Å; V140-L171 HydrophobicContact CG1-CB 4.45Å; V140-L171 HydrophobicContact CG1-CD1 4.31Å; V140-L171 HydrophobicContact CG1-CD2 4.11Å; V140-L174 HydrophobicContact CG1-CD1 4.49Å; V140-L174 HydrophobicContact CG2-CD1 4.42Å
141D82Confident82.9Confident7 Ų760.4 Ų60.44%0.03733%0.325CS..Hα-helixtrans-63.6-52.1175.452.9-3.6000113.2P139 F144 L145 S172 R175P139-D141 PolarHBondContact O-N 3.13Å; D141-F144 PolarHBondContact O-N 3.48Å; D141-L145 WeakPolarHBondContact O-CG 3.46Å; D141-L145 PolarHBondContact O-N 3.32Å; D141-S172 WeakPolarHBondContact CB-OG 3.47Å; D141-S172 WeakPolarHBondContact OD2-CB 3.19Å; D141-S172 PolarHBondContact OD2-OG 2.84Å; D141-R175 IonicContact OD1-CZ 3.75Å; D141-R175 IonicContact OD1-NH1 3.64Å; D141-R175 IonicContact OD1-NH2 3.46Å; D141-R175 PolarHBondContact OD1-NH2 3.23Å; D141-R175 IonicContact OD2-CZ 3.59Å; D141-R175 IonicContact OD2-NH1 3.27Å; D141-R175 PolarHBondContact OD2-NH1 3.39Å; D141-R175 IonicContact OD2-NH2 3.99Å; D141-R175 PolarHBondContact OD2-NH2 3.4Å
142Y84.2Confident81.1Confident45 Ų4559.1 Ų59.118%0.17632%0.319CS..Hα-helixtrans-68-36.5178.2-63.2-54.9000112.5I84 N87 P139 L145 I146I84-Y142 HydrophobicContact CG1-CE1 4.4Å; N87-Y142 HydrophobicContact CB-CE2 3.82Å; N87-Y142 PolarHBondContact ND2-OH 3.34Å; N87-Y142 VanDerWaalsContact ND2-OH 3.15Å; P139-Y142 HydrophobicContact CB-CD2 3.8Å; P139-Y142 HydrophobicContact CB-CG 4.49Å; P139-Y142 PolarHBondContact O-N 3.12Å; Y142-L145 HydrophobicContact CD1-CD1 4.34Å; Y142-L145 PolarHBondContact O-N 3.47Å; Y142-I146 WeakPolarHBondContact O-CD1 3.46Å; Y142-I146 VanDerWaalsContact O-CG1 3.25Å; Y142-I146 WeakPolarHBondContact O-CG1 3.43Å; Y142-I146 PolarHBondContact O-N 3.45Å
143I85Confident79.6Confident85 Ų8562.1 Ų62.144%0.43634%0.342SS..Hα-helixtrans-62.6-46.2175-67.7167.8000110.2I138 P139 L145 I146 V147I138-I143 HydrophobicContact CG2-CD1 3.53Å; P139-I143 HydrophobicContact CG-CD1 4.42Å; P139-I143 VanDerWaalsContact O-CG1 3.31Å; P139-I143 WeakPolarHBondContact O-CG1 3.22Å; P139-I143 PolarHBondContact O-N 3.43Å; I143-L145 PolarHBondContact O-N 3.11Å; I143-I146 PolarHBondContact O-N 3.13Å; I143-V147 HydrophobicContact CG2-CG2 4.4Å; I143-V147 WeakPolarHBondContact O-CG2 3.46Å; I143-V147 PolarHBondContact O-N 3.46Å
144F81.7Confident78Confident60 Ų6070.9 Ų70.926%0.26338%0.383SS..Hα-helixtrans-61.4-43.3177-177.5-100.6000112.2V140 D141 I146 V147 E148 I164 F167 T168 L171V140-F144 VanDerWaalsContact O-CB 3.25Å; V140-F144 WeakPolarHBondContact O-CB 3.4Å; V140-F144 PolarHBondContact O-N 3.09Å; D141-F144 PolarHBondContact O-N 3.48Å; F144-I146 PolarHBondContact O-N 3.39Å; F144-V147 PolarHBondContact O-N 3.37Å; F144-E148 PolarHBondContact O-N 3.06Å; F144-I164 HydrophobicContact CE1-CG2 4.19Å; F144-F167 AromaticContact CE1-CD1 3.91Å; F144-F167 HydrophobicContact CE1-CD1 3.91Å; F144-F167 HydrophobicContact CE1-CE1 4.47Å; F144-F167 HydrophobicContact CE2-CD1 4.44Å; F144-F167 HydrophobicContact CE2-CE1 4.23Å; F144-F167 AromaticContact CZ-CD1 3.88Å; F144-F167 HydrophobicContact CZ-CD1 3.88Å; F144-F167 HydrophobicContact CZ-CE1 4.11Å; F144-T168 HydrophobicContact CD1-CG2 3.73Å; F144-T168 HydrophobicContact CE1-CG2 4.24Å; F144-L171 HydrophobicContact CB-CD1 4.1Å; F144-L171 HydrophobicContact CD1-CD1 4.25Å; F144-L171 HydrophobicContact CG-CD1 4.04Å
145L78.6Confident76.1Confident74 Ų7468.8 Ų68.839%0.38738%0.377SS..Hα-helixtrans-61.4-38.9175.2-75.9170.3000113.1D141 Y142 I143 K149 T168D141-L145 WeakPolarHBondContact O-CG 3.46Å; D141-L145 PolarHBondContact O-N 3.32Å; Y142-L145 HydrophobicContact CD1-CD1 4.34Å; Y142-L145 PolarHBondContact O-N 3.47Å; I143-L145 PolarHBondContact O-N 3.11Å; L145-K149 WeakPolarHBondContact O-CB 3.4Å; L145-K149 PolarHBondContact O-N 2.97Å; L145-K149 VanDerWaalsContact O-N 3.14Å; L145-T168 HydrophobicContact CD1-CG2 4.43Å; L145-T168 HydrophobicContact CD2-CG2 3.88Å; L145-T168 HydrophobicContact CG-CG2 3.87Å
146I82.7Confident74.4Confident124 Ų12474 Ų7464%0.63639%0.393SS*.Hα-helixtrans-69.3-42.4176.9-69.6163.8000110.8Y142 I143 F144 G150Y142-I146 WeakPolarHBondContact O-CD1 3.46Å; Y142-I146 VanDerWaalsContact O-CG1 3.25Å; Y142-I146 WeakPolarHBondContact O-CG1 3.43Å; Y142-I146 PolarHBondContact O-N 3.45Å; I143-I146 PolarHBondContact O-N 3.13Å; F144-I146 PolarHBondContact O-N 3.39Å; I146-G150 PolarHBondContact O-N 2.87Å; I146-G150 VanDerWaalsContact O-N 3.08Å
147V81.4Confident73Confident77 Ų7782.2 Ų82.247%0.46743%0.429SS..Hα-helixtrans-65.5-49179.3170.30000111.3I143 F144 K149 G150 I151I143-V147 HydrophobicContact CG2-CG2 4.4Å; I143-V147 WeakPolarHBondContact O-CG2 3.46Å; I143-V147 PolarHBondContact O-N 3.46Å; F144-V147 PolarHBondContact O-N 3.37Å; V147-K149 VanDerWaalsContact C-N 3.33Å; V147-K149 PolarHBondContact O-N 3.5Å; V147-G150 PolarHBondContact O-N 3.25Å; V147-I151 HydrophobicContact CG1-CD1 3.71Å; V147-I151 WeakPolarHBondContact O-CG1 3.18Å; V147-I151 PolarHBondContact O-N 3.4Å
148E73.1Confident71.5Confident42 Ų4287.7 Ų87.720%0.19646%0.462CS..Hα-helixtrans-63.3-39.6178.6-171.577.1172.300111.1F144 G150 I151 R160 I164F144-E148 PolarHBondContact O-N 3.06Å; E148-G150 PolarHBondContact O-N 3.09Å; E148-I151 PolarHBondContact O-N 2.93Å; E148-I151 VanDerWaalsContact O-N 3.15Å; E148-R160 IonicContact OE1-CZ 3.16Å; E148-R160 IonicContact OE1-NE 3.54Å; E148-R160 IonicContact OE1-NH2 3.39Å; E148-R160 PolarHBondContact OE1-NH2 3Å; E148-R160 IonicContact OE2-NH2 3.41Å; E148-I164 HydrophobicContact CG-CD1 4.12Å; E148-I164 WeakPolarHBondContact OE1-CD1 3.13Å
149K72.4Confident70Confident156 Ų15689.5 Ų89.568%0.67848%0.483SS*.Hα-helixtrans-64.7-23.7174.9-172.3175.6-178.4-178.70113.2L145 V147L145-K149 WeakPolarHBondContact O-CB 3.4Å; L145-K149 PolarHBondContact O-N 2.97Å; L145-K149 VanDerWaalsContact O-N 3.14Å; V147-K149 VanDerWaalsContact C-N 3.33Å; V147-K149 PolarHBondContact O-N 3.5Å
150G66.3Low68.8Low67 Ų6793.4 Ų93.469%0.69149%0.492SS*.Hα-helixtrans-85.7-12.3175.400000114.8I146 V147 E148I146-G150 PolarHBondContact O-N 2.87Å; I146-G150 VanDerWaalsContact O-N 3.08Å; V147-G150 PolarHBondContact O-N 3.25Å; E148-G150 PolarHBondContact O-N 3.09Å
151I65.9Low67.8Low102 Ų10292.4 Ų92.452%0.52349%0.489SS..Hα-helixtrans-95.3-37.2-169.9-76.1172.1000113.7V147 E148V147-I151 HydrophobicContact CG1-CD1 3.71Å; V147-I151 WeakPolarHBondContact O-CG1 3.18Å; V147-I151 PolarHBondContact O-N 3.4Å; E148-I151 PolarHBondContact O-N 2.93Å; E148-I151 VanDerWaalsContact O-N 3.15Å
152D53.1Low66.9Low90 Ų9096.8 Ų96.848%0.48151%0.512SS..  trans-157.8121.1175.6-89.2-50.5000114.3V155D152-V155 HydrophobicContact CB-CB 3.82Å; D152-V155 HydrophobicContact CB-CG2 3.46Å; D152-V155 VanDerWaalsContact CB-CG2 3.46Å
153S57Low66Low113 Ų113104 Ų10479%0.7954%0.539SS*.THydrogen-bonded Turntrans-74.8-20.5176.9-65.90000114.8
154E56.8Low65.3Low185 Ų185101.5 Ų101.586%0.86453%0.526SS*.THydrogen-bonded Turntrans-95.9-1.8-177.1-64.2-150.9154.800114.4Y156E154-Y156 VanDerWaalsContact C-N 3.33Å; E154-Y156 PolarHBondContact O-N 3.03Å
155V52.4Low64.8Low45 Ų45102.3 Ų102.327%0.27354%0.536SS..  trans-89.76.4-168.7171.10000113.8D152 K157 R160D152-V155 HydrophobicContact CB-CB 3.82Å; D152-V155 HydrophobicContact CB-CG2 3.46Å; D152-V155 VanDerWaalsContact CB-CG2 3.46Å; V155-K157 PolarHBondContact O-N 3.08Å; V155-R160 VanDerWaalsContact CG1-CZ 3.44Å
156Y54Low64.4Low159 Ų159101.9 Ų101.962%0.62453%0.529SS*.  trans-71.945.8171.1-76.9-81.5000114.3E154 T158 A161E154-Y156 VanDerWaalsContact C-N 3.33Å; E154-Y156 PolarHBondContact O-N 3.03Å; Y156-T158 PolarHBondContact O-N 3.44Å; Y156-A161 HydrophobicContact CD1-CB 4.15Å
157K58Low64.1Low172 Ų172100.7 Ų100.775%0.74852%0.519SS*.  trans-67.2118.9158.6-72.2-176.4179.5176.20107.9V155 A159 R160 A161V155-K157 PolarHBondContact O-N 3.08Å; K157-A159 PolarHBondContact O-N 2.88Å; K157-R160 PolarHBondContact O-N 3.49Å; K157-A161 PolarHBondContact O-N 3.13Å
158T57Low63.9Low116 Ų11697.6 Ų97.671%0.71250%0.501SS*.Hα-helixtrans-46.7-37.8-166.847.80000115.2Y156 R160 A161 L162Y156-T158 PolarHBondContact O-N 3.44Å; T158-R160 PolarHBondContact O-N 2.98Å; T158-A161 PolarHBondContact O-N 3.24Å; T158-L162 PolarHBondContact O-N 2.91Å; T158-L162 VanDerWaalsContact O-N 3.16Å
159A56.6Low64Low75 Ų7596.5 Ų96.562%0.6250%0.495SS*.Hα-helixtrans-66.7-31.2177.600000114.8K157K157-A159 PolarHBondContact O-N 2.88Å
160R63.1Low64.4Low121 Ų12193.2 Ų93.246%0.45748%0.484SS..Hα-helixtrans-76.9-39.4174.9-178.4173.6166.1169.5-7.1110.6E148 V155 K157 T158 L162 R163 I164E148-R160 IonicContact OE1-CZ 3.16Å; E148-R160 IonicContact OE1-NE 3.54Å; E148-R160 IonicContact OE1-NH2 3.39Å; E148-R160 PolarHBondContact OE1-NH2 3Å; E148-R160 IonicContact OE2-NH2 3.41Å; V155-R160 VanDerWaalsContact CG1-CZ 3.44Å; K157-R160 PolarHBondContact O-N 3.49Å; T158-R160 PolarHBondContact O-N 2.98Å; R160-L162 PolarHBondContact O-N 3.39Å; R160-R163 PolarHBondContact O-N 3.41Å; R160-I164 HydrophobicContact CG-CD1 3.81Å; R160-I164 WeakPolarHBondContact O-CG1 3.34Å; R160-I164 PolarHBondContact O-N 2.75Å
161A62.7Low65.1Low25 Ų2591.4 Ų91.421%0.20746%0.458CS..Hα-helixtrans-59.9-45.3177.700000112.7Y156 K157 T158 R163 I164 V165Y156-A161 HydrophobicContact CD1-CB 4.15Å; K157-A161 PolarHBondContact O-N 3.13Å; T158-A161 PolarHBondContact O-N 3.24Å; A161-R163 VanDerWaalsContact C-N 3.32Å; A161-R163 PolarHBondContact O-N 3.47Å; A161-I164 WeakPolarHBondContact O-CB 3.41Å; A161-I164 PolarHBondContact O-N 3.2Å; A161-V165 WeakPolarHBondContact O-CG2 3.48Å; A161-V165 PolarHBondContact O-N 3.49Å
162L63.6Low65.7Low100 Ų10086.8 Ų86.852%0.52444%0.435SS..Hα-helixtrans-60.8-38.9176.6-73.2170.8000112.9T158 R160 V165 R166T158-L162 PolarHBondContact O-N 2.91Å; T158-L162 VanDerWaalsContact O-N 3.16Å; R160-L162 PolarHBondContact O-N 3.39Å; L162-V165 PolarHBondContact O-N 2.88Å; L162-R166 WeakPolarHBondContact O-CG 3.36Å; L162-R166 PolarHBondContact O-N 3.12Å; L162-R166 VanDerWaalsContact O-N 3.16Å
163R64.8Low67.1Low195 Ų19584.7 Ų84.774%0.73642%0.424SS*.Hα-helixtrans-67.1-38.8176.5-168.1-177.9-62179.40.3111.9R160 A161 R166 F167R160-R163 PolarHBondContact O-N 3.41Å; A161-R163 VanDerWaalsContact C-N 3.32Å; A161-R163 PolarHBondContact O-N 3.47Å; R163-R166 PolarHBondContact O-N 2.91Å; R163-F167 PolarHBondContact O-N 2.96Å
164I71.3Confident68.5Low33 Ų3382.1 Ų82.117%0.16940%0.401CS..Hα-helixtrans-62.8-45.3175.7-73.8164.6000110.8F144 E148 R160 A161 R166 F167 T168F144-I164 HydrophobicContact CE1-CG2 4.19Å; E148-I164 HydrophobicContact CG-CD1 4.12Å; E148-I164 WeakPolarHBondContact OE1-CD1 3.13Å; R160-I164 HydrophobicContact CG-CD1 3.81Å; R160-I164 WeakPolarHBondContact O-CG1 3.34Å; R160-I164 PolarHBondContact O-N 2.75Å; A161-I164 WeakPolarHBondContact O-CB 3.41Å; A161-I164 PolarHBondContact O-N 3.2Å; I164-R166 VanDerWaalsContact C-N 3.33Å; I164-R166 PolarHBondContact O-N 3.46Å; I164-F167 PolarHBondContact O-N 2.87Å; I164-F167 VanDerWaalsContact O-N 3.11Å; I164-T168 PolarHBondContact O-N 3.27Å; I164-T168 PolarHBondContact O-OG1 2.94Å
165V69.3Low69.8Low77 Ų7773.6 Ų73.647%0.46736%0.361SS..Hα-helixtrans-62.8-36.7177.3172.80000112.4A161 L162 T168 K169A161-V165 WeakPolarHBondContact O-CG2 3.48Å; A161-V165 PolarHBondContact O-N 3.49Å; L162-V165 PolarHBondContact O-N 2.88Å; V165-T168 WeakPolarHBondContact CA-OG1 3.33Å; V165-T168 PolarHBondContact O-OG1 3.44Å; V165-K169 WeakPolarHBondContact O-CG 3.46Å; V165-K169 PolarHBondContact O-N 3.43Å
166R71.5Confident71.4Confident65 Ų6573 Ų7325%0.24536%0.356CS..Hα-helixtrans-67.7-38.3172.8-68.7179.2-147.8-173.910.2112.1L162 R163 I164 K169 I170 L230 D232L162-R166 WeakPolarHBondContact O-CG 3.36Å; L162-R166 PolarHBondContact O-N 3.12Å; L162-R166 VanDerWaalsContact O-N 3.16Å; R163-R166 PolarHBondContact O-N 2.91Å; I164-R166 VanDerWaalsContact C-N 3.33Å; I164-R166 PolarHBondContact O-N 3.46Å; R166-K169 PolarHBondContact O-N 3.32Å; R166-I170 WeakPolarHBondContact O-CG1 3.24Å; R166-I170 PolarHBondContact O-N 2.81Å; R166-L230 HydrophobicContact CB-CD2 3.9Å; R166-L230 WeakPolarHBondContact CD-O 3.2Å; R166-L230 HydrophobicContact CG-CD2 3.84Å; R166-L230 PolarHBondContact NH1-O 3.46Å; R166-D232 IonicContact CZ-OD1 2.75Å; R166-D232 VanDerWaalsContact CZ-OD1 3.27Å; R166-D232 IonicContact CZ-OD2 2.69Å; R166-D232 IonicContact NH1-OD1 2.96Å; R166-D232 IonicContact NH1-OD2 3.32Å; R166-D232 PolarHBondContact NH1-OD2 3.1Å; R166-D232 IonicContact NH2-OD1 3.97Å; R166-D232 PolarHBondContact NH2-OD1 3.46Å; R166-D232 IonicContact NH2-OD2 3.55Å; R166-D232 PolarHBondContact NH2-OD2 2.89Å
167F76.9Confident72.9Confident99 Ų9969 Ų6943%0.43435%0.345SS..Hα-helixtrans-68.4-39177.5-169.8-111000112.2F144 R163 I164 K169 I170 L171F144-F167 AromaticContact CE1-CD1 3.91Å; F144-F167 HydrophobicContact CE1-CD1 3.91Å; F144-F167 HydrophobicContact CE1-CE1 4.47Å; F144-F167 HydrophobicContact CE2-CD1 4.44Å; F144-F167 HydrophobicContact CE2-CE1 4.23Å; F144-F167 AromaticContact CZ-CD1 3.88Å; F144-F167 HydrophobicContact CZ-CD1 3.88Å; F144-F167 HydrophobicContact CZ-CE1 4.11Å; R163-F167 PolarHBondContact O-N 2.96Å; I164-F167 PolarHBondContact O-N 2.87Å; I164-F167 VanDerWaalsContact O-N 3.11Å; F167-K169 PolarHBondContact O-N 2.96Å; F167-I170 PolarHBondContact O-N 3.38Å; F167-L171 HydrophobicContact CD1-CD1 3.84Å; F167-L171 HydrophobicContact CD1-CG 4.27Å; F167-L171 HydrophobicContact CE1-CD1 3.66Å; F167-L171 HydrophobicContact CE1-CD2 4.28Å; F167-L171 HydrophobicContact CE1-CG 4.06Å; F167-L171 HydrophobicContact CZ-CD1 4.44Å; F167-L171 HydrophobicContact CZ-CD2 4.27Å; F167-L171 HydrophobicContact CZ-CG 4.42Å; F167-L171 WeakPolarHBondContact O-CG 3.46Å; F167-L171 PolarHBondContact O-N 3.17Å
168T76.2Confident74.2Confident12 Ų1260.8 Ų60.87%0.07431%0.309CS..Hα-helixtrans-62.6-42.6174.849.50000112F144 L145 I164 V165 I170 L171 S172F144-T168 HydrophobicContact CD1-CG2 3.73Å; F144-T168 HydrophobicContact CE1-CG2 4.24Å; L145-T168 HydrophobicContact CD1-CG2 4.43Å; L145-T168 HydrophobicContact CD2-CG2 3.88Å; L145-T168 HydrophobicContact CG-CG2 3.87Å; I164-T168 PolarHBondContact O-N 3.27Å; I164-T168 PolarHBondContact O-OG1 2.94Å; V165-T168 WeakPolarHBondContact CA-OG1 3.33Å; V165-T168 PolarHBondContact O-OG1 3.44Å; T168-I170 VanDerWaalsContact C-N 3.27Å; T168-I170 PolarHBondContact O-N 2.86Å; T168-L171 WeakPolarHBondContact O-CB 3.44Å; T168-L171 PolarHBondContact O-N 2.99Å; T168-L171 VanDerWaalsContact O-N 3.08Å; T168-S172 PolarHBondContact O-N 3.3Å; T168-S172 PolarHBondContact O-OG 2.86Å
169K75.5Confident75.5Confident20 Ų2056.8 Ų56.89%0.08728%0.283CS..Hα-helixtrans-54.7-41.9173.2-74.3175.6178.9-75.80112I72 E78 V165 R166 F167 S172 L173 M229 L230I72-K169 HydrophobicContact CG2-CB 3.91Å; I72-K169 HydrophobicContact CG2-CG 4.09Å; I72-K169 PolarHBondContact O-NZ 3.11Å; E78-K169 WeakPolarHBondContact OE1-CE 3.35Å; E78-K169 IonicContact OE1-NZ 2.73Å; E78-K169 PolarHBondContact OE1-NZ 2.79Å; V165-K169 WeakPolarHBondContact O-CG 3.46Å; V165-K169 PolarHBondContact O-N 3.43Å; R166-K169 PolarHBondContact O-N 3.32Å; F167-K169 PolarHBondContact O-N 2.96Å; K169-S172 PolarHBondContact O-N 2.8Å; K169-L173 PolarHBondContact O-N 2.98Å; K169-M229 HydrophobicContact CD-CE 4.14Å; K169-M229 HydrophobicContact CD-SD 4.18Å; K169-L230 HydrophobicContact CD-CD2 4.46Å
170I81.1Confident76.9Confident86 Ų8654.5 Ų54.544%0.44126%0.263SS..Hα-helixtrans-67.6-40.6177-64.3166.8000111.4R166 F167 T168 S172 L173R166-I170 WeakPolarHBondContact O-CG1 3.24Å; R166-I170 PolarHBondContact O-N 2.81Å; F167-I170 PolarHBondContact O-N 3.38Å; T168-I170 VanDerWaalsContact C-N 3.27Å; T168-I170 PolarHBondContact O-N 2.86Å; I170-S172 VanDerWaalsContact C-N 3.34Å; I170-S172 PolarHBondContact O-N 3.16Å; I170-L173 WeakPolarHBondContact O-CB 3.37Å; I170-L173 PolarHBondContact O-N 3.33Å
171L81.6Confident77.9Confident29 Ų2948.8 Ų48.815%0.15224%0.241CC..Hα-helixtrans-64-37.5174.8-67.6174.2000112.2V140 F144 F167 T168 L173 L174V140-L171 HydrophobicContact CG1-CB 4.45Å; V140-L171 HydrophobicContact CG1-CD1 4.31Å; V140-L171 HydrophobicContact CG1-CD2 4.11Å; F144-L171 HydrophobicContact CB-CD1 4.1Å; F144-L171 HydrophobicContact CD1-CD1 4.25Å; F144-L171 HydrophobicContact CG-CD1 4.04Å; F167-L171 HydrophobicContact CD1-CD1 3.84Å; F167-L171 HydrophobicContact CD1-CG 4.27Å; F167-L171 HydrophobicContact CE1-CD1 3.66Å; F167-L171 HydrophobicContact CE1-CD2 4.28Å; F167-L171 HydrophobicContact CE1-CG 4.06Å; F167-L171 HydrophobicContact CZ-CD1 4.44Å; F167-L171 HydrophobicContact CZ-CD2 4.27Å; F167-L171 HydrophobicContact CZ-CG 4.42Å; F167-L171 WeakPolarHBondContact O-CG 3.46Å; F167-L171 PolarHBondContact O-N 3.17Å; T168-L171 WeakPolarHBondContact O-CB 3.44Å; T168-L171 PolarHBondContact O-N 2.99Å; T168-L171 VanDerWaalsContact O-N 3.08Å; L171-L173 PolarHBondContact O-N 3.13Å; L171-L174 HydrophobicContact CD2-CD1 4.15Å; L171-L174 VanDerWaalsContact O-CB 3.24Å; L171-L174 WeakPolarHBondContact O-CB 3.39Å; L171-L174 VanDerWaalsContact O-CG 3.29Å; L171-L174 WeakPolarHBondContact O-CG 3.46Å; L171-L174 PolarHBondContact O-N 3.39Å
172S77.7Confident79Confident5 Ų548 Ų484%0.03523%0.233CC..Hα-helixtrans-62.1-27.6175.9-53.60000112.8D141 T168 K169 I170 L174 R175D141-S172 WeakPolarHBondContact CB-OG 3.47Å; D141-S172 WeakPolarHBondContact OD2-CB 3.19Å; D141-S172 PolarHBondContact OD2-OG 2.84Å; T168-S172 PolarHBondContact O-N 3.3Å; T168-S172 PolarHBondContact O-OG 2.86Å; K169-S172 PolarHBondContact O-N 2.8Å; I170-S172 VanDerWaalsContact C-N 3.34Å; I170-S172 PolarHBondContact O-N 3.16Å; S172-L174 PolarHBondContact O-N 3.46Å; S172-R175 WeakPolarHBondContact O-CB 3.37Å; S172-R175 WeakPolarHBondContact O-CG 3.39Å; S172-R175 PolarHBondContact O-N 2.95Å
173L82.3Confident80Confident47 Ų4746.3 Ų46.325%0.24622%0.224CC..G310 helixtrans-68.4-14.7174.4-62.5171.7000113.5I72 K169 I170 L171 R175 L176 L226I72-L173 HydrophobicContact CD1-CD2 3.75Å; I72-L173 HydrophobicContact CD1-CG 4.24Å; K169-L173 PolarHBondContact O-N 2.98Å; I170-L173 WeakPolarHBondContact O-CB 3.37Å; I170-L173 PolarHBondContact O-N 3.33Å; L171-L173 PolarHBondContact O-N 3.13Å; L173-R175 PolarHBondContact O-N 3.06Å; L173-R175 VanDerWaalsContact O-N 3.16Å; L173-L176 HydrophobicContact CD2-CD1 3.95Å; L173-L176 VanDerWaalsContact O-CB 3.3Å; L173-L176 WeakPolarHBondContact O-CB 3.2Å; L173-L176 WeakPolarHBondContact O-CG 3.4Å; L173-L176 PolarHBondContact O-N 2.89Å; L173-L226 HydrophobicContact CD1-CD2 3.87Å
174L85.9Confident81Confident58 Ų5839.6 Ų39.630%0.30420%0.199SC..G310 helixtrans-60.3-22.9170.7-63.5173.3000112V135 V140 L171 S172 L176 L177V135-L174 HydrophobicContact CG1-CB 4.33Å; V135-L174 HydrophobicContact CG1-CD1 4.25Å; V135-L174 HydrophobicContact CG1-CD2 4.48Å; V140-L174 HydrophobicContact CG1-CD1 4.49Å; V140-L174 HydrophobicContact CG2-CD1 4.42Å; L171-L174 HydrophobicContact CD2-CD1 4.15Å; L171-L174 VanDerWaalsContact O-CB 3.24Å; L171-L174 WeakPolarHBondContact O-CB 3.39Å; L171-L174 VanDerWaalsContact O-CG 3.29Å; L171-L174 WeakPolarHBondContact O-CG 3.46Å; L171-L174 PolarHBondContact O-N 3.39Å; S172-L174 PolarHBondContact O-N 3.46Å; L174-L176 PolarHBondContact O-N 3.46Å; L174-L177 HydrophobicContact CD2-CD1 4.3Å; L174-L177 VanDerWaalsContact O-CB 3.31Å; L174-L177 WeakPolarHBondContact O-CB 3.46Å; L174-L177 WeakPolarHBondContact O-CG 3.36Å; L174-L177 PolarHBondContact O-N 3.5Å; L174-L177 VanDerWaalsContact O-N 3.16Å
175R85.2Confident81.5Confident7 Ų738.4 Ų38.43%0.02619%0.192CC..G310 helixtrans-61-22.5170.4-64.2-170177.193.68112.6I68 D91 D141 S172 L173 L177 R178I68-R175 HydrophobicContact CD1-CB 3.83Å; I68-R175 HydrophobicContact CD1-CG 4.4Å; D91-R175 IonicContact OD1-CZ 3.77Å; D91-R175 IonicContact OD1-NE 3.77Å; D91-R175 PolarHBondContact OD1-NE 3.36Å; D91-R175 IonicContact OD2-CZ 2.75Å; D91-R175 IonicContact OD2-NE 3.8Å; D91-R175 PolarHBondContact OD2-NE 3.47Å; D91-R175 VanDerWaalsContact OD2-NE 3.16Å; D91-R175 IonicContact OD2-NH2 2.81Å; D91-R175 PolarHBondContact OD2-NH2 2.9Å; D141-R175 IonicContact OD1-CZ 3.75Å; D141-R175 IonicContact OD1-NH1 3.64Å; D141-R175 IonicContact OD1-NH2 3.46Å; D141-R175 PolarHBondContact OD1-NH2 3.23Å; D141-R175 IonicContact OD2-CZ 3.59Å; D141-R175 IonicContact OD2-NH1 3.27Å; D141-R175 PolarHBondContact OD2-NH1 3.39Å; D141-R175 IonicContact OD2-NH2 3.99Å; D141-R175 PolarHBondContact OD2-NH2 3.4Å; S172-R175 WeakPolarHBondContact O-CB 3.37Å; S172-R175 WeakPolarHBondContact O-CG 3.39Å; S172-R175 PolarHBondContact O-N 2.95Å; L173-R175 PolarHBondContact O-N 3.06Å; L173-R175 VanDerWaalsContact O-N 3.16Å; R175-L177 PolarHBondContact O-N 3.33Å; R175-R178 VanDerWaalsContact O-CB 3.27Å; R175-R178 WeakPolarHBondContact O-CB 3.37Å; R175-R178 WeakPolarHBondContact O-CD 3.35Å; R175-R178 WeakPolarHBondContact O-CG 3.42Å; R175-R178 PolarHBondContact O-N 2.93Å
176L84.5Confident82.2Confident32 Ų3236.6 Ų36.617%0.16818%0.18CC..G310 helixtrans-69.5-17.2176.7-57.7-175.5000113.4L65 I68 P69 L173 L174 R178 L179 W219L65-L176 HydrophobicContact CD2-CD2 4.11Å; I68-L176 HydrophobicContact CG2-CD2 4.49Å; P69-L176 HydrophobicContact CG-CD2 3.99Å; L173-L176 HydrophobicContact CD2-CD1 3.95Å; L173-L176 VanDerWaalsContact O-CB 3.3Å; L173-L176 WeakPolarHBondContact O-CB 3.2Å; L173-L176 WeakPolarHBondContact O-CG 3.4Å; L173-L176 PolarHBondContact O-N 2.89Å; L174-L176 PolarHBondContact O-N 3.46Å; L176-R178 PolarHBondContact O-N 3.48Å; L176-L179 WeakPolarHBondContact O-CB 3.44Å; L176-L179 PolarHBondContact O-N 3.45Å; L176-W219 HydrophobicContact CB-CH2 3.99Å; L176-W219 HydrophobicContact CB-CZ2 4.31Å; L176-W219 HydrophobicContact CD2-CH2 4.41Å; L176-W219 HydrophobicContact CD2-CZ2 3.87Å; L176-W219 HydrophobicContact CG-CZ2 4.45Å
177L87.1Confident82.7Confident75 Ų7538.2 Ų38.239%0.39319%0.19SC..G310 helixtrans-60.9-14.2171.5-63.6175000113.1V132 V135 L174 R175 L179 S180V132-L177 HydrophobicContact CG1-CB 4.13Å; V135-L177 HydrophobicContact CG1-CD1 4.1Å; L174-L177 HydrophobicContact CD2-CD1 4.3Å; L174-L177 VanDerWaalsContact O-CB 3.31Å; L174-L177 WeakPolarHBondContact O-CB 3.46Å; L174-L177 WeakPolarHBondContact O-CG 3.36Å; L174-L177 PolarHBondContact O-N 3.5Å; L174-L177 VanDerWaalsContact O-N 3.16Å; R175-L177 PolarHBondContact O-N 3.33Å; L177-L179 PolarHBondContact O-N 2.98Å; L177-S180 WeakPolarHBondContact O-CB 3.5Å; L177-S180 PolarHBondContact O-N 2.96Å; L177-S180 VanDerWaalsContact O-N 3.08Å; L177-S180 PolarHBondContact O-OG 3.49Å
178R84.9Confident82.8Confident0 Ų036.1 Ų36.10%018%0.181CC..G310 helixtrans-55.2-24.7167.2-68166.9-166.8-175.3-0.2112.7M61 N64 L65 S90 D91 F94 S136 R175 L176 S180 R181 L182M61-R178 HydrophobicContact CG-CB 4.39Å; M61-R178 HydrophobicContact SD-CB 4.12Å; N64-R178 PolarHBondContact OD1-NH1 3.04Å; L65-R178 HydrophobicContact CD2-CB 4.12Å; S90-R178 PolarHBondContact OG-NH1 3.48Å; D91-R178 IonicContact OD1-CZ 3.64Å; D91-R178 IonicContact OD1-NH1 3.3Å; D91-R178 IonicContact OD1-NH2 3.45Å; D91-R178 PolarHBondContact OD1-NH2 3.01Å; F94-R178 HydrophobicContact CD1-CG 4.21Å; F94-R178 HydrophobicContact CE1-CG 4.04Å; F94-R178 VanDerWaalsContact CE2-NH1 3.27Å; F94-R178 HydrophobicContact CZ-CG 4.44Å; S136-R178 VanDerWaalsContact O-CZ 3.29Å; S136-R178 PolarHBondContact O-NE 3.18Å; S136-R178 PolarHBondContact O-NH2 3.17Å; R175-R178 VanDerWaalsContact O-CB 3.27Å; R175-R178 WeakPolarHBondContact O-CB 3.37Å; R175-R178 WeakPolarHBondContact O-CD 3.35Å; R175-R178 WeakPolarHBondContact O-CG 3.42Å; R175-R178 PolarHBondContact O-N 2.93Å; L176-R178 PolarHBondContact O-N 3.48Å; R178-S180 PolarHBondContact O-N 3.26Å; R178-S180 VanDerWaalsContact O-N 3.15Å; R178-R181 WeakPolarHBondContact O-CA 3.4Å; R178-R181 VanDerWaalsContact O-CB 3.31Å; R178-R181 WeakPolarHBondContact O-CB 3.28Å; R178-R181 PolarHBondContact O-N 3.02Å; R178-L182 PolarHBondContact O-N 3.32Å
179L84.2Confident82.9Confident32 Ų3236.5 Ų36.517%0.16818%0.182CC..Hα-helixtrans-53.1-34.4172.4177.163000112.8L65 L176 L177 R181 L182 I183 M212 L215 W219L65-L179 HydrophobicContact CD1-CB 4.29Å; L65-L179 HydrophobicContact CD1-CD1 4.36Å; L176-L179 WeakPolarHBondContact O-CB 3.44Å; L176-L179 PolarHBondContact O-N 3.45Å; L177-L179 PolarHBondContact O-N 2.98Å; L179-R181 PolarHBondContact O-N 2.98Å; L179-L182 HydrophobicContact CD1-CB 4.39Å; L179-L182 HydrophobicContact CD1-CD2 4.02Å; L179-L182 WeakPolarHBondContact O-CB 3.22Å; L179-L182 PolarHBondContact O-N 3.37Å; L179-I183 HydrophobicContact CD1-CD1 4.19Å; L179-I183 HydrophobicContact CD1-CG1 4.19Å; L179-I183 HydrophobicContact CG-CD1 4Å; L179-I183 HydrophobicContact CG-CG1 4.46Å; L179-I183 WeakPolarHBondContact O-CG1 3.35Å; L179-I183 PolarHBondContact O-N 2.95Å; L179-M212 HydrophobicContact CD1-CE 4.02Å; L179-M212 HydrophobicContact CD1-SD 4.12Å; L179-L215 HydrophobicContact CD1-CD2 4.21Å; L179-W219 HydrophobicContact CB-CH2 3.9Å; L179-W219 HydrophobicContact CD2-CH2 3.69Å; L179-W219 HydrophobicContact CD2-CZ3 3.7Å; L179-W219 HydrophobicContact CG-CH2 4.29Å
180S85.5Confident83Confident27 Ų2737.6 Ų37.619%0.18919%0.187CC..Hα-helixtrans-60-34.2174.569.20000112.4V132 L177 R178 R184V132-S180 WeakPolarHBondContact CG1-OG 3.38Å; L177-S180 WeakPolarHBondContact O-CB 3.5Å; L177-S180 PolarHBondContact O-N 2.96Å; L177-S180 VanDerWaalsContact O-N 3.08Å; L177-S180 PolarHBondContact O-OG 3.49Å; R178-S180 PolarHBondContact O-N 3.26Å; R178-S180 VanDerWaalsContact O-N 3.15Å; S180-R184 WeakPolarHBondContact O-CG 3.37Å; S180-R184 PolarHBondContact O-N 3.37Å; S180-R184 PolarHBondContact O-NH1 2.97Å; S180-R184 PolarHBondContact OG-NH1 3.48Å
181R85Confident82.8Confident0 Ų039.1 Ų39.10%019%0.192CC..Hα-helixtrans-78-37.6177.2-159.4179.3-52.6174.518.6110.9M61 F94 D97 D133 S136 S137 R178 L179 R184 Y185M61-R181 HydrophobicContact CE-CB 4.48Å; M61-R181 HydrophobicContact SD-CB 4.04Å; F94-R181 PolarHBondContact O-NH1 2.87Å; D97-R181 WeakPolarHBondContact OD2-CD 3.49Å; D97-R181 IonicContact OD2-CZ 2.92Å; D97-R181 IonicContact OD2-NE 2.67Å; D97-R181 IonicContact OD2-NH1 3.2Å; D97-R181 PolarHBondContact OD2-NH1 3.25Å; D133-R181 PolarHBondContact O-NH2 2.93Å; D133-R181 IonicContact OD1-CZ 3.54Å; D133-R181 IonicContact OD1-NE 2.69Å; D133-R181 PolarHBondContact OD1-NE 3.38Å; D133-R181 IonicContact OD1-NH2 2.68Å; D133-R181 PolarHBondContact OD1-NH2 3.45Å; S136-R181 PolarHBondContact OG-NH2 3.16Å; S137-R181 PolarHBondContact OG-NH2 3.35Å; S137-R181 VanDerWaalsContact OG-NH2 3.09Å; R178-R181 WeakPolarHBondContact O-CA 3.4Å; R178-R181 VanDerWaalsContact O-CB 3.31Å; R178-R181 WeakPolarHBondContact O-CB 3.28Å; R178-R181 PolarHBondContact O-N 3.02Å; L179-R181 PolarHBondContact O-N 2.98Å; R181-R184 PolarHBondContact O-N 3.36Å; R181-Y185 WeakPolarHBondContact CD-OH 3.48Å; R181-Y185 HydrophobicContact CG-CD2 4.41Å; R181-Y185 HydrophobicContact CG-CE1 4.17Å; R181-Y185 HydrophobicContact CG-CE2 3.79Å; R181-Y185 PolarHBondContact O-N 2.98Å
182L84.4Confident82.5Confident8 Ų839.1 Ų39.14%0.04219%0.192CC..Hα-helixtrans-57.5-49.1172.7-178.961.5000111.9L58 M61 V62 L65 R178 L179 R184 Y185 I186 L215L58-L182 HydrophobicContact CD1-CD1 3.29Å; M61-L182 HydrophobicContact CE-CB 3.78Å; M61-L182 HydrophobicContact CE-CD1 3.97Å; M61-L182 HydrophobicContact CG-CB 4.21Å; M61-L182 HydrophobicContact SD-CB 3.76Å; M61-L182 PolarHBondContact SD-N 3.06Å; M61-L182 VanDerWaalsContact SD-N 3.44Å; V62-L182 HydrophobicContact CG2-CD1 4.27Å; L65-L182 HydrophobicContact CD1-CD2 3.74Å; R178-L182 PolarHBondContact O-N 3.32Å; L179-L182 HydrophobicContact CD1-CB 4.39Å; L179-L182 HydrophobicContact CD1-CD2 4.02Å; L179-L182 WeakPolarHBondContact O-CB 3.22Å; L179-L182 PolarHBondContact O-N 3.37Å; L182-R184 PolarHBondContact O-N 3.36Å; L182-Y185 PolarHBondContact O-N 2.81Å; L182-I186 HydrophobicContact CD1-CD1 3.73Å; L182-I186 HydrophobicContact CD1-CG1 4.06Å; L182-I186 HydrophobicContact CD2-CD1 4.44Å; L182-I186 HydrophobicContact CG-CD1 3.75Å; L182-I186 HydrophobicContact CG-CG1 4.41Å; L182-I186 WeakPolarHBondContact O-CG1 3.2Å; L182-I186 PolarHBondContact O-N 2.93Å; L182-L215 HydrophobicContact CD2-CD2 4.33Å
183I85.6Confident82.3Confident65 Ų6542.4 Ų42.433%0.33321%0.206SC..Hα-helixtrans-62.2-45179.5-66165.2000110.9L179 Y185 I186 H187 M212L179-I183 HydrophobicContact CD1-CD1 4.19Å; L179-I183 HydrophobicContact CD1-CG1 4.19Å; L179-I183 HydrophobicContact CG-CD1 4Å; L179-I183 HydrophobicContact CG-CG1 4.46Å; L179-I183 WeakPolarHBondContact O-CG1 3.35Å; L179-I183 PolarHBondContact O-N 2.95Å; I183-Y185 PolarHBondContact O-N 3.1Å; I183-I186 PolarHBondContact O-N 2.98Å; I183-H187 PolarHBondContact O-N 3.46Å; I183-M212 HydrophobicContact CD1-CE 4.39Å; I183-M212 HydrophobicContact CG1-CE 3.96Å
184R85Confident81.9Confident54 Ų5444 Ų4420%0.20421%0.212CC..Hα-helixtrans-59.1-45.2176.6-70.5-173.1-46.3-97.216.3112W129 D133 S180 R181 L182 Q188W129-R184 VanDerWaalsContact CE3-NH1 3.33Å; D133-R184 VanDerWaalsContact CG-NH2 3.28Å; D133-R184 IonicContact OD1-CZ 2.62Å; D133-R184 IonicContact OD1-NH2 3.1Å; D133-R184 PolarHBondContact OD1-NH2 3.34Å; D133-R184 IonicContact OD2-NH2 3.55Å; D133-R184 PolarHBondContact OD2-NH2 3.19Å; S180-R184 WeakPolarHBondContact O-CG 3.37Å; S180-R184 PolarHBondContact O-N 3.37Å; S180-R184 PolarHBondContact O-NH1 2.97Å; S180-R184 PolarHBondContact OG-NH1 3.48Å; R181-R184 PolarHBondContact O-N 3.36Å; L182-R184 PolarHBondContact O-N 3.36Å; R184-Q188 WeakPolarHBondContact O-CB 3.46Å; R184-Q188 PolarHBondContact O-N 3Å
185Y82.8Confident80.9Confident8 Ų845.1 Ų45.13%0.03122%0.216CC..Hα-helixtrans-64.9-50.1176.4-66.5-15.9000111R50 M57 M61 D97 R181 L182 I183 H187 Q188 W189R50-Y185 PolarHBondContact NH2-OH 3.45Å; R50-Y185 VanDerWaalsContact NH2-OH 3.15Å; M57-Y185 HydrophobicContact CB-CE2 4.06Å; M61-Y185 HydrophobicContact CE-CD2 3.58Å; M61-Y185 HydrophobicContact CE-CE2 3.94Å; D97-Y185 PolarHBondContact OD1-OH 2.92Å; D97-Y185 VanDerWaalsContact OD1-OH 3.12Å; D97-Y185 PolarHBondContact OD2-OH 3.43Å; D97-Y185 VanDerWaalsContact OD2-OH 3.1Å; R181-Y185 WeakPolarHBondContact CD-OH 3.48Å; R181-Y185 HydrophobicContact CG-CD2 4.41Å; R181-Y185 HydrophobicContact CG-CE1 4.17Å; R181-Y185 HydrophobicContact CG-CE2 3.79Å; R181-Y185 PolarHBondContact O-N 2.98Å; L182-Y185 PolarHBondContact O-N 2.81Å; I183-Y185 PolarHBondContact O-N 3.1Å; Y185-H187 VanDerWaalsContact C-N 3.28Å; Y185-H187 PolarHBondContact O-N 3.41Å; Y185-Q188 PolarHBondContact O-N 3.38Å; Y185-Q188 VanDerWaalsContact O-N 3.12Å; Y185-W189 WeakPolarHBondContact O-CB 3.44Å; Y185-W189 PolarHBondContact O-N 3.15Å
186I82.5Confident80.2Confident40 Ų4045.9 Ų45.921%0.20522%0.222CC..Hα-helixtrans-56.6-42.3-179.4-66.8170.4000111.5L58 L182 I183 W189 E190 N208L58-I186 HydrophobicContact CD1-CG1 4.42Å; L182-I186 HydrophobicContact CD1-CD1 3.73Å; L182-I186 HydrophobicContact CD1-CG1 4.06Å; L182-I186 HydrophobicContact CD2-CD1 4.44Å; L182-I186 HydrophobicContact CG-CD1 3.75Å; L182-I186 HydrophobicContact CG-CG1 4.41Å; L182-I186 WeakPolarHBondContact O-CG1 3.2Å; L182-I186 PolarHBondContact O-N 2.93Å; I183-I186 PolarHBondContact O-N 2.98Å; I186-W189 PolarHBondContact O-N 2.81Å; I186-E190 VanDerWaalsContact O-CB 3.25Å; I186-E190 WeakPolarHBondContact O-CB 3.34Å; I186-E190 PolarHBondContact O-N 3.36Å; I186-N208 HydrophobicContact CG2-CB 4.47Å; I186-N208 VanDerWaalsContact CG2-ND2 3.27Å; I186-N208 WeakPolarHBondContact CG2-ND2 3.28Å
187H83.1Confident79.5Confident98 Ų9850.9 Ų50.945%0.45424%0.24SC..Hα-helixtrans-64.6-46.6175.2-72.6-30.8000113.2I183 Y185 W189 E190 E191I183-H187 PolarHBondContact O-N 3.46Å; Y185-H187 VanDerWaalsContact C-N 3.28Å; Y185-H187 PolarHBondContact O-N 3.41Å; H187-W189 VanDerWaalsContact C-N 3.26Å; H187-W189 PolarHBondContact O-N 3.46Å; H187-E190 IonicContact ND1-OE2 2.65Å; H187-E190 WeakPolarHBondContact O-CB 3.5Å; H187-E190 PolarHBondContact O-N 3.49Å; H187-E190 VanDerWaalsContact O-N 3.14Å; H187-E191 WeakPolarHBondContact O-CG 3.45Å; H187-E191 PolarHBondContact O-N 2.85Å
188Q79.1Confident78.4Confident55 Ų5552.3 Ų52.326%0.25725%0.247SC..Hα-helixtrans-59.5-38.4176.2-175.4-175.7-22.700111.8R184 Y185 I192R184-Q188 WeakPolarHBondContact O-CB 3.46Å; R184-Q188 PolarHBondContact O-N 3Å; Y185-Q188 PolarHBondContact O-N 3.38Å; Y185-Q188 VanDerWaalsContact O-N 3.12Å; Q188-I192 HydrophobicContact CG-CD1 4.22Å; Q188-I192 WeakPolarHBondContact O-CD1 3.42Å; Q188-I192 VanDerWaalsContact O-CG1 3.22Å; Q188-I192 WeakPolarHBondContact O-CG1 3.49Å; Q188-I192 PolarHBondContact O-N 3.43Å; Q188-I192 VanDerWaalsContact O-N 3.16Å
189W77.4Confident77.1Confident21 Ų2160.1 Ų60.18%0.0829%0.288CS..Hα-helixtrans-71.1-39.1175-81.485.2000112.1F51 D54 F55 Y185 I186 H187 I192 F193F51-W189 HydrophobicContact CD1-CH2 4.23Å; F51-W189 AromaticContact CD2-CH2 3.54Å; F51-W189 HydrophobicContact CD2-CH2 3.54Å; F51-W189 HydrophobicContact CD2-CZ2 4.11Å; F51-W189 AromaticContact CD2-CZ3 3.92Å; F51-W189 HydrophobicContact CD2-CZ3 3.92Å; F51-W189 AromaticContact CE1-CH2 3.93Å; F51-W189 HydrophobicContact CE1-CH2 3.93Å; F51-W189 HydrophobicContact CE1-CZ3 4.46Å; F51-W189 HydrophobicContact CE2-CE3 4.18Å; F51-W189 AromaticContact CE2-CH2 3.21Å; F51-W189 HydrophobicContact CE2-CH2 3.21Å; F51-W189 HydrophobicContact CE2-CZ2 4.19Å; F51-W189 AromaticContact CE2-CZ3 3.2Å; F51-W189 HydrophobicContact CE2-CZ3 3.2Å; F51-W189 HydrophobicContact CG-CH2 4.06Å; F51-W189 AromaticContact CZ-CH2 3.42Å; F51-W189 HydrophobicContact CZ-CH2 3.42Å; F51-W189 VanDerWaalsContact CZ-CH2 3.42Å; F51-W189 AromaticContact CZ-CZ3 3.53Å; F51-W189 HydrophobicContact CZ-CZ3 3.53Å; F51-W189 WeakPolarHBondContact O-CZ2 3.35Å; D54-W189 HydrophobicContact CB-CZ2 4.31Å; F55-W189 HydrophobicContact CB-CH2 3.93Å; F55-W189 HydrophobicContact CB-CZ2 3.81Å; F55-W189 HydrophobicContact CD2-CH2 4.12Å; F55-W189 HydrophobicContact CG-CH2 4.48Å; Y185-W189 WeakPolarHBondContact O-CB 3.44Å; Y185-W189 PolarHBondContact O-N 3.15Å; I186-W189 PolarHBondContact O-N 2.81Å; H187-W189 VanDerWaalsContact C-N 3.26Å; H187-W189 PolarHBondContact O-N 3.46Å; W189-I192 PolarHBondContact O-N 3.31Å; W189-F193 HydrophobicContact CB-CD2 4.5Å; W189-F193 HydrophobicContact CE3-CD2 4.32Å; W189-F193 AromaticContact CE3-CE2 3.55Å; W189-F193 HydrophobicContact CE3-CE2 3.55Å; W189-F193 HydrophobicContact CE3-CZ 4Å; W189-F193 HydrophobicContact CZ3-CE2 4.16Å; W189-F193 HydrophobicContact CZ3-CZ 4.15Å; W189-F193 WeakPolarHBondContact O-CB 3.4Å; W189-F193 WeakPolarHBondContact O-CD2 3.15Å; W189-F193 PolarHBondContact O-N 2.87Å
190E78.1Confident76.1Confident42 Ų4260.3 Ų60.320%0.19629%0.294CS..Hα-helixtrans-61.1-42.4175.2-174.7171.9-173.900111.3I186 H187 F193 H194I186-E190 VanDerWaalsContact O-CB 3.25Å; I186-E190 WeakPolarHBondContact O-CB 3.34Å; I186-E190 PolarHBondContact O-N 3.36Å; H187-E190 IonicContact ND1-OE2 2.65Å; H187-E190 WeakPolarHBondContact O-CB 3.5Å; H187-E190 PolarHBondContact O-N 3.49Å; H187-E190 VanDerWaalsContact O-N 3.14Å; E190-F193 PolarHBondContact O-N 3.13Å; E190-H194 VanDerWaalsContact O-CB 3.3Å; E190-H194 WeakPolarHBondContact O-CB 3.47Å; E190-H194 PolarHBondContact O-N 3.35Å
191E78.1Confident75.5Confident119 Ų11960.4 Ų60.456%0.55630%0.295SS*.Hα-helixtrans-61.4-48172.5-71.9171.9-172.400112.2H187 F193 H194 M195H187-E191 WeakPolarHBondContact O-CG 3.45Å; H187-E191 PolarHBondContact O-N 2.85Å; E191-F193 PolarHBondContact O-N 2.88Å; E191-H194 PolarHBondContact O-N 3.14Å; E191-M195 WeakPolarHBondContact O-CG 3.38Å; E191-M195 PolarHBondContact O-N 3.04Å
192I74.6Confident75Confident29 Ų2961.7 Ų61.715%0.14931%0.306CS..Hα-helixtrans-62.8-41.9178.5-68.7164.1000111.2F17 Q188 W189 M195 T196F17-I192 HydrophobicContact CD2-CG2 4Å; F17-I192 HydrophobicContact CE2-CB 4.2Å; F17-I192 HydrophobicContact CE2-CG1 3.9Å; F17-I192 HydrophobicContact CE2-CG2 4.06Å; F17-I192 HydrophobicContact CZ-CG1 4Å; Q188-I192 HydrophobicContact CG-CD1 4.22Å; Q188-I192 WeakPolarHBondContact O-CD1 3.42Å; Q188-I192 VanDerWaalsContact O-CG1 3.22Å; Q188-I192 WeakPolarHBondContact O-CG1 3.49Å; Q188-I192 PolarHBondContact O-N 3.43Å; Q188-I192 VanDerWaalsContact O-N 3.16Å; W189-I192 PolarHBondContact O-N 3.31Å; I192-M195 PolarHBondContact O-N 2.94Å; I192-T196 PolarHBondContact O-N 3.1Å; I192-T196 PolarHBondContact O-OG1 3.47Å
193F73.3Confident74.9Confident74 Ų7463.9 Ų63.933%0.32532%0.319SS..Hα-helixtrans-68.5-41176.3-80.7-58.9000112.1W189 E190 E191 M195 T196 Y197 M204W189-F193 HydrophobicContact CB-CD2 4.5Å; W189-F193 HydrophobicContact CE3-CD2 4.32Å; W189-F193 AromaticContact CE3-CE2 3.55Å; W189-F193 HydrophobicContact CE3-CE2 3.55Å; W189-F193 HydrophobicContact CE3-CZ 4Å; W189-F193 HydrophobicContact CZ3-CE2 4.16Å; W189-F193 HydrophobicContact CZ3-CZ 4.15Å; W189-F193 WeakPolarHBondContact O-CB 3.4Å; W189-F193 WeakPolarHBondContact O-CD2 3.15Å; W189-F193 PolarHBondContact O-N 2.87Å; E190-F193 PolarHBondContact O-N 3.13Å; E191-F193 PolarHBondContact O-N 2.88Å; F193-M195 VanDerWaalsContact C-N 3.28Å; F193-M195 PolarHBondContact O-N 2.9Å; F193-T196 CarbonylContact O-C 3.49Å; F193-T196 PolarHBondContact O-N 2.96Å; F193-Y197 AromaticContact CD1-CD2 3.88Å; F193-Y197 HydrophobicContact CD1-CD2 3.88Å; F193-Y197 AromaticContact CD1-CE2 3.91Å; F193-Y197 HydrophobicContact CD1-CE2 3.91Å; F193-Y197 HydrophobicContact CE1-CE2 4.26Å; F193-Y197 PolarHBondContact O-N 3.47Å; F193-M204 HydrophobicContact CD2-CE 4.45Å
194H73.1Confident74.7Confident80 Ų8064.6 Ų64.637%0.3732%0.323SS..Hα-helixtrans-58.4-41.7173.1-173.3-47.6000111E190 E191 T196E190-H194 VanDerWaalsContact O-CB 3.3Å; E190-H194 WeakPolarHBondContact O-CB 3.47Å; E190-H194 PolarHBondContact O-N 3.35Å; E191-H194 PolarHBondContact O-N 3.14Å; H194-T196 PolarHBondContact O-N 3.45Å
195M66.5Low74.7Confident81 Ų8166.6 Ų66.640%0.39933%0.33SS..THydrogen-bonded Turntrans-71.6-3.3175.6-67.2-61.6168.300114F17 R20 E191 I192 F193F17-M195 HydrophobicContact CD2-CB 4.29Å; F17-M195 HydrophobicContact CE2-CB 4.13Å; R20-M195 WeakPolarHBondContact CD-O 3.22Å; R20-M195 VanDerWaalsContact NH1-C 3.29Å; R20-M195 PolarHBondContact NH1-O 3.28Å; E191-M195 WeakPolarHBondContact O-CG 3.38Å; E191-M195 PolarHBondContact O-N 3.04Å; I192-M195 PolarHBondContact O-N 2.94Å; F193-M195 VanDerWaalsContact C-N 3.28Å; F193-M195 PolarHBondContact O-N 2.9Å
196T68.6Low74.9Confident23 Ų2367.3 Ų67.314%0.14133%0.334CS..THydrogen-bonded Turntrans-118-30.3-178.8-49.60000113.4K16 I192 F193 H194K16-T196 PolarHBondContact NZ-O 2.87Å; I192-T196 PolarHBondContact O-N 3.1Å; I192-T196 PolarHBondContact O-OG1 3.47Å; F193-T196 CarbonylContact O-C 3.49Å; F193-T196 PolarHBondContact O-N 2.96Å; H194-T196 PolarHBondContact O-N 3.45Å
197Y69.9Low75.1Confident138 Ų13871.7 Ų71.754%0.54135%0.352SS..  trans-144.284.2-171.2-53.1-85.2000112.4F193 L199 A200F193-Y197 AromaticContact CD1-CD2 3.88Å; F193-Y197 HydrophobicContact CD1-CD2 3.88Å; F193-Y197 AromaticContact CD1-CE2 3.91Å; F193-Y197 HydrophobicContact CD1-CE2 3.91Å; F193-Y197 HydrophobicContact CE1-CE2 4.26Å; F193-Y197 PolarHBondContact O-N 3.47Å; Y197-L199 VanDerWaalsContact C-N 3.34Å; Y197-L199 PolarHBondContact O-N 2.94Å; Y197-A200 PolarHBondContact O-N 2.99Å; Y197-A200 VanDerWaalsContact O-N 3.07Å
198D64.3Low75.3Confident104 Ų10469 Ų6956%0.55634%0.341SS*.G310 helixtrans-59.8-37-171-54.7-68000114R20 A200R20-D198 IonicContact NH1-OD1 2.99Å; R20-D198 IonicContact NH2-OD1 3.16Å; D198-A200 PolarHBondContact O-N 3.45Å
199L57.6Low75.8Confident164 Ų16467.8 Ų67.886%0.85934%0.336SS*.G310 helixtrans-70.1-17180-171.160000113.7Y197Y197-L199 VanDerWaalsContact C-N 3.34Å; Y197-L199 PolarHBondContact O-N 2.94Å
200A64.2Low76.6Confident36 Ų3669.4 Ų69.430%0.29835%0.346SS..G310 helixtrans-87.5-19.1-172.900000114.1Y197 D198 A202 V203 M204Y197-A200 PolarHBondContact O-N 2.99Å; Y197-A200 VanDerWaalsContact O-N 3.07Å; D198-A200 PolarHBondContact O-N 3.45Å; A200-A202 PolarHBondContact O-N 2.88Å; A200-V203 PolarHBondContact O-N 3.48Å; A200-V203 VanDerWaalsContact O-N 3.17Å; A200-M204 HydrophobicContact CB-CG 4.38Å; A200-M204 WeakPolarHBondContact O-CB 3.44Å; A200-M204 WeakPolarHBondContact O-CG 3.42Å; A200-M204 PolarHBondContact O-N 2.94Å
201S72.8Confident77.3Confident30 Ų3069.3 Ų69.321%0.2136%0.356CS..Hα-helixtrans-58.8-50.3-169.5173.60000113.5V203 M204 R205S201-V203 PolarHBondContact O-N 3.37Å; S201-M204 PolarHBondContact O-N 2.87Å; S201-R205 WeakPolarHBondContact O-CB 3.23Å; S201-R205 PolarHBondContact O-N 2.96Å
202A74.3Confident77.9Confident27 Ų2765.7 Ų65.722%0.22334%0.339CS..Hα-helixtrans-62.6-32.6-179.800000112.8A200 I206 L304A200-A202 PolarHBondContact O-N 2.88Å; A202-I206 PolarHBondContact O-N 2.88Å; A202-L304 HydrophobicContact CB-CD1 3.74Å
203V82.2Confident78.8Confident53 Ų5365.6 Ų65.632%0.32134%0.339SS..Hα-helixtrans-75.5-43.3177.5176.10000111.1A200 S201 R205 I206 F207 L304A200-V203 PolarHBondContact O-N 3.48Å; A200-V203 VanDerWaalsContact O-N 3.17Å; S201-V203 PolarHBondContact O-N 3.37Å; V203-R205 VanDerWaalsContact C-N 3.3Å; V203-R205 PolarHBondContact O-N 3.36Å; V203-I206 WeakPolarHBondContact O-CG2 3.4Å; V203-I206 PolarHBondContact O-N 3.45Å; V203-F207 HydrophobicContact CG1-CD2 3.8Å; V203-F207 HydrophobicContact CG1-CE2 3.55Å; V203-F207 VanDerWaalsContact O-CD2 3.24Å; V203-F207 WeakPolarHBondContact O-CD2 3.45Å; V203-F207 PolarHBondContact O-N 2.88Å; V203-F207 VanDerWaalsContact O-N 3.15Å; V203-L304 HydrophobicContact CG2-CD1 4.07Å
204M82.3Confident79.9Confident81 Ų8166.9 Ų66.940%0.39935%0.349SS..Hα-helixtrans-60.7-40.2175-74.1-61.1-65.100111.8F193 A200 S201 I206 F207 N208F193-M204 HydrophobicContact CD2-CE 4.45Å; A200-M204 HydrophobicContact CB-CG 4.38Å; A200-M204 WeakPolarHBondContact O-CB 3.44Å; A200-M204 WeakPolarHBondContact O-CG 3.42Å; A200-M204 PolarHBondContact O-N 2.94Å; S201-M204 PolarHBondContact O-N 2.87Å; M204-I206 PolarHBondContact O-N 3.32Å; M204-F207 PolarHBondContact O-N 3.41Å; M204-N208 WeakPolarHBondContact O-CB 3.22Å; M204-N208 PolarHBondContact O-N 3.38Å
205R83.1Confident80.9Confident95 Ų9564.1 Ų64.136%0.35834%0.336SS..Hα-helixtrans-62.4-38.9178.4-168.9173.664.7168.8-0.5113.1S201 V203 L209 H300S201-R205 WeakPolarHBondContact O-CB 3.23Å; S201-R205 PolarHBondContact O-N 2.96Å; V203-R205 VanDerWaalsContact C-N 3.3Å; V203-R205 PolarHBondContact O-N 3.36Å; R205-L209 WeakPolarHBondContact O-CB 3.47Å; R205-L209 PolarHBondContact O-N 2.72Å; R205-L209 VanDerWaalsContact O-N 3.11Å; R205-H300 PolarHBondContact NE-ND1 2.9Å
206I87.3Confident82.3Confident23 Ų2362.5 Ų62.512%0.11833%0.329CS..Hα-helixtrans-72.6-36.2175.5-168.4166000111.9A202 V203 M204 L209 I210 F297 A301 L304A202-I206 PolarHBondContact O-N 2.88Å; V203-I206 WeakPolarHBondContact O-CG2 3.4Å; V203-I206 PolarHBondContact O-N 3.45Å; M204-I206 PolarHBondContact O-N 3.32Å; I206-L209 PolarHBondContact O-N 3.06Å; I206-I210 HydrophobicContact CG1-CD1 4.05Å; I206-I210 HydrophobicContact CG1-CG1 4.46Å; I206-I210 VanDerWaalsContact O-CG1 3.28Å; I206-I210 WeakPolarHBondContact O-CG1 3.28Å; I206-I210 PolarHBondContact O-N 3.4Å; I206-F297 HydrophobicContact CD1-CE2 4.2Å; I206-F297 HydrophobicContact CG1-CE2 4.34Å; I206-A301 HydrophobicContact CD1-CB 4.17Å; I206-L304 HydrophobicContact CD1-CD2 4.13Å; I206-L304 HydrophobicContact CG2-CD2 3.83Å
207F87.9Confident83.7Confident133 Ų13361.7 Ų61.758%0.58332%0.324SS*.Hα-helixtrans-64.4-42173.4-80.7-62.2000112.6V203 M204 I210 G211V203-F207 HydrophobicContact CG1-CD2 3.8Å; V203-F207 HydrophobicContact CG1-CE2 3.55Å; V203-F207 VanDerWaalsContact O-CD2 3.24Å; V203-F207 WeakPolarHBondContact O-CD2 3.45Å; V203-F207 PolarHBondContact O-N 2.88Å; V203-F207 VanDerWaalsContact O-N 3.15Å; M204-F207 PolarHBondContact O-N 3.41Å; F207-I210 PolarHBondContact O-N 3.05Å; F207-G211 PolarHBondContact O-N 3Å
208N87.3Confident85Confident42 Ų4255.6 Ų55.623%0.22530%0.301CS..Hα-helixtrans-57.1-49.4173.2179.813.6000111.1I186 M204 I210 G211 M212I186-N208 HydrophobicContact CG2-CB 4.47Å; I186-N208 VanDerWaalsContact CG2-ND2 3.27Å; I186-N208 WeakPolarHBondContact CG2-ND2 3.28Å; M204-N208 WeakPolarHBondContact O-CB 3.22Å; M204-N208 PolarHBondContact O-N 3.38Å; N208-I210 PolarHBondContact O-N 3.35Å; N208-G211 PolarHBondContact O-N 3.37Å; N208-M212 PolarHBondContact O-N 3.2Å
209L89.6Confident86.6Confident28 Ų2852.9 Ų52.915%0.14728%0.283CS..Hα-helixtrans-61.9-42.2178.3-17860.8000113.1R205 I206 M212 M213 F297 H300R205-L209 WeakPolarHBondContact O-CB 3.47Å; R205-L209 PolarHBondContact O-N 2.72Å; R205-L209 VanDerWaalsContact O-N 3.11Å; I206-L209 PolarHBondContact O-N 3.06Å; L209-M212 PolarHBondContact O-N 3.47Å; L209-M213 WeakPolarHBondContact O-CB 3.39Å; L209-M213 PolarHBondContact O-N 3.16Å; L209-F297 HydrophobicContact CD2-CB 4.33Å; L209-H300 HydrophobicContact CD2-CB 3.67Å; L209-H300 VanDerWaalsContact CD2-CD2 3.44Å; L209-H300 WeakPolarHBondContact CD2-CD2 3.13Å
210I92.9Very high88.4Confident56 Ų5646 Ų4629%0.28725%0.247SC..Hα-helixtrans-61.6-45174.3-69.8164.4000110.3I206 F207 N208 M212 M213 L214 F297I206-I210 HydrophobicContact CG1-CD1 4.05Å; I206-I210 HydrophobicContact CG1-CG1 4.46Å; I206-I210 VanDerWaalsContact O-CG1 3.28Å; I206-I210 WeakPolarHBondContact O-CG1 3.28Å; I206-I210 PolarHBondContact O-N 3.4Å; F207-I210 PolarHBondContact O-N 3.05Å; N208-I210 PolarHBondContact O-N 3.35Å; I210-M212 PolarHBondContact O-N 3.47Å; I210-M213 PolarHBondContact O-N 3.31Å; I210-L214 HydrophobicContact CG2-CD1 4.02Å; I210-L214 HydrophobicContact CG2-CG 4.42Å; I210-L214 WeakPolarHBondContact O-CG 3.33Å; I210-L214 PolarHBondContact O-N 2.93Å; I210-F297 HydrophobicContact CD1-CE2 4.21Å; I210-F297 HydrophobicContact CG1-CD2 4.31Å; I210-F297 HydrophobicContact CG1-CE2 3.95Å
211G92.4Very high90Very high40 Ų4044.2 Ų44.241%0.41223%0.232SC..Hα-helixtrans-59.2-44.6176.300000112.9F207 N208 L214 L215F207-G211 PolarHBondContact O-N 3Å; N208-G211 PolarHBondContact O-N 3.37Å; G211-L214 PolarHBondContact O-N 3.43Å; G211-L215 WeakPolarHBondContact O-CB 3.36Å; G211-L215 PolarHBondContact O-N 3.02Å
212M90.8Very high91.1Very high42 Ų4243 Ų4321%0.20722%0.224CC..Hα-helixtrans-64.3-42.9175.5-171.163.168.300112L179 I183 N208 L209 I210 L214 L215 L216L179-M212 HydrophobicContact CD1-CE 4.02Å; L179-M212 HydrophobicContact CD1-SD 4.12Å; I183-M212 HydrophobicContact CD1-CE 4.39Å; I183-M212 HydrophobicContact CG1-CE 3.96Å; N208-M212 PolarHBondContact O-N 3.2Å; L209-M212 PolarHBondContact O-N 3.47Å; I210-M212 PolarHBondContact O-N 3.47Å; M212-L214 PolarHBondContact O-N 2.97Å; M212-L215 PolarHBondContact O-N 3.36Å; M212-L216 HydrophobicContact CG-CD1 4.17Å; M212-L216 WeakPolarHBondContact O-CG 3.21Å; M212-L216 PolarHBondContact O-N 3.42Å
213M94.6Very high92.1Very high27 Ų2744.6 Ų44.613%0.13323%0.228CC..Hα-helixtrans-63.8-40.5178.1-174173.766.900111.9L209 I210 C217 M264 C293L209-M213 WeakPolarHBondContact O-CB 3.39Å; L209-M213 PolarHBondContact O-N 3.16Å; I210-M213 PolarHBondContact O-N 3.31Å; M213-C217 VanDerWaalsContact O-CB 3.23Å; M213-C217 WeakPolarHBondContact O-CB 3.16Å; M213-C217 PolarHBondContact O-N 3.3Å; M213-M264 HydrophobicContact CG-CG 4.08Å; M213-M264 HydrophobicContact CG-SD 3.74Å; M213-M264 HydrophobicContact SD-CG 4.43Å; M213-M264 HydrophobicContact SD-SD 4.39Å; M213-C293 HydrophobicContact CG-CB 4.4Å
214L96.3Very high92.7Very high102 Ų10242 Ų4253%0.53421%0.213SC..Hα-helixtrans-64.3-41.9173.5-71.1172.1000111.8I210 G211 M212 C217 H218I210-L214 HydrophobicContact CG2-CD1 4.02Å; I210-L214 HydrophobicContact CG2-CG 4.42Å; I210-L214 WeakPolarHBondContact O-CG 3.33Å; I210-L214 PolarHBondContact O-N 2.93Å; G211-L214 PolarHBondContact O-N 3.43Å; M212-L214 PolarHBondContact O-N 2.97Å; L214-C217 PolarHBondContact O-N 3.44Å; L214-H218 VanDerWaalsContact O-CB 3.28Å; L214-H218 WeakPolarHBondContact O-CB 3.35Å; L214-H218 PolarHBondContact O-N 3.41Å
215L94.9Very high93.3Very high22 Ų2238.5 Ų38.512%0.11520%0.195CC..Hα-helixtrans-65-43177.3-174.864.2000112.1L65 I66 L179 L182 G211 M212 H218 W219L65-L215 HydrophobicContact CB-CD1 4.04Å; L65-L215 HydrophobicContact CB-CD2 4.46Å; L65-L215 HydrophobicContact CD1-CD2 4.03Å; I66-L215 HydrophobicContact CG1-CD1 4.35Å; L179-L215 HydrophobicContact CD1-CD2 4.21Å; L182-L215 HydrophobicContact CD2-CD2 4.33Å; G211-L215 WeakPolarHBondContact O-CB 3.36Å; G211-L215 PolarHBondContact O-N 3.02Å; M212-L215 PolarHBondContact O-N 3.36Å; L215-H218 WeakPolarHBondContact O-CB 3.42Å; L215-H218 PolarHBondContact O-N 2.97Å; L215-W219 HydrophobicContact CD1-CZ2 4.41Å; L215-W219 HydrophobicContact CD2-CZ2 4.22Å; L215-W219 HydrophobicContact CG-CZ2 4.31Å; L215-W219 PolarHBondContact O-N 2.72Å
216L95.5Very high93.8Very high47 Ų4734.6 Ų34.625%0.24618%0.181CC..Hα-helixtrans-66.3-40.8176.1-70.5173.6000112.1M212 H218 W219 D220 M264M212-L216 HydrophobicContact CG-CD1 4.17Å; M212-L216 WeakPolarHBondContact O-CG 3.21Å; M212-L216 PolarHBondContact O-N 3.42Å; L216-H218 VanDerWaalsContact C-N 3.32Å; L216-H218 PolarHBondContact O-N 2.99Å; L216-W219 PolarHBondContact O-N 3.13Å; L216-D220 WeakPolarHBondContact O-CB 3.36Å; L216-D220 PolarHBondContact O-N 3.13Å; L216-M264 HydrophobicContact CB-CE 4.12Å
217C97.6Very high94.1Very high5 Ų535.1 Ų35.13%0.03419%0.186CC..Hα-helixtrans-60.8-41.9173.6-175.70000111.7M213 L214 G221 A260 M261 M264M213-C217 VanDerWaalsContact O-CB 3.23Å; M213-C217 WeakPolarHBondContact O-CB 3.16Å; M213-C217 PolarHBondContact O-N 3.3Å; L214-C217 PolarHBondContact O-N 3.44Å; C217-G221 PolarHBondContact O-N 2.98Å; C217-A260 WeakPolarHBondContact O-CB 3.41Å; C217-M261 VanDerWaalsContact SG-CA 3.54Å; C217-M264 HydrophobicContact CB-CE 3.97Å
218H97.3Very high94.3Very high11 Ų1128.8 Ų28.85%0.05116%0.158CC..Hα-helixtrans-63.4-45.1175.4170.267.5000112.6I66 V70 L214 L215 L216 G221 C222 Y253I66-H218 PolarHBondContact O-NE2 3.36Å; I66-H218 VanDerWaalsContact O-NE2 3.08Å; V70-H218 VanDerWaalsContact CG2-CE1 3.45Å; V70-H218 WeakPolarHBondContact CG2-CE1 3.09Å; L214-H218 VanDerWaalsContact O-CB 3.28Å; L214-H218 WeakPolarHBondContact O-CB 3.35Å; L214-H218 PolarHBondContact O-N 3.41Å; L215-H218 WeakPolarHBondContact O-CB 3.42Å; L215-H218 PolarHBondContact O-N 2.97Å; L216-H218 VanDerWaalsContact C-N 3.32Å; L216-H218 PolarHBondContact O-N 2.99Å; H218-G221 PolarHBondContact O-N 3.33Å; H218-C222 PolarHBondContact O-N 3.46Å; H218-C222 PolarHBondContact O-SG 3.13Å; H218-Y253 AromaticContact CE1-CE2 3.77Å; H218-Y253 AromaticContact ND1-CE2 3.59Å; H218-Y253 AromaticContact ND1-CZ 3.67Å; H218-Y253 PolarHBondContact ND1-OH 3.34Å
219W96.7Very high94.4Very high46 Ų4628.2 Ų28.217%0.17415%0.154CC..Hα-helixtrans-67.1-41.3177.3-73.23.3000113.1L65 L176 L179 L215 L216 C222 L223L65-W219 HydrophobicContact CB-CZ2 4.05Å; L65-W219 HydrophobicContact CD1-CZ2 4.15Å; L65-W219 HydrophobicContact CD2-CZ2 3.96Å; L65-W219 HydrophobicContact CG-CZ2 4.24Å; L65-W219 PolarHBondContact O-NE1 2.8Å; L176-W219 HydrophobicContact CB-CH2 3.99Å; L176-W219 HydrophobicContact CB-CZ2 4.31Å; L176-W219 HydrophobicContact CD2-CH2 4.41Å; L176-W219 HydrophobicContact CD2-CZ2 3.87Å; L176-W219 HydrophobicContact CG-CZ2 4.45Å; L179-W219 HydrophobicContact CB-CH2 3.9Å; L179-W219 HydrophobicContact CD2-CH2 3.69Å; L179-W219 HydrophobicContact CD2-CZ3 3.7Å; L179-W219 HydrophobicContact CG-CH2 4.29Å; L215-W219 HydrophobicContact CD1-CZ2 4.41Å; L215-W219 HydrophobicContact CD2-CZ2 4.22Å; L215-W219 HydrophobicContact CG-CZ2 4.31Å; L215-W219 PolarHBondContact O-N 2.72Å; L216-W219 PolarHBondContact O-N 3.13Å; W219-C222 PolarHBondContact O-N 3.41Å; W219-L223 WeakPolarHBondContact O-CB 3.36Å; W219-L223 PolarHBondContact O-N 2.71Å
220D97Very high94.4Very high19 Ų1928.6 Ų28.610%0.10216%0.156CC..Hα-helixtrans-62-45.1173.5-179.453.9000110.3L216 C222 L223 Q224 A260 S286L216-D220 WeakPolarHBondContact O-CB 3.36Å; L216-D220 PolarHBondContact O-N 3.13Å; D220-C222 VanDerWaalsContact C-N 3.32Å; D220-C222 PolarHBondContact O-N 3.27Å; D220-L223 WeakPolarHBondContact O-CB 3.02Å; D220-L223 PolarHBondContact O-N 3.23Å; D220-Q224 WeakPolarHBondContact O-CB 2.99Å; D220-Q224 WeakPolarHBondContact O-CG 3.41Å; D220-Q224 PolarHBondContact O-N 3.27Å; D220-Q224 PolarHBondContact OD1-NE2 2.94Å; D220-Q224 VanDerWaalsContact OD1-NE2 3.08Å; D220-A260 HydrophobicContact CB-CB 3.99Å; D220-A260 WeakPolarHBondContact OD2-CA 3.25Å; D220-A260 WeakPolarHBondContact OD2-CB 3.38Å; D220-S286 VanDerWaalsContact CG-OG 3.3Å; D220-S286 WeakPolarHBondContact OD1-CB 3.23Å; D220-S286 VanDerWaalsContact OD2-CB 3.27Å; D220-S286 WeakPolarHBondContact OD2-CB 3.44Å; D220-S286 PolarHBondContact OD2-OG 2.91Å
221G96.8Very high94.2Very high0 Ų030.2 Ų30.20%016%0.162CC..Hα-helixtrans-55.3-45.6174.100000112.9C217 H218 F225 A256 A260C217-G221 PolarHBondContact O-N 2.98Å; H218-G221 PolarHBondContact O-N 3.33Å; G221-F225 PolarHBondContact O-N 3.25Å; G221-A256 WeakPolarHBondContact CA-O 3.15Å; G221-A256 WeakPolarHBondContact O-CB 3.41Å; G221-A260 VanDerWaalsContact N-CB 3.3Å
222C96.3Very high94.1Very high4 Ų433.1 Ų33.13%0.02717%0.169CC..Hα-helixtrans-63.7-41.7174.3-65.20000112.2P69 T73 H218 W219 D220 F225 L226P69-C222 HydrophobicContact CB-CB 3.78Å; T73-C222 HydrophobicContact CG2-CB 4.18Å; H218-C222 PolarHBondContact O-N 3.46Å; H218-C222 PolarHBondContact O-SG 3.13Å; W219-C222 PolarHBondContact O-N 3.41Å; D220-C222 VanDerWaalsContact C-N 3.32Å; D220-C222 PolarHBondContact O-N 3.27Å; C222-F225 PolarHBondContact O-N 3.02Å; C222-L226 VanDerWaalsContact O-CB 3.29Å; C222-L226 WeakPolarHBondContact O-CB 3.42Å; C222-L226 PolarHBondContact O-N 3.2Å
223L95.1Very high94.1Very high60 Ų6033.5 Ų33.531%0.31417%0.169SC..Hα-helixtrans-64.7-41.2179.1-179.363.3000112.6W219 D220 F225 L226 V227 L282W219-L223 WeakPolarHBondContact O-CB 3.36Å; W219-L223 PolarHBondContact O-N 2.71Å; D220-L223 WeakPolarHBondContact O-CB 3.02Å; D220-L223 PolarHBondContact O-N 3.23Å; L223-F225 PolarHBondContact O-N 3.17Å; L223-L226 HydrophobicContact CD1-CD2 4.42Å; L223-L226 PolarHBondContact O-N 3.37Å; L223-V227 HydrophobicContact CD1-CG2 4.08Å; L223-V227 PolarHBondContact O-N 3.33Å; L223-L282 HydrophobicContact CD2-CD2 4.23Å; L223-L282 HydrophobicContact CG-CD2 4.12Å
224Q95.4Very high94.1Very high0 Ų034 Ų340%017%0.174CC..Hα-helixtrans-61.5-28.6177.5-63.4-80.1-23.300112D220 P228 W238 L282 S286D220-Q224 WeakPolarHBondContact O-CB 2.99Å; D220-Q224 WeakPolarHBondContact O-CG 3.41Å; D220-Q224 PolarHBondContact O-N 3.27Å; D220-Q224 PolarHBondContact OD1-NE2 2.94Å; D220-Q224 VanDerWaalsContact OD1-NE2 3.08Å; Q224-P228 VanDerWaalsContact O-CD 3.23Å; Q224-P228 WeakPolarHBondContact O-CD 3.24Å; Q224-P228 WeakPolarHBondContact O-CG 3.46Å; Q224-W238 PolarHBondContact O-NE1 2.95Å; Q224-L282 PolarHBondContact NE2-O 3.29Å; Q224-S286 VanDerWaalsContact NE2-CB 3.33Å
225F95.4Very high94Very high7 Ų734.1 Ų34.13%0.03118%0.184CC..Hα-helixtrans-90.5-34.7172.4-173.1-99.9000113.2T73 F74 G221 C222 L223 V227 P228 M229 F233 W238 V239 L252 A256T73-F225 WeakPolarHBondContact O-CE1 3.46Å; F74-F225 AromaticContact CD1-CD1 3.61Å; F74-F225 HydrophobicContact CD1-CD1 3.61Å; F74-F225 AromaticContact CD1-CE1 3.62Å; F74-F225 HydrophobicContact CD1-CE1 3.62Å; F74-F225 HydrophobicContact CD1-CG 4.15Å; F74-F225 HydrophobicContact CD1-CZ 4.16Å; F74-F225 HydrophobicContact CE1-CB 3.86Å; F74-F225 AromaticContact CE1-CD1 3.3Å; F74-F225 HydrophobicContact CE1-CD1 3.3Å; F74-F225 AromaticContact CE1-CD2 3.91Å; F74-F225 HydrophobicContact CE1-CD2 3.91Å; F74-F225 AromaticContact CE1-CE1 3.75Å; F74-F225 HydrophobicContact CE1-CE1 3.75Å; F74-F225 HydrophobicContact CE1-CE2 4.3Å; F74-F225 AromaticContact CE1-CG 3.39Å; F74-F225 HydrophobicContact CE1-CG 3.39Å; F74-F225 HydrophobicContact CE1-CZ 4.23Å; F74-F225 HydrophobicContact CG-CD1 4.37Å; F74-F225 HydrophobicContact CG-CE1 4.43Å; F74-F225 HydrophobicContact CZ-CB 3.77Å; F74-F225 AromaticContact CZ-CD1 3.84Å; F74-F225 HydrophobicContact CZ-CD1 3.84Å; F74-F225 AromaticContact CZ-CG 3.83Å; F74-F225 HydrophobicContact CZ-CG 3.83Å; G221-F225 PolarHBondContact O-N 3.25Å; C222-F225 PolarHBondContact O-N 3.02Å; L223-F225 PolarHBondContact O-N 3.17Å; F225-V227 PolarHBondContact O-N 3.36Å; F225-P228 WeakPolarHBondContact O-CD 3.45Å; F225-M229 HydrophobicContact CE1-CB 4.38Å; F225-M229 WeakPolarHBondContact O-CB 3.25Å; F225-M229 PolarHBondContact O-N 3.41Å; F225-M229 VanDerWaalsContact O-N 3.16Å; F225-F233 HydrophobicContact CE1-CE1 4.44Å; F225-F233 HydrophobicContact CE1-CZ 4.28Å; F225-F233 AromaticContact CE2-CE1 3.78Å; F225-F233 HydrophobicContact CE2-CE1 3.78Å; F225-F233 HydrophobicContact CE2-CZ 4.25Å; F225-F233 AromaticContact CZ-CE1 3.7Å; F225-F233 HydrophobicContact CZ-CE1 3.7Å; F225-F233 AromaticContact CZ-CZ 3.69Å; F225-F233 HydrophobicContact CZ-CZ 3.69Å; F225-W238 HydrophobicContact CB-CZ2 4.1Å; F225-W238 AromaticContact CD2-CH2 3.97Å; F225-W238 HydrophobicContact CD2-CH2 3.97Å; F225-W238 AromaticContact CD2-CZ2 3.89Å; F225-W238 HydrophobicContact CD2-CZ2 3.89Å; F225-V239 HydrophobicContact CD2-CG2 3.85Å; F225-V239 HydrophobicContact CE2-CG1 4.03Å; F225-V239 HydrophobicContact CE2-CG2 3.93Å; F225-L252 HydrophobicContact CD2-CD2 4.45Å; F225-L252 HydrophobicContact CE2-CB 4.32Å; F225-L252 HydrophobicContact CE2-CD1 4.04Å; F225-L252 HydrophobicContact CE2-CD2 3.75Å; F225-L252 HydrophobicContact CE2-CG 4.27Å; F225-L252 HydrophobicContact CZ-CD1 3.9Å; F225-L252 HydrophobicContact CZ-CD2 4.46Å; F225-A256 HydrophobicContact CB-CB 4.22Å
226L92.8Very high93.9Very high12 Ų1235.9 Ų35.96%0.06319%0.193CC..Hα-helixtrans-56.8-47-179.317956.8000112.4I72 T73 L173 C222 L223 M229 L230I72-L226 HydrophobicContact CG2-CD1 4.46Å; T73-L226 HydrophobicContact CG2-CB 3.71Å; T73-L226 HydrophobicContact CG2-CD1 3.97Å; T73-L226 HydrophobicContact CG2-CG 4.24Å; L173-L226 HydrophobicContact CD1-CD2 3.87Å; C222-L226 VanDerWaalsContact O-CB 3.29Å; C222-L226 WeakPolarHBondContact O-CB 3.42Å; C222-L226 PolarHBondContact O-N 3.2Å; L223-L226 HydrophobicContact CD1-CD2 4.42Å; L223-L226 PolarHBondContact O-N 3.37Å; L226-M229 HydrophobicContact CD1-CE 3.68Å; L226-M229 WeakPolarHBondContact O-CB 3.31Å; L226-M229 PolarHBondContact O-N 3.29Å; L226-L230 HydrophobicContact CD1-CD1 3.93Å; L226-L230 HydrophobicContact CD1-CD2 4.35Å; L226-L230 HydrophobicContact CD1-CG 3.89Å; L226-L230 HydrophobicContact CG-CD1 3.94Å; L226-L230 HydrophobicContact CG-CG 4.29Å; L226-L230 WeakPolarHBondContact O-CG 3.26Å; L226-L230 PolarHBondContact O-N 3.21Å
227V92.8Very high93.8Very high35 Ų3533.6 Ų33.621%0.21218%0.181CC..Hα-helixtrans-67.7-47.8-173.5176.90000112.3L223 F225 M229 L230 Q231 L282L223-V227 HydrophobicContact CD1-CG2 4.08Å; L223-V227 PolarHBondContact O-N 3.33Å; F225-V227 PolarHBondContact O-N 3.36Å; V227-M229 VanDerWaalsContact C-N 3.27Å; V227-M229 PolarHBondContact O-N 3.04Å; V227-L230 PolarHBondContact O-N 3.48Å; V227-Q231 WeakPolarHBondContact O-CG 3.46Å; V227-Q231 PolarHBondContact O-N 2.92Å; V227-Q231 VanDerWaalsContact O-N 3.08Å; V227-L282 HydrophobicContact CB-CD1 3.61Å; V227-L282 HydrophobicContact CG1-CD1 3.89Å; V227-L282 HydrophobicContact CG2-CD1 3.83Å; V227-L282 HydrophobicContact CG2-CD2 4.16Å
228P93.1Very high93.6Very high0 Ų034 Ų340%018%0.182CC..Hα-helixtrans-53.7-40.7168.7-29.436000113.6Q224 F225 Q231 D232 F233 C237 V239Q224-P228 VanDerWaalsContact O-CD 3.23Å; Q224-P228 WeakPolarHBondContact O-CD 3.24Å; Q224-P228 WeakPolarHBondContact O-CG 3.46Å; F225-P228 WeakPolarHBondContact O-CD 3.45Å; P228-Q231 CarbonylContact O-C 3.48Å; P228-Q231 PolarHBondContact O-N 3.38Å; P228-Q231 VanDerWaalsContact O-N 3.15Å; P228-D232 PolarHBondContact O-N 3.22Å; P228-F233 HydrophobicContact CB-CD1 4.13Å; P228-F233 HydrophobicContact CB-CE1 4.46Å; P228-F233 PolarHBondContact O-N 2.93Å; P228-C237 HydrophobicContact CB-CB 4.16Å; P228-C237 HydrophobicContact CG-CB 4.29Å; P228-V239 HydrophobicContact CB-CG2 4.17Å; P228-V239 HydrophobicContact CG-CG2 4.48Å
229M90.1Very high93.5Very high29 Ų2933.5 Ų33.514%0.14318%0.18CC..Hα-helixtrans-65.4-39.4177.7178.6-96-78.500112.7I72 T73 K169 F225 L226 V227 Q231 D232 F233I72-M229 VanDerWaalsContact O-CE 3.26Å; I72-M229 WeakPolarHBondContact O-CE 3.21Å; T73-M229 WeakPolarHBondContact O-CE 3.41Å; K169-M229 HydrophobicContact CD-CE 4.14Å; K169-M229 HydrophobicContact CD-SD 4.18Å; F225-M229 HydrophobicContact CE1-CB 4.38Å; F225-M229 WeakPolarHBondContact O-CB 3.25Å; F225-M229 PolarHBondContact O-N 3.41Å; F225-M229 VanDerWaalsContact O-N 3.16Å; L226-M229 HydrophobicContact CD1-CE 3.68Å; L226-M229 WeakPolarHBondContact O-CB 3.31Å; L226-M229 PolarHBondContact O-N 3.29Å; V227-M229 VanDerWaalsContact C-N 3.27Å; V227-M229 PolarHBondContact O-N 3.04Å; M229-Q231 PolarHBondContact O-N 3.07Å; M229-D232 PolarHBondContact O-N 2.88Å; M229-F233 HydrophobicContact CB-CE1 3.92Å; M229-F233 HydrophobicContact CB-CE2 4.35Å; M229-F233 HydrophobicContact CB-CZ 3.63Å; M229-F233 HydrophobicContact CG-CE2 4.29Å; M229-F233 HydrophobicContact CG-CZ 3.87Å
230L88Confident93.4Very high37 Ų3732.6 Ų32.619%0.19418%0.181CC..Hα-helixtrans-68.6-21.1173.6-68.1176000113.2R166 K169 L226 V227R166-L230 HydrophobicContact CB-CD2 3.9Å; R166-L230 WeakPolarHBondContact CD-O 3.2Å; R166-L230 HydrophobicContact CG-CD2 3.84Å; R166-L230 PolarHBondContact NH1-O 3.46Å; K169-L230 HydrophobicContact CD-CD2 4.46Å; L226-L230 HydrophobicContact CD1-CD1 3.93Å; L226-L230 HydrophobicContact CD1-CD2 4.35Å; L226-L230 HydrophobicContact CD1-CG 3.89Å; L226-L230 HydrophobicContact CG-CD1 3.94Å; L226-L230 HydrophobicContact CG-CG 4.29Å; L226-L230 WeakPolarHBondContact O-CG 3.26Å; L226-L230 PolarHBondContact O-N 3.21Å; V227-L230 PolarHBondContact O-N 3.48Å
231Q89.4Confident93.2Very high89 Ų8934.3 Ų34.342%0.41619%0.189SC..THydrogen-bonded Turntrans-93.78.1176.2-68.1-178.1-40.500113.7V227 P228 M229 F233 P234 S278V227-Q231 WeakPolarHBondContact O-CG 3.46Å; V227-Q231 PolarHBondContact O-N 2.92Å; V227-Q231 VanDerWaalsContact O-N 3.08Å; P228-Q231 CarbonylContact O-C 3.48Å; P228-Q231 PolarHBondContact O-N 3.38Å; P228-Q231 VanDerWaalsContact O-N 3.15Å; M229-Q231 PolarHBondContact O-N 3.07Å; Q231-F233 VanDerWaalsContact C-N 3.34Å; Q231-F233 PolarHBondContact O-N 2.88Å; Q231-P234 HydrophobicContact CB-CG 4.26Å; Q231-S278 PolarHBondContact OE1-OG 3.48Å; Q231-S278 VanDerWaalsContact OE1-OG 3.13Å
232D89.3Confident93Very high102 Ų10235.2 Ų35.255%0.54519%0.194SC..THydrogen-bonded Turntrans61.133.8-176.3-54.3-61.8000114.6R166 P228 M229R166-D232 IonicContact CZ-OD1 2.75Å; R166-D232 VanDerWaalsContact CZ-OD1 3.27Å; R166-D232 IonicContact CZ-OD2 2.69Å; R166-D232 IonicContact NH1-OD1 2.96Å; R166-D232 IonicContact NH1-OD2 3.32Å; R166-D232 PolarHBondContact NH1-OD2 3.1Å; R166-D232 IonicContact NH2-OD1 3.97Å; R166-D232 PolarHBondContact NH2-OD1 3.46Å; R166-D232 IonicContact NH2-OD2 3.55Å; R166-D232 PolarHBondContact NH2-OD2 2.89Å; P228-D232 PolarHBondContact O-N 3.22Å; M229-D232 PolarHBondContact O-N 2.88Å
233F92.8Very high92.9Very high49 Ų4943.7 Ų43.722%0.21523%0.23CC..  trans53.566.1177.6-56.1-72.6000113.8F225 P228 M229 Q231 V239 S240 V245F225-F233 HydrophobicContact CE1-CE1 4.44Å; F225-F233 HydrophobicContact CE1-CZ 4.28Å; F225-F233 AromaticContact CE2-CE1 3.78Å; F225-F233 HydrophobicContact CE2-CE1 3.78Å; F225-F233 HydrophobicContact CE2-CZ 4.25Å; F225-F233 AromaticContact CZ-CE1 3.7Å; F225-F233 HydrophobicContact CZ-CE1 3.7Å; F225-F233 AromaticContact CZ-CZ 3.69Å; F225-F233 HydrophobicContact CZ-CZ 3.69Å; P228-F233 HydrophobicContact CB-CD1 4.13Å; P228-F233 HydrophobicContact CB-CE1 4.46Å; P228-F233 PolarHBondContact O-N 2.93Å; M229-F233 HydrophobicContact CB-CE1 3.92Å; M229-F233 HydrophobicContact CB-CE2 4.35Å; M229-F233 HydrophobicContact CB-CZ 3.63Å; M229-F233 HydrophobicContact CG-CE2 4.29Å; M229-F233 HydrophobicContact CG-CZ 3.87Å; Q231-F233 VanDerWaalsContact C-N 3.34Å; Q231-F233 PolarHBondContact O-N 2.88Å; F233-V239 HydrophobicContact CD1-CB 4.08Å; F233-V239 HydrophobicContact CD1-CG1 4.08Å; F233-V239 HydrophobicContact CD1-CG2 4.26Å; F233-V239 HydrophobicContact CE1-CB 4.47Å; F233-V239 HydrophobicContact CE1-CG1 4.19Å; F233-V239 HydrophobicContact CE1-CG2 4.33Å; F233-S240 PolarHBondContact O-OG 3Å; F233-S240 VanDerWaalsContact O-OG 3.05Å; F233-V245 HydrophobicContact CB-CG1 4.33Å; F233-V245 HydrophobicContact CB-CG2 4.26Å; F233-V245 HydrophobicContact CD2-CG1 3.93Å; F233-V245 HydrophobicContact CE2-CG1 4.42Å; F233-V245 HydrophobicContact CG-CG1 4.08Å; F233-V245 HydrophobicContact CG-CG2 4.44Å
234P93.9Very high92.8Very high37 Ų3741.8 Ų41.824%0.2422%0.22CC..  trans-61.9156.1-179.131.2-36.9000111.1Q231 D236 C237 S240Q231-P234 HydrophobicContact CB-CG 4.26Å; P234-D236 WeakPolarHBondContact CB-OD1 3.46Å; P234-D236 PolarHBondContact O-N 3.32Å; P234-D236 VanDerWaalsContact O-N 3.13Å; P234-C237 HydrophobicContact CG-CB 4.07Å; P234-C237 PolarHBondContact O-N 2.85Å; P234-C237 VanDerWaalsContact O-N 3.14Å; P234-C237 PolarHBondContact O-SG 3.07Å; P234-S240 VanDerWaalsContact O-CB 3.27Å; P234-S240 WeakPolarHBondContact O-CB 3.32Å; P234-S240 PolarHBondContact O-OG 3.31Å
235S92.9Very high92.7Very high105 Ų10543.7 Ų43.773%0.73423%0.232SC*.THydrogen-bonded Turntrans-64.2-21.9-168.750.10000114.7
236D92.9Very high92.5Very high59 Ų5950.2 Ų50.232%0.31627%0.267SS..THydrogen-bonded Turntrans-95.2-0.5-17963.1-37.6000113.9P234 L241 S276P234-D236 WeakPolarHBondContact CB-OD1 3.46Å; P234-D236 PolarHBondContact O-N 3.32Å; P234-D236 VanDerWaalsContact O-N 3.13Å; D236-L241 VanDerWaalsContact O-CD1 3.31Å; D236-L241 WeakPolarHBondContact O-CD1 3.29Å; D236-S276 WeakPolarHBondContact OD2-CA 3.49Å; D236-S276 WeakPolarHBondContact OD2-CB 3.49Å; D236-S276 PolarHBondContact OD2-OG 3.31Å
237C94.3Very high92.5Very high0 Ų053 Ų530%028%0.282CS..SBendtrans-81.7153.6174790000112.4P228 P234 V239 S240 L241 D279P228-C237 HydrophobicContact CB-CB 4.16Å; P228-C237 HydrophobicContact CG-CB 4.29Å; P234-C237 HydrophobicContact CG-CB 4.07Å; P234-C237 PolarHBondContact O-N 2.85Å; P234-C237 VanDerWaalsContact O-N 3.14Å; P234-C237 PolarHBondContact O-SG 3.07Å; C237-V239 PolarHBondContact O-N 3.18Å; C237-V239 VanDerWaalsContact O-N 3.09Å; C237-S240 PolarHBondContact O-N 2.76Å; C237-S240 VanDerWaalsContact O-N 3.1Å; C237-S240 PolarHBondContact SG-OG 2.92Å; C237-L241 WeakPolarHBondContact O-CG 3.33Å; C237-L241 PolarHBondContact O-N 2.87Å; C237-D279 WeakPolarHBondContact CA-OD2 3.35Å
238W94.2Very high92.6Very high14 Ų1453.4 Ų53.45%0.05329%0.287CS..Hα-helixtrans-56-30.3-177.972.6-92.7000114.2Q224 F225 N242 M244 F255 A256 D279Q224-W238 PolarHBondContact O-NE1 2.95Å; F225-W238 HydrophobicContact CB-CZ2 4.1Å; F225-W238 AromaticContact CD2-CH2 3.97Å; F225-W238 HydrophobicContact CD2-CH2 3.97Å; F225-W238 AromaticContact CD2-CZ2 3.89Å; F225-W238 HydrophobicContact CD2-CZ2 3.89Å; W238-N242 VanDerWaalsContact O-CB 3.25Å; W238-N242 WeakPolarHBondContact O-CB 3.46Å; W238-N242 PolarHBondContact O-N 3.46Å; W238-N242 VanDerWaalsContact O-N 3.14Å; W238-N242 PolarHBondContact O-ND2 3.33Å; W238-M244 HydrophobicContact CE3-CE 4.14Å; W238-M244 HydrophobicContact CZ3-CE 3.68Å; W238-F255 AromaticContact CE3-CD1 3.83Å; W238-F255 HydrophobicContact CE3-CD1 3.83Å; W238-F255 AromaticContact CE3-CE1 3.82Å; W238-F255 HydrophobicContact CE3-CE1 3.82Å; W238-F255 HydrophobicContact CH2-CD1 4.14Å; W238-F255 AromaticContact CZ3-CD1 3.36Å; W238-F255 HydrophobicContact CZ3-CD1 3.36Å; W238-F255 AromaticContact CZ3-CE1 3.86Å; W238-F255 HydrophobicContact CZ3-CE1 3.86Å; W238-F255 HydrophobicContact CZ3-CG 4.32Å; W238-A256 HydrophobicContact CH2-CB 3.87Å; W238-A256 HydrophobicContact CZ2-CB 4.07Å; W238-D279 PolarHBondContact N-OD2 2.68Å
239V94.8Very high92.6Very high0 Ų059.6 Ų59.60%031%0.31CS..Hα-helixtrans-69.3-46.2178.9-169.90000110.7F225 P228 F233 C237 K243 M244 V245 L252F225-V239 HydrophobicContact CD2-CG2 3.85Å; F225-V239 HydrophobicContact CE2-CG1 4.03Å; F225-V239 HydrophobicContact CE2-CG2 3.93Å; P228-V239 HydrophobicContact CB-CG2 4.17Å; P228-V239 HydrophobicContact CG-CG2 4.48Å; F233-V239 HydrophobicContact CD1-CB 4.08Å; F233-V239 HydrophobicContact CD1-CG1 4.08Å; F233-V239 HydrophobicContact CD1-CG2 4.26Å; F233-V239 HydrophobicContact CE1-CB 4.47Å; F233-V239 HydrophobicContact CE1-CG1 4.19Å; F233-V239 HydrophobicContact CE1-CG2 4.33Å; C237-V239 PolarHBondContact O-N 3.18Å; C237-V239 VanDerWaalsContact O-N 3.09Å; V239-K243 PolarHBondContact O-N 2.96Å; V239-M244 PolarHBondContact O-N 3.28Å; V239-V245 HydrophobicContact CB-CG2 4.47Å; V239-V245 HydrophobicContact CG1-CB 4.46Å; V239-V245 HydrophobicContact CG1-CG2 3.83Å; V239-L252 HydrophobicContact CG1-CD2 4.06Å
240S94.1Very high92.8Very high27 Ų2760.6 Ų60.619%0.18932%0.32CS..Hα-helixtrans-71-43.3-179.8-63.80000112F233 P234 C237 N242 K243F233-S240 PolarHBondContact O-OG 3Å; F233-S240 VanDerWaalsContact O-OG 3.05Å; P234-S240 VanDerWaalsContact O-CB 3.27Å; P234-S240 WeakPolarHBondContact O-CB 3.32Å; P234-S240 PolarHBondContact O-OG 3.31Å; C237-S240 PolarHBondContact O-N 2.76Å; C237-S240 VanDerWaalsContact O-N 3.1Å; C237-S240 PolarHBondContact SG-OG 2.92Å; S240-N242 VanDerWaalsContact C-N 3.33Å; S240-N242 PolarHBondContact O-N 2.84Å; S240-K243 WeakPolarHBondContact O-CA 3.44Å; S240-K243 PolarHBondContact O-N 3.39Å
241L93Very high93.1Very high54 Ų5464 Ų6428%0.28334%0.335SS..Hα-helixtrans-61.2-39.8176.4-69.2169.6000112.1D236 C237 K243 E275D236-L241 VanDerWaalsContact O-CD1 3.31Å; D236-L241 WeakPolarHBondContact O-CD1 3.29Å; C237-L241 WeakPolarHBondContact O-CG 3.33Å; C237-L241 PolarHBondContact O-N 2.87Å; L241-K243 PolarHBondContact O-N 3.39Å; L241-E275 HydrophobicContact CD1-CB 4.39Å; L241-E275 HydrophobicContact CD1-CG 4.34Å
242N93.1Very high93.4Very high19 Ų1960.4 Ų60.410%0.10232%0.318CS..THydrogen-bonded Turntrans-77.4-5.6174.2-68-38.4000113.9W238 S240 M244 R271W238-N242 VanDerWaalsContact O-CB 3.25Å; W238-N242 WeakPolarHBondContact O-CB 3.46Å; W238-N242 PolarHBondContact O-N 3.46Å; W238-N242 VanDerWaalsContact O-N 3.14Å; W238-N242 PolarHBondContact O-ND2 3.33Å; S240-N242 VanDerWaalsContact C-N 3.33Å; S240-N242 PolarHBondContact O-N 2.84Å; N242-M244 VanDerWaalsContact C-N 3.3Å; N242-M244 HydrophobicContact CB-CE 3.56Å; N242-M244 HydrophobicContact CB-CG 3.88Å; N242-M244 HydrophobicContact CB-SD 4.19Å; N242-M244 WeakPolarHBondContact O-CG 3.45Å; N242-M244 PolarHBondContact O-N 3.07Å; N242-R271 WeakPolarHBondContact OD1-CD 3.29Å
243K94.2Very high93.8Very high182 Ų18257.9 Ų57.979%0.79130%0.302SS*.THydrogen-bonded Turntrans63.724.2-177.9-53.5-179.6-179.6178.70115.4V239 S240 L241V239-K243 PolarHBondContact O-N 2.96Å; S240-K243 WeakPolarHBondContact O-CA 3.44Å; S240-K243 PolarHBondContact O-N 3.39Å; L241-K243 PolarHBondContact O-N 3.39Å
244M92.6Very high94Very high20 Ų2059 Ų5910%0.09932%0.315CS..  trans-95.25.8-171.3-57-169.8-67.900114.8W238 V239 N242 N246 D247 L252 F255W238-M244 HydrophobicContact CE3-CE 4.14Å; W238-M244 HydrophobicContact CZ3-CE 3.68Å; V239-M244 PolarHBondContact O-N 3.28Å; N242-M244 VanDerWaalsContact C-N 3.3Å; N242-M244 HydrophobicContact CB-CE 3.56Å; N242-M244 HydrophobicContact CB-CG 3.88Å; N242-M244 HydrophobicContact CB-SD 4.19Å; N242-M244 WeakPolarHBondContact O-CG 3.45Å; N242-M244 PolarHBondContact O-N 3.07Å; M244-N246 PolarHBondContact O-N 2.82Å; M244-D247 VanDerWaalsContact CA-OD2 3.29Å; M244-D247 WeakPolarHBondContact CA-OD2 3.44Å; M244-D247 HydrophobicContact CB-CB 4.36Å; M244-D247 VanDerWaalsContact CB-OD2 3.23Å; M244-D247 WeakPolarHBondContact CB-OD2 3.47Å; M244-D247 VanDerWaalsContact CG-OD2 3.27Å; M244-D247 WeakPolarHBondContact CG-OD2 3.4Å; M244-D247 WeakPolarHBondContact O-CB 3.37Å; M244-D247 PolarHBondContact O-N 3.11Å; M244-L252 HydrophobicContact CB-CD2 3.85Å; M244-L252 WeakPolarHBondContact O-CD2 3.4Å; M244-F255 HydrophobicContact CE-CB 4.06Å; M244-F255 HydrophobicContact CE-CD1 3.62Å; M244-F255 HydrophobicContact CE-CD2 3.9Å; M244-F255 HydrophobicContact CE-CE1 3.97Å; M244-F255 HydrophobicContact CE-CE2 4.24Å; M244-F255 HydrophobicContact CE-CG 3.57Å; M244-F255 HydrophobicContact CE-CZ 4.26Å; M244-F255 HydrophobicContact SD-CD2 4.34Å; M244-F255 HydrophobicContact SD-CG 4.38Å
245V92.5Very high94.1Very high40 Ų4059 Ų5924%0.24231%0.312CS..THydrogen-bonded Turntrans-55.7-26.8-172.7-179.60000113.8F233 V239F233-V245 HydrophobicContact CB-CG1 4.33Å; F233-V245 HydrophobicContact CB-CG2 4.26Å; F233-V245 HydrophobicContact CD2-CG1 3.93Å; F233-V245 HydrophobicContact CE2-CG1 4.42Å; F233-V245 HydrophobicContact CG-CG1 4.08Å; F233-V245 HydrophobicContact CG-CG2 4.44Å; V239-V245 HydrophobicContact CB-CG2 4.47Å; V239-V245 HydrophobicContact CG1-CB 4.46Å; V239-V245 HydrophobicContact CG1-CG2 3.83Å
246N91.8Very high94.3Very high144 Ų14454 Ų5477%0.7728%0.277SS*.THydrogen-bonded Turntrans-108.65.3-178.3-65.3-42.2000114M244M244-N246 PolarHBondContact O-N 2.82Å
247D93.4Very high94.5Very high70 Ų7053.1 Ų53.137%0.37427%0.272SS..SBendtrans-74.2172.9-177.4-64.90.1000111.4M244 E251 L252M244-D247 VanDerWaalsContact CA-OD2 3.29Å; M244-D247 WeakPolarHBondContact CA-OD2 3.44Å; M244-D247 HydrophobicContact CB-CB 4.36Å; M244-D247 VanDerWaalsContact CB-OD2 3.23Å; M244-D247 WeakPolarHBondContact CB-OD2 3.47Å; M244-D247 VanDerWaalsContact CG-OD2 3.27Å; M244-D247 WeakPolarHBondContact CG-OD2 3.4Å; M244-D247 WeakPolarHBondContact O-CB 3.37Å; M244-D247 PolarHBondContact O-N 3.11Å; D247-E251 HydrophobicContact CB-CB 4.48Å; D247-L252 HydrophobicContact CB-CG 4.46Å
248S94.7Very high94.7Very high45 Ų4558.5 Ų58.532%0.31530%0.295SS..  trans-65.1148.1179.773.40000111.4S250 E251 L252S248-S250 PolarHBondContact O-N 2.97Å; S248-S250 VanDerWaalsContact O-N 3.11Å; S248-S250 PolarHBondContact OG-OG 3.44Å; S248-E251 WeakPolarHBondContact CB-OE2 3.3Å; S248-E251 PolarHBondContact N-OE2 3.41Å; S248-E251 PolarHBondContact O-N 2.89Å; S248-E251 VanDerWaalsContact OG-CG 3.28Å; S248-E251 WeakPolarHBondContact OG-CG 3.33Å; S248-E251 PolarHBondContact OG-N 3.26Å; S248-E251 PolarHBondContact OG-OE2 3.25Å; S248-L252 PolarHBondContact O-N 3.26Å
249W93.1Very high94.8Very high129 Ų12958.1 Ų58.149%0.48929%0.294SS..Hα-helixtrans-55.8-31.817772.7-95.5000112.2V70 F74 F75 Y253V70-W249 HydrophobicContact CG1-CZ3 4.39Å; F74-W249 HydrophobicContact CB-CB 4.04Å; F75-W249 AromaticContact CE1-CD2 3.94Å; F75-W249 HydrophobicContact CE1-CD2 3.94Å; F75-W249 HydrophobicContact CE1-CE3 4.24Å; F75-W249 HydrophobicContact CE1-CG 4.17Å; W249-Y253 VanDerWaalsContact O-CB 3.23Å; W249-Y253 WeakPolarHBondContact O-CB 3.31Å; W249-Y253 PolarHBondContact O-N 3.17Å
250S94.1Very high94.9Very high51 Ų5158.1 Ų58.136%0.35729%0.294SS..Hα-helixtrans-68.5-40.8176.233.60000113.3S248 S254S248-S250 PolarHBondContact O-N 2.97Å; S248-S250 VanDerWaalsContact O-N 3.11Å; S248-S250 PolarHBondContact OG-OG 3.44Å; S250-S254 VanDerWaalsContact O-CB 3.23Å; S250-S254 WeakPolarHBondContact O-CB 3.46Å; S250-S254 PolarHBondContact O-N 2.94Å; S250-S254 PolarHBondContact O-OG 3.38Å
251E94.8Very high95Very high109 Ų10960.3 Ų60.351%0.50930%0.302SS..Hα-helixtrans-69.5-45.6176.8-72.4158.2139.400110.4D247 S248 S254 F255D247-E251 HydrophobicContact CB-CB 4.48Å; S248-E251 WeakPolarHBondContact CB-OE2 3.3Å; S248-E251 PolarHBondContact N-OE2 3.41Å; S248-E251 PolarHBondContact O-N 2.89Å; S248-E251 VanDerWaalsContact OG-CG 3.28Å; S248-E251 WeakPolarHBondContact OG-CG 3.33Å; S248-E251 PolarHBondContact OG-N 3.26Å; S248-E251 PolarHBondContact OG-OE2 3.25Å; E251-S254 PolarHBondContact O-N 2.82Å; E251-F255 PolarHBondContact O-N 2.89Å
252L95.4Very high95.3Very high12 Ų1258 Ų586%0.06329%0.29CS..Hα-helixtrans-57.9-48.9175.1-76.3173.2000112.4F74 F225 V239 M244 D247 S248 A256F74-L252 HydrophobicContact CD1-CB 3.93Å; F74-L252 HydrophobicContact CE1-CB 3.88Å; F225-L252 HydrophobicContact CD2-CD2 4.45Å; F225-L252 HydrophobicContact CE2-CB 4.32Å; F225-L252 HydrophobicContact CE2-CD1 4.04Å; F225-L252 HydrophobicContact CE2-CD2 3.75Å; F225-L252 HydrophobicContact CE2-CG 4.27Å; F225-L252 HydrophobicContact CZ-CD1 3.9Å; F225-L252 HydrophobicContact CZ-CD2 4.46Å; V239-L252 HydrophobicContact CG1-CD2 4.06Å; M244-L252 HydrophobicContact CB-CD2 3.85Å; M244-L252 WeakPolarHBondContact O-CD2 3.4Å; D247-L252 HydrophobicContact CB-CG 4.46Å; S248-L252 PolarHBondContact O-N 3.26Å; L252-A256 VanDerWaalsContact O-CB 3.28Å; L252-A256 WeakPolarHBondContact O-CB 3.44Å; L252-A256 PolarHBondContact O-N 3.15Å
253Y96.9Very high95.4Very high50 Ų5057.3 Ų57.320%0.19629%0.287CS..Hα-helixtrans-62.6-44.7175.7171.7-107.3000112V70 F74 H218 W249 F255 A256 L257V70-Y253 HydrophobicContact CG2-CD2 4.44Å; V70-Y253 HydrophobicContact CG2-CE2 4.19Å; F74-Y253 HydrophobicContact CD2-CD2 4.3Å; F74-Y253 AromaticContact CE2-CD2 3.63Å; F74-Y253 HydrophobicContact CE2-CD2 3.63Å; F74-Y253 HydrophobicContact CE2-CG 4.29Å; F74-Y253 HydrophobicContact CZ-CD2 4.03Å; H218-Y253 AromaticContact CE1-CE2 3.77Å; H218-Y253 AromaticContact ND1-CE2 3.59Å; H218-Y253 AromaticContact ND1-CZ 3.67Å; H218-Y253 PolarHBondContact ND1-OH 3.34Å; W249-Y253 VanDerWaalsContact O-CB 3.23Å; W249-Y253 WeakPolarHBondContact O-CB 3.31Å; W249-Y253 PolarHBondContact O-N 3.17Å; Y253-F255 VanDerWaalsContact C-N 3.35Å; Y253-F255 PolarHBondContact O-N 3.45Å; Y253-A256 PolarHBondContact O-N 3.37Å; Y253-L257 HydrophobicContact CE1-CD2 4.18Å; Y253-L257 VanDerWaalsContact O-CB 3.28Å; Y253-L257 WeakPolarHBondContact O-CB 3.5Å; Y253-L257 PolarHBondContact O-N 3.2Å
254S97Very high95.6Very high71 Ų7149 Ų4950%0.49725%0.25SS..Hα-helixtrans-62.5-41.7-179.4-60.70000111.9S250 E251 F258S250-S254 VanDerWaalsContact O-CB 3.23Å; S250-S254 WeakPolarHBondContact O-CB 3.46Å; S250-S254 PolarHBondContact O-N 2.94Å; S250-S254 PolarHBondContact O-OG 3.38Å; E251-S254 PolarHBondContact O-N 2.82Å; S254-F258 VanDerWaalsContact O-CB 3.31Å; S254-F258 WeakPolarHBondContact O-CB 3.12Å; S254-F258 PolarHBondContact O-N 3.01Å
255F96.6Very high95.7Very high39 Ų3951.2 Ų51.217%0.17126%0.263CS..Hα-helixtrans-71-40.2176.8-167.5-80.7000112.3W238 M244 E251 Y253 F258 K259 R271W238-F255 AromaticContact CE3-CD1 3.83Å; W238-F255 HydrophobicContact CE3-CD1 3.83Å; W238-F255 AromaticContact CE3-CE1 3.82Å; W238-F255 HydrophobicContact CE3-CE1 3.82Å; W238-F255 HydrophobicContact CH2-CD1 4.14Å; W238-F255 AromaticContact CZ3-CD1 3.36Å; W238-F255 HydrophobicContact CZ3-CD1 3.36Å; W238-F255 AromaticContact CZ3-CE1 3.86Å; W238-F255 HydrophobicContact CZ3-CE1 3.86Å; W238-F255 HydrophobicContact CZ3-CG 4.32Å; M244-F255 HydrophobicContact CE-CB 4.06Å; M244-F255 HydrophobicContact CE-CD1 3.62Å; M244-F255 HydrophobicContact CE-CD2 3.9Å; M244-F255 HydrophobicContact CE-CE1 3.97Å; M244-F255 HydrophobicContact CE-CE2 4.24Å; M244-F255 HydrophobicContact CE-CG 3.57Å; M244-F255 HydrophobicContact CE-CZ 4.26Å; M244-F255 HydrophobicContact SD-CD2 4.34Å; M244-F255 HydrophobicContact SD-CG 4.38Å; E251-F255 PolarHBondContact O-N 2.89Å; Y253-F255 VanDerWaalsContact C-N 3.35Å; Y253-F255 PolarHBondContact O-N 3.45Å; F255-F258 HydrophobicContact CE2-CD1 4.48Å; F255-F258 WeakPolarHBondContact O-CB 3.12Å; F255-F258 PolarHBondContact O-N 3.37Å; F255-K259 PolarHBondContact O-N 3.42Å; F255-R271 HydrophobicContact CZ-CB 4.11Å
256A96.8Very high95.9Very high0 Ų053.3 Ų53.30%028%0.278CS..Hα-helixtrans-64-41.9176.900000111.7F74 G221 F225 W238 L252 Y253 K259 A260F74-A256 HydrophobicContact CZ-CB 4.25Å; G221-A256 WeakPolarHBondContact CA-O 3.15Å; G221-A256 WeakPolarHBondContact O-CB 3.41Å; F225-A256 HydrophobicContact CB-CB 4.22Å; W238-A256 HydrophobicContact CH2-CB 3.87Å; W238-A256 HydrophobicContact CZ2-CB 4.07Å; L252-A256 VanDerWaalsContact O-CB 3.28Å; L252-A256 WeakPolarHBondContact O-CB 3.44Å; L252-A256 PolarHBondContact O-N 3.15Å; Y253-A256 PolarHBondContact O-N 3.37Å; A256-K259 PolarHBondContact O-N 3.32Å; A256-A260 PolarHBondContact O-N 3.5Å
257L97.6Very high96.1Very high39 Ų3952.8 Ų52.820%0.20427%0.274CS..Hα-helixtrans-64.5-41172.8-177.366.9000111.7Y253 A260 M261Y253-L257 HydrophobicContact CE1-CD2 4.18Å; Y253-L257 VanDerWaalsContact O-CB 3.28Å; Y253-L257 WeakPolarHBondContact O-CB 3.5Å; Y253-L257 PolarHBondContact O-N 3.2Å; L257-A260 PolarHBondContact O-N 2.94Å; L257-M261 VanDerWaalsContact O-CB 3.23Å; L257-M261 WeakPolarHBondContact O-CB 3.36Å; L257-M261 PolarHBondContact O-N 3.44Å
258F97.3Very high95.9Very high113 Ų11350.7 Ų50.750%0.49627%0.269SS..Hα-helixtrans-59-45.2173.7166.1-108.7000111.8S254 F255 M261 S262S254-F258 VanDerWaalsContact O-CB 3.31Å; S254-F258 WeakPolarHBondContact O-CB 3.12Å; S254-F258 PolarHBondContact O-N 3.01Å; F255-F258 HydrophobicContact CE2-CD1 4.48Å; F255-F258 WeakPolarHBondContact O-CB 3.12Å; F255-F258 PolarHBondContact O-N 3.37Å; F258-M261 PolarHBondContact O-N 2.88Å; F258-S262 WeakPolarHBondContact O-CB 3.44Å; F258-S262 PolarHBondContact O-N 2.91Å; F258-S262 PolarHBondContact O-OG 3.47Å
259K96.4Very high95.5Very high6 Ų653.6 Ų53.63%0.02627%0.273CS..Hα-helixtrans-61.9-43.1176.4-175.9173.3-172.2-81.20112.4F255 A256 S262 H263 T283F255-K259 PolarHBondContact O-N 3.42Å; A256-K259 PolarHBondContact O-N 3.32Å; K259-S262 PolarHBondContact O-OG 3.36Å; K259-H263 PolarHBondContact O-N 2.52Å; K259-H263 PolarHBondContact O-ND1 2.95Å; K259-T283 PolarHBondContact NZ-OG1 3.28Å
260A97.4Very high95.1Very high0 Ų048.9 Ų48.90%027%0.265CS..Hα-helixtrans-65.8-43.5175.100000112.3C217 D220 G221 A256 L257 S262 H263 M264C217-A260 WeakPolarHBondContact O-CB 3.41Å; D220-A260 HydrophobicContact CB-CB 3.99Å; D220-A260 WeakPolarHBondContact OD2-CA 3.25Å; D220-A260 WeakPolarHBondContact OD2-CB 3.38Å; G221-A260 VanDerWaalsContact N-CB 3.3Å; A256-A260 PolarHBondContact O-N 3.5Å; L257-A260 PolarHBondContact O-N 2.94Å; A260-S262 VanDerWaalsContact C-N 3.34Å; A260-S262 PolarHBondContact O-N 3.37Å; A260-H263 PolarHBondContact O-N 2.81Å; A260-M264 WeakPolarHBondContact O-CB 3.25Å; A260-M264 PolarHBondContact O-N 3.19Å
261M97.4Very high94.8Very high74 Ų7455.3 Ų55.337%0.36528%0.281SS..Hα-helixtrans-65.4-36.6178.5-169.6177.4-65.300112.2C217 L257 F258 H263 M264 L265C217-M261 VanDerWaalsContact SG-CA 3.54Å; L257-M261 VanDerWaalsContact O-CB 3.23Å; L257-M261 WeakPolarHBondContact O-CB 3.36Å; L257-M261 PolarHBondContact O-N 3.44Å; F258-M261 PolarHBondContact O-N 2.88Å; M261-H263 VanDerWaalsContact C-N 3.31Å; M261-H263 PolarHBondContact O-N 2.78Å; M261-M264 PolarHBondContact O-N 2.66Å; M261-L265 HydrophobicContact CG-CD1 3.9Å; M261-L265 HydrophobicContact CG-CG 4.32Å; M261-L265 WeakPolarHBondContact O-CB 3.06Å; M261-L265 PolarHBondContact O-N 2.94Å; M261-L265 HydrophobicContact SD-CD1 4.46Å
262S97.3Very high94.6Very high4 Ų454 Ų543%0.02828%0.275CS..Hα-helixtrans-69.9-26.6177.266.30000112.7F258 K259 A260 I267 G268F258-S262 WeakPolarHBondContact O-CB 3.44Å; F258-S262 PolarHBondContact O-N 2.91Å; F258-S262 PolarHBondContact O-OG 3.47Å; K259-S262 PolarHBondContact O-OG 3.36Å; A260-S262 VanDerWaalsContact C-N 3.34Å; A260-S262 PolarHBondContact O-N 3.37Å; S262-I267 WeakPolarHBondContact O-CA 3.3Å; S262-I267 PolarHBondContact O-N 3.04Å; S262-G268 CarbonylContact C-O 3.6Å; S262-G268 WeakPolarHBondContact CB-O 3.42Å; S262-G268 PolarHBondContact O-N 2.97Å; S262-G268 VanDerWaalsContact O-N 3.09Å; S262-G268 PolarHBondContact OG-O 3.16Å
263H97Very high94.4Very high6 Ų656.4 Ų56.43%0.02830%0.297CS..Hα-helixtrans-76.4-46.4166.6-55154.6000111.9K259 A260 M261 L265 C266 G268 Y269 S286 M287K259-H263 PolarHBondContact O-N 2.52Å; K259-H263 PolarHBondContact O-ND1 2.95Å; A260-H263 PolarHBondContact O-N 2.81Å; M261-H263 VanDerWaalsContact C-N 3.31Å; M261-H263 PolarHBondContact O-N 2.78Å; H263-L265 VanDerWaalsContact C-N 3.3Å; H263-L265 PolarHBondContact O-N 3.3Å; H263-C266 PolarHBondContact O-N 3.33Å; H263-G268 PolarHBondContact CD2-O 3.18Å; H263-Y269 AromaticContact NE2-CD1 3.88Å; H263-S286 VanDerWaalsContact CB-OG 3.23Å; H263-S286 WeakPolarHBondContact CB-OG 3.42Å; H263-S286 WeakPolarHBondContact ND1-CB 3.27Å; H263-S286 PolarHBondContact ND1-OG 2.9Å; H263-M287 HydrophobicContact CB-CG 4.25Å
264M96.9Very high94.2Very high6 Ų655.6 Ų55.63%0.0330%0.297CS..Hα-helixtrans-53.8-44.3179.6-176.569.766.700112.5M213 L216 C217 A260 M261 C293M213-M264 HydrophobicContact CG-CG 4.08Å; M213-M264 HydrophobicContact CG-SD 3.74Å; M213-M264 HydrophobicContact SD-CG 4.43Å; M213-M264 HydrophobicContact SD-SD 4.39Å; L216-M264 HydrophobicContact CB-CE 4.12Å; C217-M264 HydrophobicContact CB-CE 3.97Å; A260-M264 WeakPolarHBondContact O-CB 3.25Å; A260-M264 PolarHBondContact O-N 3.19Å; M261-M264 PolarHBondContact O-N 2.66Å; M264-C293 HydrophobicContact SD-CB 3.59Å; M264-C293 VanDerWaalsContact SD-CB 3.59Å
265L96.3Very high93.9Very high68 Ų6857.4 Ų57.436%0.35630%0.298SS..THydrogen-bonded Turntrans-95.714-178.8-57.9-179.7000113.4M261 H263 I267 Y294M261-L265 HydrophobicContact CG-CD1 3.9Å; M261-L265 HydrophobicContact CG-CG 4.32Å; M261-L265 WeakPolarHBondContact O-CB 3.06Å; M261-L265 PolarHBondContact O-N 2.94Å; M261-L265 HydrophobicContact SD-CD1 4.46Å; H263-L265 VanDerWaalsContact C-N 3.3Å; H263-L265 PolarHBondContact O-N 3.3Å; L265-I267 VanDerWaalsContact C-N 3.33Å; L265-I267 HydrophobicContact CB-CD1 4.08Å; L265-I267 HydrophobicContact CB-CG1 4.11Å; L265-I267 PolarHBondContact O-N 3.01Å; L265-Y294 HydrophobicContact CD2-CD2 4.2Å; L265-Y294 HydrophobicContact CD2-CE2 4.48Å
266C95.8Very high93.8Very high84 Ų8456.1 Ų56.157%0.56829%0.294SS*.THydrogen-bonded Turntrans57.336.9175.9-57.60000114.9H263H263-C266 PolarHBondContact O-N 3.33Å
267I96.2Very high93.6Very high132 Ų13262.2 Ų62.268%0.67732%0.324SS*.  trans-92.5-48.4-178.1-55.9175.9000112.2S262 L265S262-I267 WeakPolarHBondContact O-CA 3.3Å; S262-I267 PolarHBondContact O-N 3.04Å; L265-I267 VanDerWaalsContact C-N 3.33Å; L265-I267 HydrophobicContact CB-CD1 4.08Å; L265-I267 HydrophobicContact CB-CG1 4.11Å; L265-I267 PolarHBondContact O-N 3.01Å
268G89.8Confident93.5Very high26 Ų2661.4 Ų61.427%0.26832%0.321SS..  trans159.2-168.1-17400000115.3S262 H263S262-G268 CarbonylContact C-O 3.6Å; S262-G268 WeakPolarHBondContact CB-O 3.42Å; S262-G268 PolarHBondContact O-N 2.97Å; S262-G268 VanDerWaalsContact O-N 3.09Å; S262-G268 PolarHBondContact OG-O 3.16Å; H263-G268 PolarHBondContact CD2-O 3.18Å
269Y85.6Confident93.3Very high106 Ų10656 Ų5642%0.41630%0.298SS..  trans-98.90.3-162.1-54.9-67.4000116.7H263 T283 M287H263-Y269 AromaticContact NE2-CD1 3.88Å; Y269-T283 HydrophobicContact CD1-CG2 3.62Å; Y269-T283 HydrophobicContact CE1-CG2 3.87Å; Y269-M287 HydrophobicContact CE1-CE 4.23Å; Y269-M287 HydrophobicContact CE1-SD 3.73Å
270G85.2Confident93.3Very high30 Ų3058.1 Ų58.131%0.30931%0.309SS..SBendtrans98.8-130.3-168.800000111.8
271R87.8Confident93.3Very high186 Ų18666.5 Ų66.570%0.70234%0.341SS*.SBendtrans-77.8-36-177-163.8-177.2-165.1120.80.9113.6N242 F255N242-R271 WeakPolarHBondContact OD1-CD 3.29Å; F255-R271 HydrophobicContact CZ-CB 4.11Å
272Q89.4Confident93.2Very high83 Ų8364 Ų6439%0.38833%0.328SS..SBendtrans-154.4169.5-179.357.1170.97300110.3E275Q272-E275 PolarHBondContact NE2-OE1 3.31Å
273A91.9Very high93.1Very high61 Ų6163.9 Ų63.950%0.50433%0.328SS..  trans-65.3150.6172.700000111.2E275A273-E275 PolarHBondContact O-N 2.92Å
274P93.2Very high93.1Very high33 Ų3367.7 Ų67.721%0.21435%0.347CS..  trans-67.6130.6176.428.6-35.3000111.3D279 I280 T283P274-D279 HydrophobicContact CB-CB 3.69Å; P274-I280 HydrophobicContact CB-CG1 3.93Å; P274-I280 HydrophobicContact CG-CG1 3.87Å; P274-T283 HydrophobicContact CG-CG2 4.18Å
275E91.3Very high93.1Very high109 Ų10971.7 Ų71.751%0.50937%0.368SS..  trans-96.4-45.8177.8-65.2-178.7-156.100111.6L241 Q272 A273L241-E275 HydrophobicContact CD1-CB 4.39Å; L241-E275 HydrophobicContact CD1-CG 4.34Å; Q272-E275 PolarHBondContact NE2-OE1 3.31Å; A273-E275 PolarHBondContact O-N 2.92Å
276S93Very high93.1Very high12 Ų1268.7 Ų68.78%0.08435%0.352CS..SBendtrans-68.5145.3178.4-159.60000113D236 S278 D279 I280D236-S276 WeakPolarHBondContact OD2-CA 3.49Å; D236-S276 WeakPolarHBondContact OD2-CB 3.49Å; D236-S276 PolarHBondContact OD2-OG 3.31Å; S276-S278 VanDerWaalsContact C-N 3.28Å; S276-S278 PolarHBondContact O-N 2.89Å; S276-S278 PolarHBondContact OG-OG 3.46Å; S276-D279 PolarHBondContact O-N 3.47Å; S276-I280 WeakPolarHBondContact O-CG1 3.37Å; S276-I280 PolarHBondContact O-N 3.25Å
277M94.1Very high93.2Very high128 Ų12868.1 Ų68.163%0.63134%0.342SS*.Hα-helixtrans-60.5-35178.3-65-62.3113.300112.8I280 W281M277-I280 HydrophobicContact CE-CD1 3.58Å; M277-I280 HydrophobicContact SD-CD1 4.32Å; M277-W281 PolarHBondContact O-N 3.09Å
278S93.7Very high93.3Very high22 Ų2267.1 Ų67.115%0.15434%0.337CS..Hα-helixtrans-64.8-48.3175.142.50000111.3Q231 S276 I280 W281 L282Q231-S278 PolarHBondContact OE1-OG 3.48Å; Q231-S278 VanDerWaalsContact OE1-OG 3.13Å; S276-S278 VanDerWaalsContact C-N 3.28Å; S276-S278 PolarHBondContact O-N 2.89Å; S276-S278 PolarHBondContact OG-OG 3.46Å; S278-I280 VanDerWaalsContact C-N 3.31Å; S278-I280 PolarHBondContact O-N 2.77Å; S278-W281 PolarHBondContact O-N 2.87Å; S278-L282 WeakPolarHBondContact O-CB 3.41Å; S278-L282 VanDerWaalsContact O-CG 3.28Å; S278-L282 WeakPolarHBondContact O-CG 3.28Å; S278-L282 PolarHBondContact O-N 2.91Å
279D94Very high93.6Very high1 Ų168.4 Ų68.41%0.00534%0.34CS..Hα-helixtrans-64-34.3178.8-76.1-5.7000112.4C237 W238 P274 S276 T283C237-D279 WeakPolarHBondContact CA-OD2 3.35Å; W238-D279 PolarHBondContact N-OD2 2.68Å; P274-D279 HydrophobicContact CB-CB 3.69Å; S276-D279 PolarHBondContact O-N 3.47Å; D279-T283 WeakPolarHBondContact O-CB 3.45Å; D279-T283 PolarHBondContact O-N 2.85Å; D279-T283 PolarHBondContact O-OG1 3.5Å
280I95.8Very high94.1Very high49 Ų4963.4 Ų63.425%0.25132%0.32SS..Hα-helixtrans-63.2-54.2174.3-69.9165.8000110.5P274 S276 M277 S278 L282 T283 M284P274-I280 HydrophobicContact CB-CG1 3.93Å; P274-I280 HydrophobicContact CG-CG1 3.87Å; S276-I280 WeakPolarHBondContact O-CG1 3.37Å; S276-I280 PolarHBondContact O-N 3.25Å; M277-I280 HydrophobicContact CE-CD1 3.58Å; M277-I280 HydrophobicContact SD-CD1 4.32Å; S278-I280 VanDerWaalsContact C-N 3.31Å; S278-I280 PolarHBondContact O-N 2.77Å; I280-L282 PolarHBondContact O-N 3.22Å; I280-T283 PolarHBondContact O-N 3.23Å; I280-M284 HydrophobicContact CG2-SD 4.02Å; I280-M284 WeakPolarHBondContact O-CG 3.21Å; I280-M284 PolarHBondContact O-N 2.99Å
281W96.8Very high94.7Very high177 Ų17764.2 Ų64.267%0.6732%0.324SS*.Hα-helixtrans-64-38.3-178.6-78.3111.7000112.8M277 S278 M284 L285M277-W281 PolarHBondContact O-N 3.09Å; S278-W281 PolarHBondContact O-N 2.87Å; W281-M284 HydrophobicContact CE3-SD 4.31Å; W281-M284 HydrophobicContact CZ3-CE 4.17Å; W281-M284 HydrophobicContact CZ3-SD 4.45Å; W281-M284 PolarHBondContact O-N 3.07Å; W281-L285 WeakPolarHBondContact O-CB 3.21Å; W281-L285 PolarHBondContact O-N 3.2Å
282L95.4Very high95.1Very high20 Ų2058.9 Ų58.911%0.10531%0.312CS..Hα-helixtrans-66-38.6174.1-70.6168.8000112.4L223 Q224 V227 S278 I280 S286L223-L282 HydrophobicContact CD2-CD2 4.23Å; L223-L282 HydrophobicContact CG-CD2 4.12Å; Q224-L282 PolarHBondContact NE2-O 3.29Å; V227-L282 HydrophobicContact CB-CD1 3.61Å; V227-L282 HydrophobicContact CG1-CD1 3.89Å; V227-L282 HydrophobicContact CG2-CD1 3.83Å; V227-L282 HydrophobicContact CG2-CD2 4.16Å; S278-L282 WeakPolarHBondContact O-CB 3.41Å; S278-L282 VanDerWaalsContact O-CG 3.28Å; S278-L282 WeakPolarHBondContact O-CG 3.28Å; S278-L282 PolarHBondContact O-N 2.91Å; I280-L282 PolarHBondContact O-N 3.22Å; L282-S286 WeakPolarHBondContact O-CB 3.09Å; L282-S286 PolarHBondContact O-N 3.01Å
283T96.3Very high95.4Very high3 Ų355.4 Ų55.42%0.01830%0.297CS..Hα-helixtrans-65.9-44.4175.5-64.10000110.7K259 Y269 P274 D279 I280 L285 S286 M287K259-T283 PolarHBondContact NZ-OG1 3.28Å; Y269-T283 HydrophobicContact CD1-CG2 3.62Å; Y269-T283 HydrophobicContact CE1-CG2 3.87Å; P274-T283 HydrophobicContact CG-CG2 4.18Å; D279-T283 WeakPolarHBondContact O-CB 3.45Å; D279-T283 PolarHBondContact O-N 2.85Å; D279-T283 PolarHBondContact O-OG1 3.5Å; I280-T283 PolarHBondContact O-N 3.23Å; T283-L285 PolarHBondContact O-N 2.85Å; T283-S286 PolarHBondContact O-N 3.34Å; T283-M287 HydrophobicContact CG2-SD 3.96Å; T283-M287 WeakPolarHBondContact O-CG 3.24Å; T283-M287 PolarHBondContact O-N 3.07Å
284M96.9Very high95.5Very high85 Ų8557 Ų5742%0.41929%0.291SS..Hα-helixtrans-61.3-44.2174.8-70.8176.164.800112.7I280 W281 M287 I288I280-M284 HydrophobicContact CG2-SD 4.02Å; I280-M284 WeakPolarHBondContact O-CG 3.21Å; I280-M284 PolarHBondContact O-N 2.99Å; W281-M284 HydrophobicContact CE3-SD 4.31Å; W281-M284 HydrophobicContact CZ3-CE 4.17Å; W281-M284 HydrophobicContact CZ3-SD 4.45Å; W281-M284 PolarHBondContact O-N 3.07Å; M284-M287 PolarHBondContact O-N 3.5Å; M284-I288 WeakPolarHBondContact O-CG1 3.13Å; M284-I288 PolarHBondContact O-N 3.31Å
285L96.9Very high95.7Very high91 Ų9158.5 Ų58.548%0.47631%0.305SS..Hα-helixtrans-60.5-48176.3177.161.6000111.4W281 T283 M287 I288 V289W281-L285 WeakPolarHBondContact O-CB 3.21Å; W281-L285 PolarHBondContact O-N 3.2Å; T283-L285 PolarHBondContact O-N 2.85Å; L285-M287 PolarHBondContact O-N 3.02Å; L285-I288 PolarHBondContact O-N 3.2Å; L285-V289 HydrophobicContact CD1-CG2 4.39Å; L285-V289 WeakPolarHBondContact O-CG2 3.49Å; L285-V289 PolarHBondContact O-N 3.04Å
286S97.1Very high95.8Very high4 Ų457.4 Ų57.43%0.02830%0.301CS..Hα-helixtrans-59-43176.8174.30000112.4D220 Q224 H263 L282 T283 I288 G290D220-S286 VanDerWaalsContact CG-OG 3.3Å; D220-S286 WeakPolarHBondContact OD1-CB 3.23Å; D220-S286 VanDerWaalsContact OD2-CB 3.27Å; D220-S286 WeakPolarHBondContact OD2-CB 3.44Å; D220-S286 PolarHBondContact OD2-OG 2.91Å; Q224-S286 VanDerWaalsContact NE2-CB 3.33Å; H263-S286 VanDerWaalsContact CB-OG 3.23Å; H263-S286 WeakPolarHBondContact CB-OG 3.42Å; H263-S286 WeakPolarHBondContact ND1-CB 3.27Å; H263-S286 PolarHBondContact ND1-OG 2.9Å; L282-S286 WeakPolarHBondContact O-CB 3.09Å; L282-S286 PolarHBondContact O-N 3.01Å; T283-S286 PolarHBondContact O-N 3.34Å; S286-I288 PolarHBondContact O-N 3.13Å; S286-G290 WeakPolarHBondContact O-CA 3.35Å; S286-G290 PolarHBondContact O-N 3.46Å
287M97.4Very high95.9Very high73 Ų7359.2 Ų59.236%0.3631%0.308SS..Hα-helixtrans-62.7-40.5175.1-70.5166.872.900112.7H263 Y269 T283 M284 L285 G290 A291H263-M287 HydrophobicContact CB-CG 4.25Å; Y269-M287 HydrophobicContact CE1-CE 4.23Å; Y269-M287 HydrophobicContact CE1-SD 3.73Å; T283-M287 HydrophobicContact CG2-SD 3.96Å; T283-M287 WeakPolarHBondContact O-CG 3.24Å; T283-M287 PolarHBondContact O-N 3.07Å; M284-M287 PolarHBondContact O-N 3.5Å; L285-M287 PolarHBondContact O-N 3.02Å; M287-G290 PolarHBondContact O-N 3.29Å; M287-A291 VanDerWaalsContact O-CB 3.31Å; M287-A291 WeakPolarHBondContact O-CB 3.41Å; M287-A291 PolarHBondContact O-N 2.84Å
288I97.7Very high95.9Very high110 Ų11056.7 Ų56.756%0.56430%0.296SS*.Hα-helixtrans-66.6-48.1178.8-68.8164.5000110.8M284 L285 S286 G290 T292M284-I288 WeakPolarHBondContact O-CG1 3.13Å; M284-I288 PolarHBondContact O-N 3.31Å; L285-I288 PolarHBondContact O-N 3.2Å; S286-I288 PolarHBondContact O-N 3.13Å; I288-G290 VanDerWaalsContact C-N 3.32Å; I288-T292 WeakPolarHBondContact O-CB 3.36Å; I288-T292 PolarHBondContact O-N 3.18Å; I288-T292 VanDerWaalsContact O-N 3.17Å; I288-T292 PolarHBondContact O-OG1 3.21Å
289V96.7Very high95.9Very high54 Ų5457.7 Ų57.733%0.32731%0.31SS..Hα-helixtrans-61-45.2175.2174.20000110L285 T292 C293L285-V289 HydrophobicContact CD1-CG2 4.39Å; L285-V289 WeakPolarHBondContact O-CG2 3.49Å; L285-V289 PolarHBondContact O-N 3.04Å; V289-T292 PolarHBondContact O-N 2.98Å; V289-C293 WeakPolarHBondContact O-CB 3.48Å; V289-C293 PolarHBondContact O-N 3.12Å; V289-C293 PolarHBondContact O-SG 3.39Å; V289-C293 VanDerWaalsContact O-SG 3.33Å
290G96.3Very high95.6Very high0 Ų060.3 Ų60.30%032%0.322CS..Hα-helixtrans-57.6-58.3-18000000113.8S286 M287 I288 T292 C293 Y294S286-G290 WeakPolarHBondContact O-CA 3.35Å; S286-G290 PolarHBondContact O-N 3.46Å; M287-G290 PolarHBondContact O-N 3.29Å; I288-G290 VanDerWaalsContact C-N 3.32Å; G290-T292 VanDerWaalsContact C-N 3.25Å; G290-T292 PolarHBondContact O-N 3.24Å; G290-C293 PolarHBondContact O-N 3.45Å; G290-Y294 WeakPolarHBondContact O-CB 3.19Å; G290-Y294 PolarHBondContact O-N 3.37Å
291A96.6Very high95.3Very high47 Ų4759 Ų5939%0.38832%0.318SS..Hα-helixtrans-59.6-36.6179.200000112.3M287 A295M287-A291 VanDerWaalsContact O-CB 3.31Å; M287-A291 WeakPolarHBondContact O-CB 3.41Å; M287-A291 PolarHBondContact O-N 2.84Å; A291-A295 VanDerWaalsContact O-CB 3.29Å; A291-A295 WeakPolarHBondContact O-CB 3.31Å; A291-A295 PolarHBondContact O-N 3.49Å
292T96.5Very high95Very high75 Ų7553.7 Ų53.746%0.4631%0.305SS..Hα-helixtrans-66.5-47.4176.7-54.20000111.3I288 V289 G290 A295 M296I288-T292 WeakPolarHBondContact O-CB 3.36Å; I288-T292 PolarHBondContact O-N 3.18Å; I288-T292 VanDerWaalsContact O-N 3.17Å; I288-T292 PolarHBondContact O-OG1 3.21Å; V289-T292 PolarHBondContact O-N 2.98Å; G290-T292 VanDerWaalsContact C-N 3.25Å; G290-T292 PolarHBondContact O-N 3.24Å; T292-A295 PolarHBondContact O-N 2.83Å; T292-M296 HydrophobicContact CG2-CE 4.31Å; T292-M296 WeakPolarHBondContact O-CG 3.42Å; T292-M296 PolarHBondContact O-N 3.39Å
293C94.9Very high94.6Very high10 Ų1054.5 Ų54.57%0.06832%0.315CS..Hα-helixtrans-61.4-43.6175.8-73.40000112.3M213 M264 V289 G290 M296 F297M213-C293 HydrophobicContact CG-CB 4.4Å; M264-C293 HydrophobicContact SD-CB 3.59Å; M264-C293 VanDerWaalsContact SD-CB 3.59Å; V289-C293 WeakPolarHBondContact O-CB 3.48Å; V289-C293 PolarHBondContact O-N 3.12Å; V289-C293 PolarHBondContact O-SG 3.39Å; V289-C293 VanDerWaalsContact O-SG 3.33Å; G290-C293 PolarHBondContact O-N 3.45Å; C293-M296 PolarHBondContact O-N 3.16Å; C293-F297 PolarHBondContact O-N 3.31Å
294Y95.8Very high94.1Very high95 Ų9555.6 Ų55.637%0.37332%0.32SS..Hα-helixtrans-65.8-41.2178.2-172.5-109.2000112.2L265 G290 M296 F297 I298L265-Y294 HydrophobicContact CD2-CD2 4.2Å; L265-Y294 HydrophobicContact CD2-CE2 4.48Å; G290-Y294 WeakPolarHBondContact O-CB 3.19Å; G290-Y294 PolarHBondContact O-N 3.37Å; Y294-M296 PolarHBondContact O-N 3.14Å; Y294-F297 HydrophobicContact CE2-CD1 4.45Å; Y294-F297 WeakPolarHBondContact O-CB 3.39Å; Y294-F297 PolarHBondContact O-N 3.47Å; Y294-I298 HydrophobicContact CD1-CG1 4.44Å; Y294-I298 HydrophobicContact CE1-CD1 4.42Å; Y294-I298 HydrophobicContact CE1-CG1 4.08Å; Y294-I298 HydrophobicContact CE2-CD1 4.45Å; Y294-I298 WeakPolarHBondContact O-CG1 3.39Å; Y294-I298 PolarHBondContact O-N 2.96Å
295A96.4Very high93.5Very high63 Ų6357.3 Ų57.352%0.52133%0.33SS..Hα-helixtrans-61.5-43174.300000112.2A291 T292 I298 G299A291-A295 VanDerWaalsContact O-CB 3.29Å; A291-A295 WeakPolarHBondContact O-CB 3.31Å; A291-A295 PolarHBondContact O-N 3.49Å; T292-A295 PolarHBondContact O-N 2.83Å; A295-I298 PolarHBondContact O-N 3.07Å; A295-G299 PolarHBondContact O-N 3.32Å
296M93.3Very high93Very high87 Ų8758.3 Ų58.343%0.42933%0.333SS..Hα-helixtrans-61.4-43.2173.1-70.1-172.7-63.900111.6T292 C293 Y294 I298 G299 H300T292-M296 HydrophobicContact CG2-CE 4.31Å; T292-M296 WeakPolarHBondContact O-CG 3.42Å; T292-M296 PolarHBondContact O-N 3.39Å; C293-M296 PolarHBondContact O-N 3.16Å; Y294-M296 PolarHBondContact O-N 3.14Å; M296-I298 PolarHBondContact O-N 2.86Å; M296-G299 PolarHBondContact O-N 3.3Å; M296-H300 PolarHBondContact O-CD2 2.79Å; M296-H300 VanDerWaalsContact O-CD2 3.25Å; M296-H300 PolarHBondContact O-N 3.34Å
297F94.9Very high92.2Very high49 Ų4960.8 Ų60.822%0.21535%0.35CS..Hα-helixtrans-56.9-47.8176.1173.7-99.3000112.5I206 L209 I210 C293 Y294 G299 H300 A301I206-F297 HydrophobicContact CD1-CE2 4.2Å; I206-F297 HydrophobicContact CG1-CE2 4.34Å; L209-F297 HydrophobicContact CD2-CB 4.33Å; I210-F297 HydrophobicContact CD1-CE2 4.21Å; I210-F297 HydrophobicContact CG1-CD2 4.31Å; I210-F297 HydrophobicContact CG1-CE2 3.95Å; C293-F297 PolarHBondContact O-N 3.31Å; Y294-F297 HydrophobicContact CE2-CD1 4.45Å; Y294-F297 WeakPolarHBondContact O-CB 3.39Å; Y294-F297 PolarHBondContact O-N 3.47Å; F297-G299 VanDerWaalsContact C-N 3.33Å; F297-G299 PolarHBondContact O-N 2.97Å; F297-H300 PolarHBondContact O-N 2.85Å; F297-A301 VanDerWaalsContact O-CB 3.3Å; F297-A301 WeakPolarHBondContact O-CB 3.4Å; F297-A301 PolarHBondContact O-N 2.8Å
298I94.8Very high91.4Very high76 Ų7663 Ų6339%0.3936%0.363SS..Hα-helixtrans-61.9-39.9176.5-64.7-61.4000111.8Y294 A295 M296 T302Y294-I298 HydrophobicContact CD1-CG1 4.44Å; Y294-I298 HydrophobicContact CE1-CD1 4.42Å; Y294-I298 HydrophobicContact CE1-CG1 4.08Å; Y294-I298 HydrophobicContact CE2-CD1 4.45Å; Y294-I298 WeakPolarHBondContact O-CG1 3.39Å; Y294-I298 PolarHBondContact O-N 2.96Å; A295-I298 PolarHBondContact O-N 3.07Å; M296-I298 PolarHBondContact O-N 2.86Å; I298-T302 WeakPolarHBondContact O-CB 3.42Å; I298-T302 PolarHBondContact O-N 3.25Å; I298-T302 PolarHBondContact O-OG1 3.31Å
299G92.6Very high90.5Very high42 Ų4261 Ų6143%0.43335%0.353SS..Hα-helixtrans-61.6-49175.300000112.9A295 M296 F297 T302 A303A295-G299 PolarHBondContact O-N 3.32Å; M296-G299 PolarHBondContact O-N 3.3Å; F297-G299 VanDerWaalsContact C-N 3.33Å; F297-G299 PolarHBondContact O-N 2.97Å; G299-T302 PolarHBondContact O-N 3.2Å; G299-A303 PolarHBondContact O-N 2.99Å
300H88.7Confident89.9Confident57 Ų5761.5 Ų61.526%0.26436%0.359SS..Hα-helixtrans-67.3-38.6178.3-80.2-81.8000113R205 L209 M296 F297 A303 L304R205-H300 PolarHBondContact NE-ND1 2.9Å; L209-H300 HydrophobicContact CD2-CB 3.67Å; L209-H300 VanDerWaalsContact CD2-CD2 3.44Å; L209-H300 WeakPolarHBondContact CD2-CD2 3.13Å; M296-H300 PolarHBondContact O-CD2 2.79Å; M296-H300 VanDerWaalsContact O-CD2 3.25Å; M296-H300 PolarHBondContact O-N 3.34Å; F297-H300 PolarHBondContact O-N 2.85Å; H300-A303 PolarHBondContact O-N 3.49Å; H300-L304 PolarHBondContact O-N 3.46Å
301A90Very high89.4Confident20 Ų2062.5 Ų62.517%0.16537%0.366CS..Hα-helixtrans-62.7-42.3174.300000111.5I206 F297 L304 I305I206-A301 HydrophobicContact CD1-CB 4.17Å; F297-A301 VanDerWaalsContact O-CB 3.3Å; F297-A301 WeakPolarHBondContact O-CB 3.4Å; F297-A301 PolarHBondContact O-N 2.8Å; A301-L304 PolarHBondContact O-N 3.47Å; A301-I305 VanDerWaalsContact O-CG1 3.29Å; A301-I305 WeakPolarHBondContact O-CG1 3.3Å; A301-I305 PolarHBondContact O-N 2.92Å
302T90.3Very high89Confident66 Ų6666.4 Ų66.441%0.40537%0.37SS..Hα-helixtrans-64.1-44176.9-61.20000111.4I298 G299 L304 I305 Q306I298-T302 WeakPolarHBondContact O-CB 3.42Å; I298-T302 PolarHBondContact O-N 3.25Å; I298-T302 PolarHBondContact O-OG1 3.31Å; G299-T302 PolarHBondContact O-N 3.2Å; T302-L304 VanDerWaalsContact C-N 3.35Å; T302-L304 PolarHBondContact O-N 2.89Å; T302-I305 PolarHBondContact O-N 3Å; T302-Q306 WeakPolarHBondContact O-CG 3.44Å; T302-Q306 PolarHBondContact O-N 3.28Å
303A86.4Confident88.6Confident38 Ų3868.1 Ų68.131%0.31437%0.368SS..Hα-helixtrans-61.9-40.1175.400000112.4G299 H300 Q306 S307G299-A303 PolarHBondContact O-N 2.99Å; H300-A303 PolarHBondContact O-N 3.49Å; A303-Q306 PolarHBondContact O-N 2.92Å; A303-S307 PolarHBondContact O-N 3.08Å; A303-S307 VanDerWaalsContact O-N 3.13Å
304L85.4Confident88.4Confident25 Ų2572.7 Ų72.713%0.13139%0.389CS..Hα-helixtrans-61.8-50.3174.6176.661.8000111.3A202 V203 I206 H300 A301 T302 Q306 S307 L308A202-L304 HydrophobicContact CB-CD1 3.74Å; V203-L304 HydrophobicContact CG2-CD1 4.07Å; I206-L304 HydrophobicContact CD1-CD2 4.13Å; I206-L304 HydrophobicContact CG2-CD2 3.83Å; H300-L304 PolarHBondContact O-N 3.46Å; A301-L304 PolarHBondContact O-N 3.47Å; T302-L304 VanDerWaalsContact C-N 3.35Å; T302-L304 PolarHBondContact O-N 2.89Å; L304-Q306 VanDerWaalsContact C-N 3.27Å; L304-Q306 PolarHBondContact O-N 3.41Å; L304-S307 PolarHBondContact O-N 3.03Å; L304-S307 PolarHBondContact O-OG 2.82Å; L304-L308 HydrophobicContact CD1-CD1 4.27Å; L304-L308 HydrophobicContact CD1-CD2 4.36Å; L304-L308 HydrophobicContact CD1-CG 4.11Å; L304-L308 HydrophobicContact CG-CD1 4.13Å; L304-L308 HydrophobicContact CG-CG 4.42Å; L304-L308 WeakPolarHBondContact O-CG 3.42Å; L304-L308 PolarHBondContact O-N 3.19Å; L304-L308 VanDerWaalsContact O-N 3.13Å
305I85.9Confident88.3Confident122 Ų12269.4 Ų69.463%0.62638%0.376SS*.Hα-helixtrans-56.7-41.7178.6-68.5164.3000111.1A301 T302 S307A301-I305 VanDerWaalsContact O-CG1 3.29Å; A301-I305 WeakPolarHBondContact O-CG1 3.3Å; A301-I305 PolarHBondContact O-N 2.92Å; T302-I305 PolarHBondContact O-N 3Å; I305-S307 VanDerWaalsContact C-N 3.3Å; I305-S307 PolarHBondContact O-N 3.31Å
306Q84.4Confident88.2Confident112 Ų11270.6 Ų70.652%0.52337%0.371SS..Hα-helixtrans-66.8-28.6176.9-71.2-178.710.300113.7T302 A303 L304T302-Q306 WeakPolarHBondContact O-CG 3.44Å; T302-Q306 PolarHBondContact O-N 3.28Å; A303-Q306 PolarHBondContact O-N 2.92Å; L304-Q306 VanDerWaalsContact C-N 3.27Å; L304-Q306 PolarHBondContact O-N 3.41Å
307S80.8Confident88.2Confident56 Ų5670.4 Ų70.439%0.39237%0.369SS..Hα-helixtrans-81.9-29.4-179.3710000114.3A303 L304 I305 D309A303-S307 PolarHBondContact O-N 3.08Å; A303-S307 VanDerWaalsContact O-N 3.13Å; L304-S307 PolarHBondContact O-N 3.03Å; L304-S307 PolarHBondContact O-OG 2.82Å; I305-S307 VanDerWaalsContact C-N 3.3Å; I305-S307 PolarHBondContact O-N 3.31Å; S307-D309 VanDerWaalsContact C-N 3.34Å; S307-D309 PolarHBondContact O-N 2.89Å
308L81.2Confident88.2Confident120 Ų12072.1 Ų72.163%0.62838%0.376SS*.Hα-helixtrans-68.6-25-171.5-76.9170.9000114.7L304L304-L308 HydrophobicContact CD1-CD1 4.27Å; L304-L308 HydrophobicContact CD1-CD2 4.36Å; L304-L308 HydrophobicContact CD1-CG 4.11Å; L304-L308 HydrophobicContact CG-CD1 4.13Å; L304-L308 HydrophobicContact CG-CG 4.42Å; L304-L308 WeakPolarHBondContact O-CG 3.42Å; L304-L308 PolarHBondContact O-N 3.19Å; L304-L308 VanDerWaalsContact O-N 3.13Å
309D79.1Confident88.3Confident66 Ų6669.9 Ų69.935%0.35336%0.363SS..THydrogen-bonded Turntrans-129.943.8-176.6-154.35.4000112.7S307 S311 R312 R313S307-D309 VanDerWaalsContact C-N 3.34Å; S307-D309 PolarHBondContact O-N 2.89Å; D309-S311 PolarHBondContact O-N 2.95Å; D309-R312 PolarHBondContact O-N 3.45Å; D309-R312 WeakPolarHBondContact OD1-CB 3.43Å; D309-R312 WeakPolarHBondContact OD2-CD 3.43Å; D309-R312 IonicContact OD2-NH1 2.92Å; D309-R312 PolarHBondContact OD2-NH1 3.48Å; D309-R313 VanDerWaalsContact O-CB 3.28Å; D309-R313 WeakPolarHBondContact O-CB 3.44Å; D309-R313 PolarHBondContact O-N 2.92Å
310S83.6Confident88.5Confident66 Ų6673.4 Ų73.446%0.46237%0.366SS..Hα-helixtrans-55.9-50.4-17758.80000113.6R312 R313 Q314S310-R312 PolarHBondContact O-N 3.35Å; S310-R313 WeakPolarHBondContact O-CB 3.35Å; S310-R313 PolarHBondContact O-N 3.42Å; S310-Q314 WeakPolarHBondContact O-CG 3.22Å; S310-Q314 PolarHBondContact O-N 2.96Å
311S85.9Confident88.9Confident21 Ų2175.7 Ų75.715%0.14738%0.377CS..Hα-helixtrans-64.6-35.3-177.562.40000114.1D309 Y315 M351D309-S311 PolarHBondContact O-N 2.95Å; S311-Y315 PolarHBondContact O-N 2.83Å; S311-Y315 VanDerWaalsContact O-N 3.1Å; S311-M351 PolarHBondContact O-N 2.93Å
312R88.9Confident89.3Confident128 Ų12875.6 Ų75.648%0.48338%0.375SS..Hα-helixtrans-77.4-36.1175.3-165.9-168.2-169-179.10.7111.4D309 S310 Y315 Q316D309-R312 PolarHBondContact O-N 3.45Å; D309-R312 WeakPolarHBondContact OD1-CB 3.43Å; D309-R312 WeakPolarHBondContact OD2-CD 3.43Å; D309-R312 IonicContact OD2-NH1 2.92Å; D309-R312 PolarHBondContact OD2-NH1 3.48Å; S310-R312 PolarHBondContact O-N 3.35Å; R312-Y315 WeakPolarHBondContact O-CB 3.5Å; R312-Y315 PolarHBondContact O-N 3.33Å; R312-Q316 WeakPolarHBondContact O-CG 3.33Å; R312-Q316 PolarHBondContact O-N 2.91Å
313R88.3Confident89.6Confident111 Ų11176.7 Ų76.742%0.41938%0.375SS..Hα-helixtrans-60.1-47.2172178.9178.6170.8178.7-3.9110.8D309 S310 Y315 Q316 E317D309-R313 VanDerWaalsContact O-CB 3.28Å; D309-R313 WeakPolarHBondContact O-CB 3.44Å; D309-R313 PolarHBondContact O-N 2.92Å; S310-R313 WeakPolarHBondContact O-CB 3.35Å; S310-R313 PolarHBondContact O-N 3.42Å; R313-Y315 PolarHBondContact O-N 2.61Å; R313-Q316 PolarHBondContact O-N 2.82Å; R313-E317 HydrophobicContact CG-CG 4.39Å; R313-E317 IonicContact CZ-OE1 3.82Å; R313-E317 VanDerWaalsContact CZ-OE1 3.32Å; R313-E317 IonicContact NE-OE1 2.65Å; R313-E317 PolarHBondContact NE-OE1 3.02Å; R313-E317 IonicContact NH2-OE1 2.71Å; R313-E317 PolarHBondContact NH2-OE1 3.37Å; R313-E317 WeakPolarHBondContact O-CB 3.32Å; R313-E317 WeakPolarHBondContact O-CG 3.15Å; R313-E317 PolarHBondContact O-N 3.09Å
314Q89.9Confident90.1Very high107 Ų10781.4 Ų81.450%0.539%0.391SS..Hα-helixtrans-58.2-45173.9-75.3172.7-21.700111.9S310 Q316 E317 K318S310-Q314 WeakPolarHBondContact O-CG 3.22Å; S310-Q314 PolarHBondContact O-N 2.96Å; Q314-Q316 PolarHBondContact O-N 2.72Å; Q314-E317 PolarHBondContact O-N 3.08Å; Q314-K318 WeakPolarHBondContact O-CB 3.42Å; Q314-K318 PolarHBondContact O-N 2.87Å
315Y94.1Very high90.7Very high26 Ų2686.9 Ų86.910%0.10241%0.411CS..Hα-helixtrans-57.5-47.8173.2172.4-98.7000112.3S311 R312 R313 K318 Y319 Y343 Y347 M351S311-Y315 PolarHBondContact O-N 2.83Å; S311-Y315 VanDerWaalsContact O-N 3.1Å; R312-Y315 WeakPolarHBondContact O-CB 3.5Å; R312-Y315 PolarHBondContact O-N 3.33Å; R313-Y315 PolarHBondContact O-N 2.61Å; Y315-K318 PolarHBondContact O-N 3.15Å; Y315-Y319 VanDerWaalsContact O-CB 3.24Å; Y315-Y319 WeakPolarHBondContact O-CB 3.42Å; Y315-Y319 PolarHBondContact O-N 2.95Å; Y315-Y343 HydrophobicContact CE2-CD1 4.46Å; Y315-Y347 HydrophobicContact CD2-CG 4.43Å; Y315-Y347 HydrophobicContact CE2-CD2 4.43Å; Y315-Y347 HydrophobicContact CE2-CG 4.38Å; Y315-M351 HydrophobicContact CD2-CB 4.46Å
316Q93.1Very high91.3Very high88 Ų8881.3 Ų81.341%0.41138%0.382SS..Hα-helixtrans-65.4-41.4178.9-72.4178.212.700112.8R312 R313 Q314 Y319 K320R312-Q316 WeakPolarHBondContact O-CG 3.33Å; R312-Q316 PolarHBondContact O-N 2.91Å; R313-Q316 PolarHBondContact O-N 2.82Å; Q314-Q316 PolarHBondContact O-N 2.72Å; Q316-Y319 PolarHBondContact O-N 3.37Å; Q316-K320 WeakPolarHBondContact O-CB 3.45Å; Q316-K320 VanDerWaalsContact O-CG 3.28Å; Q316-K320 WeakPolarHBondContact O-CG 3.27Å; Q316-K320 PolarHBondContact O-N 2.73Å
317E94.2Very high91.9Very high83 Ų8379.3 Ų79.339%0.38838%0.38SS..Hα-helixtrans-64.8-42.7176.6-74.3176176.300110.9R313 Q314 Q321R313-E317 HydrophobicContact CG-CG 4.39Å; R313-E317 IonicContact CZ-OE1 3.82Å; R313-E317 VanDerWaalsContact CZ-OE1 3.32Å; R313-E317 IonicContact NE-OE1 2.65Å; R313-E317 PolarHBondContact NE-OE1 3.02Å; R313-E317 IonicContact NH2-OE1 2.71Å; R313-E317 PolarHBondContact NH2-OE1 3.37Å; R313-E317 WeakPolarHBondContact O-CB 3.32Å; R313-E317 WeakPolarHBondContact O-CG 3.15Å; R313-E317 PolarHBondContact O-N 3.09Å; Q314-E317 PolarHBondContact O-N 3.08Å; E317-Q321 WeakPolarHBondContact O-CG 3.28Å; E317-Q321 PolarHBondContact O-N 3.4Å
318K94.8Very high92.7Very high85 Ų8584.4 Ų84.437%0.3740%0.396SS..Hα-helixtrans-65.2-45.5174.4-169.969.9179.8174.60112Q314 Y315 K320 Q321 V322 M351Q314-K318 WeakPolarHBondContact O-CB 3.42Å; Q314-K318 PolarHBondContact O-N 2.87Å; Y315-K318 PolarHBondContact O-N 3.15Å; K318-K320 VanDerWaalsContact C-N 3.33Å; K318-K320 PolarHBondContact O-N 3.16Å; K318-Q321 WeakPolarHBondContact O-CB 3.32Å; K318-Q321 PolarHBondContact O-N 3.39Å; K318-Q321 VanDerWaalsContact O-N 3.09Å; K318-V322 PolarHBondContact O-N 3.39Å; K318-V322 VanDerWaalsContact O-N 3.15Å; K318-M351 HydrophobicContact CB-SD 3.65Å; K318-M351 HydrophobicContact CD-CE 4.36Å; K318-M351 HydrophobicContact CD-SD 4.4Å; K318-M351 HydrophobicContact CG-CE 4.04Å; K318-M351 HydrophobicContact CG-SD 3.63Å
319Y96.1Very high93.6Very high28 Ų2883.1 Ų83.111%0.1139%0.386CS..Hα-helixtrans-64.4-37-179.6-176.9-101.5000111.8Y315 Q316 Q321 V322 E323 H340 Y343Y315-Y319 VanDerWaalsContact O-CB 3.24Å; Y315-Y319 WeakPolarHBondContact O-CB 3.42Å; Y315-Y319 PolarHBondContact O-N 2.95Å; Q316-Y319 PolarHBondContact O-N 3.37Å; Y319-Q321 VanDerWaalsContact C-N 3.32Å; Y319-Q321 PolarHBondContact O-N 3.11Å; Y319-V322 CarbonylContact O-C 3.53Å; Y319-V322 WeakPolarHBondContact O-CA 3.46Å; Y319-V322 WeakPolarHBondContact O-CB 3.35Å; Y319-V322 PolarHBondContact O-N 2.99Å; Y319-E323 HydrophobicContact CD1-CG 4.14Å; Y319-E323 HydrophobicContact CE1-CG 3.59Å; Y319-E323 WeakPolarHBondContact CE1-OE1 3.36Å; Y319-E323 PolarHBondContact O-N 3.42Å; Y319-H340 AromaticContact CE1-ND1 3.96Å; Y319-H340 AromaticContact CE2-ND1 3.95Å; Y319-H340 AromaticContact CZ-ND1 3.35Å; Y319-H340 VanDerWaalsContact CZ-ND1 3.35Å; Y319-H340 PolarHBondContact OH-ND1 2.79Å; Y319-Y343 HydrophobicContact CD2-CD1 4.26Å; Y319-Y343 HydrophobicContact CD2-CG 4.06Å; Y319-Y343 HydrophobicContact CE2-CG 4.44Å
320K96.8Very high94.4Very high116 Ų11688.3 Ų88.350%0.50441%0.406SS..Hα-helixtrans-59.1-38.2170.2-77.9170.7179.4174.40113.2Q316 K318 V322 E323 Q324Q316-K320 WeakPolarHBondContact O-CB 3.45Å; Q316-K320 VanDerWaalsContact O-CG 3.28Å; Q316-K320 WeakPolarHBondContact O-CG 3.27Å; Q316-K320 PolarHBondContact O-N 2.73Å; K318-K320 VanDerWaalsContact C-N 3.33Å; K318-K320 PolarHBondContact O-N 3.16Å; K320-V322 VanDerWaalsContact C-N 3.3Å; K320-V322 PolarHBondContact O-N 3.49Å; K320-E323 PolarHBondContact O-N 2.87Å; K320-Q324 VanDerWaalsContact O-CG 3.31Å; K320-Q324 WeakPolarHBondContact O-CG 3.49Å; K320-Q324 PolarHBondContact O-N 3.1Å
321Q97.8Very high95.1Very high105 Ų10586.9 Ų86.949%0.49139%0.393SS..Hα-helixtrans-63.5-37.6173-64.1170.66.100111.3E317 K318 Y319 Q324 Y325E317-Q321 WeakPolarHBondContact O-CG 3.28Å; E317-Q321 PolarHBondContact O-N 3.4Å; K318-Q321 WeakPolarHBondContact O-CB 3.32Å; K318-Q321 PolarHBondContact O-N 3.39Å; K318-Q321 VanDerWaalsContact O-N 3.09Å; Y319-Q321 VanDerWaalsContact C-N 3.32Å; Y319-Q321 PolarHBondContact O-N 3.11Å; Q321-Q324 PolarHBondContact O-N 2.94Å; Q321-Y325 WeakPolarHBondContact O-CB 3.11Å; Q321-Y325 PolarHBondContact O-N 3.27Å
322V97.5Very high95.7Very high19 Ų1990 Ų9012%0.11541%0.412CS..Hα-helixtrans-65.1-45.7174.8-178.70000110.5K318 Y319 K320 Q324 Y325 M326 I339 Y343K318-V322 PolarHBondContact O-N 3.39Å; K318-V322 VanDerWaalsContact O-N 3.15Å; Y319-V322 CarbonylContact O-C 3.53Å; Y319-V322 WeakPolarHBondContact O-CA 3.46Å; Y319-V322 WeakPolarHBondContact O-CB 3.35Å; Y319-V322 PolarHBondContact O-N 2.99Å; K320-V322 VanDerWaalsContact C-N 3.3Å; K320-V322 PolarHBondContact O-N 3.49Å; V322-Q324 VanDerWaalsContact C-N 3.34Å; V322-Q324 PolarHBondContact O-N 3.4Å; V322-Y325 WeakPolarHBondContact O-CB 3.47Å; V322-Y325 PolarHBondContact O-N 3.38Å; V322-M326 HydrophobicContact CG1-CE 4.27Å; V322-M326 HydrophobicContact CG1-CG 4.32Å; V322-M326 HydrophobicContact CG1-SD 4.45Å; V322-M326 VanDerWaalsContact O-CG 3.27Å; V322-M326 WeakPolarHBondContact O-CG 3.13Å; V322-M326 PolarHBondContact O-N 3.02Å; V322-I339 HydrophobicContact CG1-CG2 3.8Å; V322-Y343 HydrophobicContact CG1-CE2 4.03Å; V322-Y343 HydrophobicContact CG2-CE1 4.08Å; V322-Y343 HydrophobicContact CG2-CE2 4.05Å; V322-Y343 WeakPolarHBondContact CG2-OH 3.38Å
323E96.9Very high96.1Very high88 Ų8887.4 Ų87.441%0.41142%0.418SS..Hα-helixtrans-59.2-42.8175-67.8-174.6135.500112.7Y319 K320 M326 S327Y319-E323 HydrophobicContact CD1-CG 4.14Å; Y319-E323 HydrophobicContact CE1-CG 3.59Å; Y319-E323 WeakPolarHBondContact CE1-OE1 3.36Å; Y319-E323 PolarHBondContact O-N 3.42Å; K320-E323 PolarHBondContact O-N 2.87Å; E323-M326 HydrophobicContact CB-CE 4.47Å; E323-M326 HydrophobicContact CG-CE 4.06Å; E323-M326 PolarHBondContact O-N 2.91Å; E323-S327 VanDerWaalsContact O-CB 3.28Å; E323-S327 WeakPolarHBondContact O-CB 3.41Å; E323-S327 PolarHBondContact O-N 2.92Å
324Q97.8Very high96.4Very high138 Ų13888.7 Ų88.765%0.64543%0.434SS*.Hα-helixtrans-60.5-44.4174.3-73.8173.4-11.500111.7K320 Q321 V322 S327 F328K320-Q324 VanDerWaalsContact O-CG 3.31Å; K320-Q324 WeakPolarHBondContact O-CG 3.49Å; K320-Q324 PolarHBondContact O-N 3.1Å; Q321-Q324 PolarHBondContact O-N 2.94Å; V322-Q324 VanDerWaalsContact C-N 3.34Å; V322-Q324 PolarHBondContact O-N 3.4Å; Q324-S327 PolarHBondContact O-N 3.07Å; Q324-F328 WeakPolarHBondContact O-CB 3.23Å; Q324-F328 PolarHBondContact O-N 3.39Å
325Y98.2Very high96.7Very high140 Ų14088.6 Ų88.655%0.54943%0.432SS..Hα-helixtrans-61-47.8174.9177.7-91000112.1Q321 V322 S327 F328 H329Q321-Y325 WeakPolarHBondContact O-CB 3.11Å; Q321-Y325 PolarHBondContact O-N 3.27Å; V322-Y325 WeakPolarHBondContact O-CB 3.47Å; V322-Y325 PolarHBondContact O-N 3.38Å; Y325-S327 VanDerWaalsContact C-N 3.28Å; Y325-S327 PolarHBondContact O-N 3.33Å; Y325-F328 PolarHBondContact O-N 3.33Å; Y325-H329 AromaticContact CD2-CD2 3.65Å; Y325-H329 AromaticContact CD2-NE2 3.83Å; Y325-H329 AromaticContact CE1-CD2 3.84Å; Y325-H329 AromaticContact CE2-CD2 3.36Å; Y325-H329 WeakPolarHBondContact CE2-CD2 3.5Å; Y325-H329 AromaticContact CE2-NE2 3.28Å; Y325-H329 VanDerWaalsContact CE2-NE2 3.28Å; Y325-H329 WeakPolarHBondContact CE2-NE2 3.42Å; Y325-H329 AromaticContact CZ-CD2 3.46Å; Y325-H329 VanDerWaalsContact CZ-CD2 3.46Å; Y325-H329 AromaticContact CZ-NE2 3.67Å; Y325-H329 PolarHBondContact O-CD2 2.84Å; Y325-H329 PolarHBondContact O-N 3Å
326M97.9Very high96.9Very high5 Ų591.5 Ų91.53%0.02544%0.443CS..Hα-helixtrans-61.6-36.1177-65.9-166.7-70.200112.5V322 E323 K330 L331 R336 I339V322-M326 HydrophobicContact CG1-CE 4.27Å; V322-M326 HydrophobicContact CG1-CG 4.32Å; V322-M326 HydrophobicContact CG1-SD 4.45Å; V322-M326 VanDerWaalsContact O-CG 3.27Å; V322-M326 WeakPolarHBondContact O-CG 3.13Å; V322-M326 PolarHBondContact O-N 3.02Å; E323-M326 HydrophobicContact CB-CE 4.47Å; E323-M326 HydrophobicContact CG-CE 4.06Å; E323-M326 PolarHBondContact O-N 2.91Å; M326-K330 PolarHBondContact O-N 2.84Å; M326-L331 HydrophobicContact CB-CD1 4.01Å; M326-L331 HydrophobicContact CB-CG 4.45Å; M326-L331 HydrophobicContact CG-CD1 3.82Å; M326-L331 PolarHBondContact O-N 3.22Å; M326-R336 HydrophobicContact CB-CG 4.19Å; M326-R336 HydrophobicContact CE-CB 4.29Å; M326-R336 HydrophobicContact CE-CG 4.48Å; M326-R336 HydrophobicContact SD-CB 3.88Å; M326-R336 HydrophobicContact SD-CG 3.84Å; M326-I339 HydrophobicContact CE-CG2 4.38Å; M326-I339 HydrophobicContact CG-CD1 4.12Å; M326-I339 HydrophobicContact SD-CB 3.76Å; M326-I339 HydrophobicContact SD-CD1 3.6Å; M326-I339 HydrophobicContact SD-CG1 4.28Å; M326-I339 HydrophobicContact SD-CG2 3.69Å
327S97.5Very high97Very high69 Ų6992.2 Ų92.248%0.48345%0.446SS..Hα-helixtrans-70.9-47.6177.4-166.30000111.9E323 Q324 Y325 H329 K330E323-S327 VanDerWaalsContact O-CB 3.28Å; E323-S327 WeakPolarHBondContact O-CB 3.41Å; E323-S327 PolarHBondContact O-N 2.92Å; Q324-S327 PolarHBondContact O-N 3.07Å; Y325-S327 VanDerWaalsContact C-N 3.28Å; Y325-S327 PolarHBondContact O-N 3.33Å; S327-H329 PolarHBondContact O-N 3.36Å; S327-K330 WeakPolarHBondContact O-CA 3.28Å; S327-K330 PolarHBondContact O-N 3.08Å
328F98.1Very high97.2Very high164 Ų16491.7 Ų91.772%0.71944%0.442SS*.Hα-helixtrans-58-46.3177.2176.7-101.9000112.1Q324 Y325 K330Q324-F328 WeakPolarHBondContact O-CB 3.23Å; Q324-F328 PolarHBondContact O-N 3.39Å; Y325-F328 PolarHBondContact O-N 3.33Å; F328-K330 PolarHBondContact O-N 3.41Å
329H98.3Very high97.3Very high92 Ų9289.1 Ų89.143%0.42643%0.433SS..THydrogen-bonded Turntrans-78.93.6175.4-71.5-69.7000114.4Y325 S327 L331Y325-H329 AromaticContact CD2-CD2 3.65Å; Y325-H329 AromaticContact CD2-NE2 3.83Å; Y325-H329 AromaticContact CE1-CD2 3.84Å; Y325-H329 AromaticContact CE2-CD2 3.36Å; Y325-H329 WeakPolarHBondContact CE2-CD2 3.5Å; Y325-H329 AromaticContact CE2-NE2 3.28Å; Y325-H329 VanDerWaalsContact CE2-NE2 3.28Å; Y325-H329 WeakPolarHBondContact CE2-NE2 3.42Å; Y325-H329 AromaticContact CZ-CD2 3.46Å; Y325-H329 VanDerWaalsContact CZ-CD2 3.46Å; Y325-H329 AromaticContact CZ-NE2 3.67Å; Y325-H329 PolarHBondContact O-CD2 2.84Å; Y325-H329 PolarHBondContact O-N 3Å; S327-H329 PolarHBondContact O-N 3.36Å; H329-L331 VanDerWaalsContact C-N 3.26Å; H329-L331 HydrophobicContact CB-CD2 4.04Å; H329-L331 HydrophobicContact CB-CG 4.24Å; H329-L331 PolarHBondContact O-N 2.67Å
330K97.6Very high97.3Very high176 Ų17690.9 Ų90.977%0.76544%0.441SS*.THydrogen-bonded Turntrans51.140.6177.1-57.5-178.5-178178.60113.7M326 S327 F328M326-K330 PolarHBondContact O-N 2.84Å; S327-K330 WeakPolarHBondContact O-CA 3.28Å; S327-K330 PolarHBondContact O-N 3.08Å; F328-K330 PolarHBondContact O-N 3.41Å
331L98Very high97.3Very high35 Ų3587.3 Ų87.318%0.18343%0.428CS..  trans-61.9145.1-177.5-59.1-175000111.5M326 H329 F335 R336 I339M326-L331 HydrophobicContact CB-CD1 4.01Å; M326-L331 HydrophobicContact CB-CG 4.45Å; M326-L331 HydrophobicContact CG-CD1 3.82Å; M326-L331 PolarHBondContact O-N 3.22Å; H329-L331 VanDerWaalsContact C-N 3.26Å; H329-L331 HydrophobicContact CB-CD2 4.04Å; H329-L331 HydrophobicContact CB-CG 4.24Å; H329-L331 PolarHBondContact O-N 2.67Å; L331-F335 HydrophobicContact CB-CD1 4.24Å; L331-F335 HydrophobicContact CD1-CD1 3.87Å; L331-F335 HydrophobicContact CD1-CE1 3.96Å; L331-F335 HydrophobicContact CD2-CD1 4.28Å; L331-F335 HydrophobicContact CD2-CE1 4.42Å; L331-F335 HydrophobicContact CG-CD1 4.36Å; L331-R336 HydrophobicContact CB-CG 4.2Å; L331-R336 PolarHBondContact O-NE 2.92Å; L331-R336 PolarHBondContact O-NH2 3.49Å; L331-I339 HydrophobicContact CD1-CD1 4Å
332P98.1Very high97.2Very high86 Ų8686 Ų8656%0.55842%0.419SS*.  trans-60.8151.9176.2-23.334.1000113.1D334 F335 R336P332-D334 PolarHBondContact O-N 3.27Å; P332-F335 PolarHBondContact O-N 3.4Å; P332-F335 VanDerWaalsContact O-N 3.11Å; P332-R336 WeakPolarHBondContact O-CG 3.05Å; P332-R336 PolarHBondContact O-N 2.89Å
333A96.4Very high97.2Very high74 Ų7487.2 Ų87.261%0.61242%0.422SS*.Hα-helixtrans-55.4-49-17600000112.9F335 R336 Q337A333-F335 PolarHBondContact O-N 3.24Å; A333-R336 WeakPolarHBondContact O-CA 3.45Å; A333-R336 WeakPolarHBondContact O-CB 3.33Å; A333-R336 PolarHBondContact O-N 2.89Å; A333-Q337 PolarHBondContact O-N 3.2Å
334D96.2Very high97Very high139 Ų13987.9 Ų87.974%0.74343%0.425SS*.Hα-helixtrans-58.1-36.4179.4-47.8-20.6000112.3P332 K338P332-D334 PolarHBondContact O-N 3.27Å; D334-K338 WeakPolarHBondContact O-CB 3.23Å; D334-K338 PolarHBondContact O-N 3.21Å
335F95.8Very high96.9Very high105 Ų10584.3 Ų84.346%0.46141%0.408SS..Hα-helixtrans-75.8-31.4178.1-168.4-132.6000112.1L331 P332 A333 K338 I339L331-F335 HydrophobicContact CB-CD1 4.24Å; L331-F335 HydrophobicContact CD1-CD1 3.87Å; L331-F335 HydrophobicContact CD1-CE1 3.96Å; L331-F335 HydrophobicContact CD2-CD1 4.28Å; L331-F335 HydrophobicContact CD2-CE1 4.42Å; L331-F335 HydrophobicContact CG-CD1 4.36Å; P332-F335 PolarHBondContact O-N 3.4Å; P332-F335 VanDerWaalsContact O-N 3.11Å; A333-F335 PolarHBondContact O-N 3.24Å; F335-K338 PolarHBondContact O-N 3.24Å; F335-I339 HydrophobicContact CD1-CD1 4.2Å; F335-I339 HydrophobicContact CE1-CD1 4.03Å; F335-I339 HydrophobicContact CZ-CD1 4.19Å; F335-I339 WeakPolarHBondContact O-CD1 3.31Å; F335-I339 VanDerWaalsContact O-CG1 3.3Å; F335-I339 WeakPolarHBondContact O-CG1 3.31Å; F335-I339 PolarHBondContact O-N 3.07Å
336R97.1Very high96.7Very high86 Ų8680.1 Ų80.133%0.32539%0.391SS..Hα-helixtrans-66.4-43.7169.9-60.4-175.5-164-1601.7111.6M326 L331 P332 A333 K338 I339 H340M326-R336 HydrophobicContact CB-CG 4.19Å; M326-R336 HydrophobicContact CE-CB 4.29Å; M326-R336 HydrophobicContact CE-CG 4.48Å; M326-R336 HydrophobicContact SD-CB 3.88Å; M326-R336 HydrophobicContact SD-CG 3.84Å; L331-R336 HydrophobicContact CB-CG 4.2Å; L331-R336 PolarHBondContact O-NE 2.92Å; L331-R336 PolarHBondContact O-NH2 3.49Å; P332-R336 WeakPolarHBondContact O-CG 3.05Å; P332-R336 PolarHBondContact O-N 2.89Å; A333-R336 WeakPolarHBondContact O-CA 3.45Å; A333-R336 WeakPolarHBondContact O-CB 3.33Å; A333-R336 PolarHBondContact O-N 2.89Å; R336-K338 VanDerWaalsContact C-N 3.32Å; R336-K338 PolarHBondContact O-N 3.03Å; R336-I339 PolarHBondContact O-N 2.99Å; R336-H340 PolarHBondContact O-N 3.01Å
337Q97Very high96.5Very high103 Ų10382.5 Ų82.548%0.48140%0.4SS..Hα-helixtrans-60.3-45.4175.4-170.763.345.500110.5A333 I339 H340 D341A333-Q337 PolarHBondContact O-N 3.2Å; Q337-I339 VanDerWaalsContact C-N 3.29Å; Q337-I339 PolarHBondContact O-N 3Å; Q337-H340 WeakPolarHBondContact O-CB 3.47Å; Q337-H340 PolarHBondContact O-N 2.9Å; Q337-D341 PolarHBondContact NE2-OD1 3.32Å; Q337-D341 PolarHBondContact O-N 2.78Å
338K96.8Very high96.2Very high72 Ų7285.2 Ų85.231%0.31341%0.406SS..Hα-helixtrans-55.8-42.7174.8-175.4170.1-178.4173.20112.7D334 F335 R336 Y342 Q405 D408D334-K338 WeakPolarHBondContact O-CB 3.23Å; D334-K338 PolarHBondContact O-N 3.21Å; F335-K338 PolarHBondContact O-N 3.24Å; R336-K338 VanDerWaalsContact C-N 3.32Å; R336-K338 PolarHBondContact O-N 3.03Å; K338-Y342 WeakPolarHBondContact O-CB 3.33Å; K338-Y342 PolarHBondContact O-N 2.92Å; K338-Y342 VanDerWaalsContact O-N 3.08Å; K338-Q405 PolarHBondContact O-NE2 3.5Å; K338-Q405 PolarHBondContact O-OE1 3.19Å; K338-D408 IonicContact NZ-OD1 2.71Å; K338-D408 PolarHBondContact NZ-OD1 2.65Å; K338-D408 IonicContact NZ-OD2 2.92Å
339I97.3Very high95.8Very high32 Ų3278.4 Ų78.416%0.16438%0.382CS..Hα-helixtrans-67.3-39.9175.5-68.4163.6000111.5V322 M326 L331 F335 R336 Q337 Y342 Y343V322-I339 HydrophobicContact CG1-CG2 3.8Å; M326-I339 HydrophobicContact CE-CG2 4.38Å; M326-I339 HydrophobicContact CG-CD1 4.12Å; M326-I339 HydrophobicContact SD-CB 3.76Å; M326-I339 HydrophobicContact SD-CD1 3.6Å; M326-I339 HydrophobicContact SD-CG1 4.28Å; M326-I339 HydrophobicContact SD-CG2 3.69Å; L331-I339 HydrophobicContact CD1-CD1 4Å; F335-I339 HydrophobicContact CD1-CD1 4.2Å; F335-I339 HydrophobicContact CE1-CD1 4.03Å; F335-I339 HydrophobicContact CZ-CD1 4.19Å; F335-I339 WeakPolarHBondContact O-CD1 3.31Å; F335-I339 VanDerWaalsContact O-CG1 3.3Å; F335-I339 WeakPolarHBondContact O-CG1 3.31Å; F335-I339 PolarHBondContact O-N 3.07Å; R336-I339 PolarHBondContact O-N 2.99Å; Q337-I339 VanDerWaalsContact C-N 3.29Å; Q337-I339 PolarHBondContact O-N 3Å; I339-Y342 WeakPolarHBondContact O-CB 3.43Å; I339-Y342 PolarHBondContact O-N 2.81Å; I339-Y343 HydrophobicContact CG2-CD2 3.96Å; I339-Y343 HydrophobicContact CG2-CE2 4.13Å; I339-Y343 WeakPolarHBondContact O-CD2 3.39Å; I339-Y343 PolarHBondContact O-N 3.42Å
340H96.5Very high95.4Very high64 Ų6479.5 Ų79.530%0.29639%0.385SS..Hα-helixtrans-58.6-54.5175.2-178.977.6000111.4Y319 R336 Q337 Y342 Y343 E344Y319-H340 AromaticContact CE1-ND1 3.96Å; Y319-H340 AromaticContact CE2-ND1 3.95Å; Y319-H340 AromaticContact CZ-ND1 3.35Å; Y319-H340 VanDerWaalsContact CZ-ND1 3.35Å; Y319-H340 PolarHBondContact OH-ND1 2.79Å; R336-H340 PolarHBondContact O-N 3.01Å; Q337-H340 WeakPolarHBondContact O-CB 3.47Å; Q337-H340 PolarHBondContact O-N 2.9Å; H340-Y342 PolarHBondContact O-N 2.85Å; H340-Y343 PolarHBondContact O-N 3.3Å; H340-E344 PolarHBondContact O-N 3.15Å
341D96.5Very high94.9Very high42 Ų4273.3 Ų73.323%0.22536%0.36CS..Hα-helixtrans-58.5-38.1179.7-57.1-14.1000111.1Q337 H345Q337-D341 PolarHBondContact NE2-OD1 3.32Å; Q337-D341 PolarHBondContact O-N 2.78Å; D341-H345 WeakPolarHBondContact O-CB 3.44Å; D341-H345 PolarHBondContact O-N 3.19Å; D341-H345 PolarHBondContact O-ND1 3.3Å
342Y96.7Very high94.5Very high77 Ų7777.4 Ų77.430%0.30238%0.376SS..Hα-helixtrans-61.2-49.1174174.3-89.1000112.1K338 I339 H340 E344 H345 R346 V403 Q405K338-Y342 WeakPolarHBondContact O-CB 3.33Å; K338-Y342 PolarHBondContact O-N 2.92Å; K338-Y342 VanDerWaalsContact O-N 3.08Å; I339-Y342 WeakPolarHBondContact O-CB 3.43Å; I339-Y342 PolarHBondContact O-N 2.81Å; H340-Y342 PolarHBondContact O-N 2.85Å; Y342-E344 PolarHBondContact O-N 3.29Å; Y342-H345 PolarHBondContact O-N 3.16Å; Y342-R346 HydrophobicContact CE1-CB 4.21Å; Y342-R346 HydrophobicContact CE1-CG 4.35Å; Y342-R346 WeakPolarHBondContact O-CB 3.49Å; Y342-R346 PolarHBondContact O-N 2.98Å; Y342-V403 WeakPolarHBondContact CE2-O 3.38Å; Y342-Q405 HydrophobicContact CD2-CG 4.39Å
343Y96Very high94.1Very high45 Ų4578.2 Ų78.218%0.17638%0.376CS..Hα-helixtrans-64.1-40.4179.8-94.7-94.8000111.7Y315 Y319 V322 I339 H340 R346 Y347Y315-Y343 HydrophobicContact CE2-CD1 4.46Å; Y319-Y343 HydrophobicContact CD2-CD1 4.26Å; Y319-Y343 HydrophobicContact CD2-CG 4.06Å; Y319-Y343 HydrophobicContact CE2-CG 4.44Å; V322-Y343 HydrophobicContact CG1-CE2 4.03Å; V322-Y343 HydrophobicContact CG2-CE1 4.08Å; V322-Y343 HydrophobicContact CG2-CE2 4.05Å; V322-Y343 WeakPolarHBondContact CG2-OH 3.38Å; I339-Y343 HydrophobicContact CG2-CD2 3.96Å; I339-Y343 HydrophobicContact CG2-CE2 4.13Å; I339-Y343 WeakPolarHBondContact O-CD2 3.39Å; I339-Y343 PolarHBondContact O-N 3.42Å; H340-Y343 PolarHBondContact O-N 3.3Å; Y343-R346 PolarHBondContact O-N 3.05Å; Y343-Y347 AromaticContact CD1-CD2 3.65Å; Y343-Y347 HydrophobicContact CD1-CD2 3.65Å; Y343-Y347 AromaticContact CD1-CE2 3.68Å; Y343-Y347 HydrophobicContact CD1-CE2 3.68Å; Y343-Y347 HydrophobicContact CE1-CD2 4.13Å; Y343-Y347 AromaticContact CE1-CE2 3.68Å; Y343-Y347 HydrophobicContact CE1-CE2 3.68Å; Y343-Y347 HydrophobicContact CG-CD2 4.39Å; Y343-Y347 WeakPolarHBondContact O-CB 3.4Å; Y343-Y347 PolarHBondContact O-N 3.08Å
344E94.3Very high93.8Very high101 Ų10179 Ų7947%0.47237%0.366SS..Hα-helixtrans-61.2-47.8174.9-171.7177.9-155.200111.4H340 Y342 Q348H340-E344 PolarHBondContact O-N 3.15Å; Y342-E344 PolarHBondContact O-N 3.29Å; E344-Q348 WeakPolarHBondContact O-CA 3.39Å; E344-Q348 PolarHBondContact O-N 3.05Å
345H94.4Very high93.4Very high63 Ų6376.9 Ų76.929%0.29235%0.352SS..Hα-helixtrans-71.3-33-179.6-73.674.7000113.5D341 Y342 Y466D341-H345 WeakPolarHBondContact O-CB 3.44Å; D341-H345 PolarHBondContact O-N 3.19Å; D341-H345 PolarHBondContact O-ND1 3.3Å; Y342-H345 PolarHBondContact O-N 3.16Å; H345-Y466 HydrophobicContact CB-CD1 4.08Å; H345-Y466 HydrophobicContact CB-CE1 4.1Å; H345-Y466 AromaticContact CD2-CD1 3.52Å; H345-Y466 AromaticContact CD2-CD2 4Å; H345-Y466 AromaticContact CD2-CE1 3.67Å; H345-Y466 AromaticContact CD2-CG 3.68Å; H345-Y466 AromaticContact CE1-CE1 3.84Å; H345-Y466 AromaticContact CE1-CE2 3.91Å; H345-Y466 AromaticContact CE1-CZ 3.57Å; H345-Y466 AromaticContact CG-CD1 3.68Å; H345-Y466 AromaticContact CG-CE1 3.53Å; H345-Y466 AromaticContact ND1-CE1 3.62Å; H345-Y466 AromaticContact ND1-CZ 3.79Å; H345-Y466 AromaticContact NE2-CD2 3.79Å; H345-Y466 AromaticContact NE2-CE1 3.88Å; H345-Y466 AromaticContact NE2-CE2 3.65Å; H345-Y466 AromaticContact NE2-CG 3.98Å; H345-Y466 AromaticContact NE2-CZ 3.7Å
346R94.5Very high93.2Very high52 Ų5274.3 Ų74.320%0.19635%0.347CS..Hα-helixtrans-77.6-33.1-178.7177.158.4-173.185.8-8.3113.7Y342 Y343 V403Y342-R346 HydrophobicContact CE1-CB 4.21Å; Y342-R346 HydrophobicContact CE1-CG 4.35Å; Y342-R346 WeakPolarHBondContact O-CB 3.49Å; Y342-R346 PolarHBondContact O-N 2.98Å; Y343-R346 PolarHBondContact O-N 3.05Å; R346-V403 HydrophobicContact CB-CG2 4.49Å
347Y93.5Very high93Very high55 Ų5574 Ų7422%0.21635%0.351CS..Hα-helixtrans-121.4-16.9-172.7-64.4-74.5000114.1Y315 Y343 G349 K350 M351Y315-Y347 HydrophobicContact CD2-CG 4.43Å; Y315-Y347 HydrophobicContact CE2-CD2 4.43Å; Y315-Y347 HydrophobicContact CE2-CG 4.38Å; Y343-Y347 AromaticContact CD1-CD2 3.65Å; Y343-Y347 HydrophobicContact CD1-CD2 3.65Å; Y343-Y347 AromaticContact CD1-CE2 3.68Å; Y343-Y347 HydrophobicContact CD1-CE2 3.68Å; Y343-Y347 HydrophobicContact CE1-CD2 4.13Å; Y343-Y347 AromaticContact CE1-CE2 3.68Å; Y343-Y347 HydrophobicContact CE1-CE2 3.68Å; Y343-Y347 HydrophobicContact CG-CD2 4.39Å; Y343-Y347 WeakPolarHBondContact O-CB 3.4Å; Y343-Y347 PolarHBondContact O-N 3.08Å; Y347-G349 PolarHBondContact O-N 3.21Å; Y347-G349 VanDerWaalsContact O-N 3.11Å; Y347-K350 WeakPolarHBondContact CB-O 3.44Å; Y347-K350 PolarHBondContact O-N 3.44Å; Y347-M351 HydrophobicContact CD1-CG 4.32Å; Y347-M351 HydrophobicContact CE1-CG 4.27Å
348Q92.1Very high92.8Very high127 Ų12770.8 Ų70.859%0.59334%0.337SS*.THydrogen-bonded Turntrans52.936.7176-62.4163.535.100113E344 K350 R468E344-Q348 WeakPolarHBondContact O-CA 3.39Å; E344-Q348 PolarHBondContact O-N 3.05Å; Q348-K350 VanDerWaalsContact C-N 3.32Å; Q348-K350 PolarHBondContact O-N 2.85Å; Q348-R468 VanDerWaalsContact NE2-NH2 3.14Å
349G88.3Confident92.5Very high21 Ų2173.8 Ų73.822%0.21635%0.352CS..THydrogen-bonded Turntrans77.93.8-179.300000116.1Y347Y347-G349 PolarHBondContact O-N 3.21Å; Y347-G349 VanDerWaalsContact O-N 3.11Å
350K90.3Very high92.3Very high115 Ų11579.9 Ų79.950%0.538%0.38SS..  trans-130.1131.3177.3-66.2-175.9178.6-177.10111Y347 Q348 F352Y347-K350 WeakPolarHBondContact CB-O 3.44Å; Y347-K350 PolarHBondContact O-N 3.44Å; Q348-K350 VanDerWaalsContact C-N 3.32Å; Q348-K350 PolarHBondContact O-N 2.85Å; K350-F352 HydrophobicContact CB-CE2 3.77Å; K350-F352 HydrophobicContact CB-CZ 4Å; K350-F352 HydrophobicContact CD-CE2 4.43Å; K350-F352 HydrophobicContact CD-CZ 4.15Å
351M87.6Confident92.2Very high46 Ų4679.3 Ų79.323%0.22738%0.379CS..  trans-110.2136.6177.1-170.9172.1177.600110S311 Y315 K318 Y347S311-M351 PolarHBondContact O-N 2.93Å; Y315-M351 HydrophobicContact CD2-CB 4.46Å; K318-M351 HydrophobicContact CB-SD 3.65Å; K318-M351 HydrophobicContact CD-CE 4.36Å; K318-M351 HydrophobicContact CD-SD 4.4Å; K318-M351 HydrophobicContact CG-CE 4.04Å; K318-M351 HydrophobicContact CG-SD 3.63Å; Y347-M351 HydrophobicContact CD1-CG 4.32Å; Y347-M351 HydrophobicContact CE1-CG 4.27Å
352F90.1Very high92Very high121 Ų12181.7 Ų81.753%0.53139%0.392SS..  trans-136.9146.3174.7-55.2-72.8000108.4K350 E354 I357K350-F352 HydrophobicContact CB-CE2 3.77Å; K350-F352 HydrophobicContact CB-CZ 4Å; K350-F352 HydrophobicContact CD-CE2 4.43Å; K350-F352 HydrophobicContact CD-CZ 4.15Å; F352-E354 PolarHBondContact O-N 2.93Å; F352-I357 HydrophobicContact CB-CD1 4.1Å
353D89.6Confident91.8Very high103 Ų10384.6 Ų84.655%0.55141%0.408SS*.  trans-88.384.9167.3-163.2-32.7000108.6E355 S356 I357D353-E355 PolarHBondContact O-N 3.13Å; D353-E355 PolarHBondContact OD1-N 3.19Å; D353-S356 PolarHBondContact O-N 2.83Å; D353-S356 PolarHBondContact OD1-N 3.29Å; D353-S356 VanDerWaalsContact OD1-N 3.12Å; D353-I357 WeakPolarHBondContact O-CB 3.13Å; D353-I357 WeakPolarHBondContact O-CD1 3.35Å; D353-I357 WeakPolarHBondContact O-CG1 3.25Å; D353-I357 PolarHBondContact O-N 2.84Å
354E88.6Confident91.7Very high89 Ų8986.3 Ų86.342%0.41642%0.424SS..Hα-helixtrans-63-29.8-175.4-172.1172.8-16600112.3F352 L358F352-E354 PolarHBondContact O-N 2.93Å; E354-L358 HydrophobicContact CG-CD1 4.02Å; E354-L358 WeakPolarHBondContact O-CB 3.39Å; E354-L358 WeakPolarHBondContact O-CG 3.43Å; E354-L358 PolarHBondContact O-N 3.34Å; E354-L358 VanDerWaalsContact O-N 3.11Å
355E88.2Confident91.7Very high96 Ų9685.3 Ų85.345%0.44942%0.422SS..Hα-helixtrans-71.2-51.7178.2-165.2154.1-160.700109.8D353 I357 L358 E359 R400D353-E355 PolarHBondContact O-N 3.13Å; D353-E355 PolarHBondContact OD1-N 3.19Å; E355-I357 PolarHBondContact O-N 3.32Å; E355-L358 PolarHBondContact O-N 3.08Å; E355-E359 WeakPolarHBondContact O-CB 3.49Å; E355-E359 WeakPolarHBondContact O-CG 3.49Å; E355-E359 PolarHBondContact O-N 3.32Å; E355-R400 VanDerWaalsContact CD-NH1 3.32Å; E355-R400 IonicContact OE1-CZ 2.64Å; E355-R400 VanDerWaalsContact OE1-CZ 3.22Å; E355-R400 IonicContact OE1-NH1 2.97Å; E355-R400 PolarHBondContact OE1-NH1 3.41Å; E355-R400 IonicContact OE1-NH2 3.7Å; E355-R400 PolarHBondContact OE1-NH2 3.22Å; E355-R400 IonicContact OE2-CZ 3.11Å; E355-R400 IonicContact OE2-NH1 3.68Å; E355-R400 PolarHBondContact OE2-NH1 3.22Å
356S92Very high91.6Very high50 Ų5086 Ų8635%0.3542%0.422SS..Hα-helixtrans-59.6-41.9175.3-170.40000113D353 E359 E360D353-S356 PolarHBondContact O-N 2.83Å; D353-S356 PolarHBondContact OD1-N 3.29Å; D353-S356 VanDerWaalsContact OD1-N 3.12Å; S356-E359 PolarHBondContact O-N 3Å; S356-E360 PolarHBondContact O-N 3.39Å; S356-E360 VanDerWaalsContact O-N 3.13Å
357I93.3Very high91.5Very high81 Ų8187.6 Ų87.642%0.41543%0.432SS..Hα-helixtrans-65.7-42-179.5-69.3164000111F352 D353 E355 E359 L361F352-I357 HydrophobicContact CB-CD1 4.1Å; D353-I357 WeakPolarHBondContact O-CB 3.13Å; D353-I357 WeakPolarHBondContact O-CD1 3.35Å; D353-I357 WeakPolarHBondContact O-CG1 3.25Å; D353-I357 PolarHBondContact O-N 2.84Å; E355-I357 PolarHBondContact O-N 3.32Å; I357-E359 VanDerWaalsContact C-N 3.33Å; I357-L361 WeakPolarHBondContact O-CG 3.42Å
358L91.4Very high91.5Very high35 Ų3591.4 Ų91.418%0.18345%0.452CS..Hα-helixtrans-73.2-26.7178.4-67.4174.6000112.2E354 E355 L361 R366 I369E354-L358 HydrophobicContact CG-CD1 4.02Å; E354-L358 WeakPolarHBondContact O-CB 3.39Å; E354-L358 WeakPolarHBondContact O-CG 3.43Å; E354-L358 PolarHBondContact O-N 3.34Å; E354-L358 VanDerWaalsContact O-N 3.11Å; E355-L358 PolarHBondContact O-N 3.08Å; L358-L361 HydrophobicContact CD2-CD1 4.34Å; L358-L361 PolarHBondContact O-N 3.31Å; L358-R366 HydrophobicContact CB-CG 4.41Å; L358-R366 HydrophobicContact CD2-CG 4.35Å; L358-R366 VanDerWaalsContact O-CZ 3.22Å; L358-R366 PolarHBondContact O-NE 3.33Å; L358-R366 PolarHBondContact O-NH2 3.14Å; L358-I369 HydrophobicContact CD2-CD1 4.46Å; L358-I369 HydrophobicContact CD2-CG2 4.17Å
359E91.3Very high91.6Very high134 Ų13488.4 Ų88.463%0.62644%0.439SS*.Hα-helixtrans-69.8-35.5173.5-78.3-177.2178.300113.5E355 S356 I357 L361E355-E359 WeakPolarHBondContact O-CB 3.49Å; E355-E359 WeakPolarHBondContact O-CG 3.49Å; E355-E359 PolarHBondContact O-N 3.32Å; S356-E359 PolarHBondContact O-N 3Å; I357-E359 VanDerWaalsContact C-N 3.33Å; E359-L361 PolarHBondContact O-N 3.42Å
360E92.9Very high91.8Very high160 Ų16088.3 Ų88.375%0.74843%0.434SS*.Hα-helixtrans-68.1-21.9173.8-73.4177.4-161.800113.5S356S356-E360 PolarHBondContact O-N 3.39Å; S356-E360 VanDerWaalsContact O-N 3.13Å
361L93.7Very high91.9Very high53 Ų5385.2 Ų85.228%0.27742%0.423SS..SBendtrans-85.4147.9178.9-64.3176.4000112.4I357 L358 E359 L365 R366 I369I357-L361 WeakPolarHBondContact O-CG 3.42Å; L358-L361 HydrophobicContact CD2-CD1 4.34Å; L358-L361 PolarHBondContact O-N 3.31Å; E359-L361 PolarHBondContact O-N 3.42Å; L361-L365 HydrophobicContact CB-CB 4.43Å; L361-L365 HydrophobicContact CD2-CD1 4.25Å; L361-R366 PolarHBondContact O-NH2 3.13Å; L361-I369 HydrophobicContact CD1-CD1 3.4Å; L361-I369 VanDerWaalsContact CD1-CD1 3.4Å
362N94.3Very high92.1Very high91 Ų9188.7 Ų88.749%0.48744%0.437SS..  trans-69.6162.4171.172.74000111.8L365 R366N362-L365 PolarHBondContact O-N 2.89Å; N362-L365 VanDerWaalsContact OD1-CB 3.25Å; N362-L365 WeakPolarHBondContact OD1-CB 3.47Å; N362-L365 WeakPolarHBondContact OD1-CD1 3.47Å; N362-L365 WeakPolarHBondContact OD1-CG 3.34Å; N362-L365 PolarHBondContact OD1-N 2.84Å; N362-L365 VanDerWaalsContact OD1-N 3.14Å; N362-R366 PolarHBondContact O-N 3.29Å
363E91.5Very high92.2Very high139 Ų13986.1 Ų86.165%0.6543%0.429SS*.Hα-helixtrans-56.8-47.6-174.6-61172.115200113L365 R366 E367E363-L365 PolarHBondContact O-N 2.86Å; E363-R366 WeakPolarHBondContact O-CB 3.38Å; E363-R366 PolarHBondContact O-N 3.44Å; E363-R366 VanDerWaalsContact O-N 3.13Å; E363-E367 WeakPolarHBondContact O-CG 3.39Å; E363-E367 PolarHBondContact O-N 3.04Å
364P93.8Very high92.3Very high80 Ų8081.4 Ų81.452%0.51940%0.404SS..Hα-helixtrans-62.3-38.7-179.7-24.835.9000114.2E367 E368P364-E367 PolarHBondContact O-N 3.12Å; P364-E368 WeakPolarHBondContact O-CB 3.43Å; P364-E368 PolarHBondContact O-N 3.36Å
365L94.7Very high92.5Very high80 Ų8083.1 Ų83.142%0.41941%0.407SS..Hα-helixtrans-69-37.2176.1-70.9172.3000111.4L361 N362 E363 E368 I369L361-L365 HydrophobicContact CB-CB 4.43Å; L361-L365 HydrophobicContact CD2-CD1 4.25Å; N362-L365 PolarHBondContact O-N 2.89Å; N362-L365 VanDerWaalsContact OD1-CB 3.25Å; N362-L365 WeakPolarHBondContact OD1-CB 3.47Å; N362-L365 WeakPolarHBondContact OD1-CD1 3.47Å; N362-L365 WeakPolarHBondContact OD1-CG 3.34Å; N362-L365 PolarHBondContact OD1-N 2.84Å; N362-L365 VanDerWaalsContact OD1-N 3.14Å; E363-L365 PolarHBondContact O-N 2.86Å; L365-E368 PolarHBondContact O-N 3.1Å; L365-I369 WeakPolarHBondContact O-CB 3.33Å; L365-I369 WeakPolarHBondContact O-CD1 3.44Å; L365-I369 VanDerWaalsContact O-CG1 3.24Å; L365-I369 WeakPolarHBondContact O-CG1 3.33Å; L365-I369 PolarHBondContact O-N 3.48Å
366R92.9Very high92.5Very high78 Ų7886.3 Ų86.329%0.29442%0.419SS..Hα-helixtrans-62.5-46.9174.4-172.2-174.4-60.7163.97.9110.7L358 L361 N362 E363 I369 V370L358-R366 HydrophobicContact CB-CG 4.41Å; L358-R366 HydrophobicContact CD2-CG 4.35Å; L358-R366 VanDerWaalsContact O-CZ 3.22Å; L358-R366 PolarHBondContact O-NE 3.33Å; L358-R366 PolarHBondContact O-NH2 3.14Å; L361-R366 PolarHBondContact O-NH2 3.13Å; N362-R366 PolarHBondContact O-N 3.29Å; E363-R366 WeakPolarHBondContact O-CB 3.38Å; E363-R366 PolarHBondContact O-N 3.44Å; E363-R366 VanDerWaalsContact O-N 3.13Å; R366-I369 PolarHBondContact O-N 2.96Å; R366-V370 VanDerWaalsContact O-CB 3.28Å; R366-V370 WeakPolarHBondContact O-CB 3.2Å; R366-V370 VanDerWaalsContact O-CG2 3.23Å; R366-V370 WeakPolarHBondContact O-CG2 3.31Å; R366-V370 PolarHBondContact O-N 2.96Å
367E92.1Very high92.4Very high86 Ų8684 Ų8440%0.40240%0.403SS..Hα-helixtrans-60-44.7175.8-7117717900112.1E363 P364 V370 N371 T393 T397E363-E367 WeakPolarHBondContact O-CG 3.39Å; E363-E367 PolarHBondContact O-N 3.04Å; P364-E367 PolarHBondContact O-N 3.12Å; E367-V370 PolarHBondContact O-N 3.28Å; E367-N371 VanDerWaalsContact O-CB 3.25Å; E367-N371 WeakPolarHBondContact O-CB 3.4Å; E367-N371 PolarHBondContact O-N 2.92Å; E367-N371 PolarHBondContact O-ND2 3.43Å; E367-T393 HydrophobicContact CB-CG2 3.9Å; E367-T393 HydrophobicContact CG-CG2 3.54Å; E367-T397 HydrophobicContact CG-CG2 4.17Å
368E93.4Very high92.3Very high135 Ų13581.7 Ų81.763%0.63139%0.392SS*.Hα-helixtrans-63.9-45.6179-171.2176.8-174.300111.9P364 L365 F372P364-E368 WeakPolarHBondContact O-CB 3.43Å; P364-E368 PolarHBondContact O-N 3.36Å; L365-E368 PolarHBondContact O-N 3.1Å; E368-F372 VanDerWaalsContact O-CB 3.31Å; E368-F372 WeakPolarHBondContact O-CB 3.44Å; E368-F372 PolarHBondContact O-N 3.09Å
369I94.1Very high92Very high63 Ų6383.7 Ų83.732%0.32341%0.414SS..Hα-helixtrans-62.1-45.9176.6-70.7166.3000111.1L358 L361 L365 R366 F372 N373L358-I369 HydrophobicContact CD2-CD1 4.46Å; L358-I369 HydrophobicContact CD2-CG2 4.17Å; L361-I369 HydrophobicContact CD1-CD1 3.4Å; L361-I369 VanDerWaalsContact CD1-CD1 3.4Å; L365-I369 WeakPolarHBondContact O-CB 3.33Å; L365-I369 WeakPolarHBondContact O-CD1 3.44Å; L365-I369 VanDerWaalsContact O-CG1 3.24Å; L365-I369 WeakPolarHBondContact O-CG1 3.33Å; L365-I369 PolarHBondContact O-N 3.48Å; R366-I369 PolarHBondContact O-N 2.96Å; I369-F372 PolarHBondContact O-N 2.84Å; I369-N373 WeakPolarHBondContact O-CB 3.42Å; I369-N373 VanDerWaalsContact O-CG 3.28Å; I369-N373 PolarHBondContact O-N 3.14Å
370V92.1Very high91.8Very high19 Ų1979 Ų7912%0.11540%0.396CS..Hα-helixtrans-66.7-44.3-178.3164.50000111.2R366 E367 N373 C374 L396 T397R366-V370 VanDerWaalsContact O-CB 3.28Å; R366-V370 WeakPolarHBondContact O-CB 3.2Å; R366-V370 VanDerWaalsContact O-CG2 3.23Å; R366-V370 WeakPolarHBondContact O-CG2 3.31Å; R366-V370 PolarHBondContact O-N 2.96Å; E367-V370 PolarHBondContact O-N 3.28Å; V370-N373 PolarHBondContact O-N 3.43Å; V370-C374 WeakPolarHBondContact O-CB 3.3Å; V370-C374 PolarHBondContact O-N 3.12Å; V370-C374 PolarHBondContact O-SG 3.32Å; V370-C374 VanDerWaalsContact O-SG 3.36Å; V370-L396 VanDerWaalsContact CG1-C 3.47Å; V370-L396 HydrophobicContact CG1-CB 3.46Å; V370-L396 VanDerWaalsContact CG1-CB 3.46Å; V370-L396 WeakPolarHBondContact CG1-O 3.27Å; V370-T397 HydrophobicContact CG1-CG2 4.42Å
371N91.6Very high91.5Very high50 Ų5071.5 Ų71.527%0.26736%0.361SS..Hα-helixtrans-60.1-44.3172.4-86-63.4000111.3E367 C374 R375 T393 L396E367-N371 VanDerWaalsContact O-CB 3.25Å; E367-N371 WeakPolarHBondContact O-CB 3.4Å; E367-N371 PolarHBondContact O-N 2.92Å; E367-N371 PolarHBondContact O-ND2 3.43Å; N371-C374 PolarHBondContact O-N 2.81Å; N371-R375 WeakPolarHBondContact O-CA 3.49Å; N371-R375 WeakPolarHBondContact O-CB 3.39Å; N371-R375 PolarHBondContact O-N 2.91Å; N371-T393 PolarHBondContact ND2-OG1 3.19Å; N371-L396 WeakPolarHBondContact OD1-CD1 3.25Å
372F93.3Very high90.8Very high120 Ų12069.9 Ų69.953%0.52635%0.354SS..Hα-helixtrans-60.6-48.2176-178.8-96.2000111.9E368 I369 C374 R375E368-F372 VanDerWaalsContact O-CB 3.31Å; E368-F372 WeakPolarHBondContact O-CB 3.44Å; E368-F372 PolarHBondContact O-N 3.09Å; I369-F372 PolarHBondContact O-N 2.84Å; F372-C374 VanDerWaalsContact C-N 3.31Å; F372-C374 PolarHBondContact O-N 3.03Å; F372-R375 VanDerWaalsContact CD1-NH1 3.31Å; F372-R375 VanDerWaalsContact CE2-NH1 3.28Å; F372-R375 WeakPolarHBondContact O-CD 3.35Å; F372-R375 VanDerWaalsContact O-CG 3.26Å; F372-R375 WeakPolarHBondContact O-CG 3.31Å; F372-R375 PolarHBondContact O-N 3.39Å; F372-R375 PolarHBondContact O-NH1 2.97Å
373N91.5Very high90.2Very high67 Ų6765.7 Ų65.736%0.35833%0.331SS..Hα-helixtrans-63.2-36.3-179.8-74.9-15.1000112.4I369 V370I369-N373 WeakPolarHBondContact O-CB 3.42Å; I369-N373 VanDerWaalsContact O-CG 3.28Å; I369-N373 PolarHBondContact O-N 3.14Å; V370-N373 PolarHBondContact O-N 3.43Å
374C92.8Very high89.9Confident4 Ų459.3 Ų59.33%0.02730%0.301CS..Hα-helixtrans-95.3-2.6-176.9-590000114.4V370 N371 F372 K376 L377 V378 L396V370-C374 WeakPolarHBondContact O-CB 3.3Å; V370-C374 PolarHBondContact O-N 3.12Å; V370-C374 PolarHBondContact O-SG 3.32Å; V370-C374 VanDerWaalsContact O-SG 3.36Å; N371-C374 PolarHBondContact O-N 2.81Å; F372-C374 VanDerWaalsContact C-N 3.31Å; F372-C374 PolarHBondContact O-N 3.03Å; C374-K376 PolarHBondContact O-N 3.35Å; C374-L377 WeakPolarHBondContact O-CA 3.39Å; C374-L377 WeakPolarHBondContact O-CB 3.4Å; C374-L377 PolarHBondContact O-N 2.98Å; C374-V378 PolarHBondContact O-N 3Å; C374-L396 HydrophobicContact CB-CD1 3.87Å; C374-L396 HydrophobicContact CB-CD2 3.54Å; C374-L396 HydrophobicContact CB-CG 4.26Å
375R91.1Very high89.3Confident125 Ų12558.2 Ų58.247%0.47230%0.299SS..Hα-helixtrans-49.6-34.8-174.572.9-171.1-178.8-95.816.3115.3N371 F372 A379N371-R375 WeakPolarHBondContact O-CA 3.49Å; N371-R375 WeakPolarHBondContact O-CB 3.39Å; N371-R375 PolarHBondContact O-N 2.91Å; F372-R375 VanDerWaalsContact CD1-NH1 3.31Å; F372-R375 VanDerWaalsContact CE2-NH1 3.28Å; F372-R375 WeakPolarHBondContact O-CD 3.35Å; F372-R375 VanDerWaalsContact O-CG 3.26Å; F372-R375 WeakPolarHBondContact O-CG 3.31Å; F372-R375 PolarHBondContact O-N 3.39Å; F372-R375 PolarHBondContact O-NH1 2.97Å; R375-A379 VanDerWaalsContact O-CB 3.32Å; R375-A379 WeakPolarHBondContact O-CB 3.45Å; R375-A379 PolarHBondContact O-N 3.37Å
376K89.1Confident88.5Confident163 Ų16358.2 Ų58.271%0.70930%0.299SS*.Hα-helixtrans-69.6-37.8176.6-70.4-171.8176.1-1740112.6C374 S380C374-K376 PolarHBondContact O-N 3.35Å; K376-S380 WeakPolarHBondContact O-CB 3.29Å; K376-S380 PolarHBondContact O-N 2.98Å; K376-S380 VanDerWaalsContact O-N 3.16Å; K376-S380 PolarHBondContact O-OG 3.18Å
377L90.6Very high88.2Confident2 Ų255.4 Ų55.41%0.0129%0.293CS..Hα-helixtrans-71.7-41.1176.7178.367.1000111C374 S380 M381 L399 F422 Y470C374-L377 WeakPolarHBondContact O-CA 3.39Å; C374-L377 WeakPolarHBondContact O-CB 3.4Å; C374-L377 PolarHBondContact O-N 2.98Å; L377-S380 PolarHBondContact O-N 3.02Å; L377-S380 PolarHBondContact O-OG 3.34Å; L377-M381 WeakPolarHBondContact O-CB 3.33Å; L377-M381 PolarHBondContact O-N 2.88Å; L377-M381 VanDerWaalsContact O-N 3.1Å; L377-L399 HydrophobicContact CD2-CD1 4.49Å; L377-F422 HydrophobicContact CD1-CB 4.17Å; L377-F422 HydrophobicContact CD2-CB 3.86Å; L377-F422 HydrophobicContact CD2-CG 4.49Å; L377-Y470 HydrophobicContact CD2-CD2 3.97Å
378V89.6Confident88Confident31 Ų3154.7 Ų54.719%0.18829%0.291CS..Hα-helixtrans-60-46.7174.6175.90000110.8C374 S380 F384 V392 L396C374-V378 PolarHBondContact O-N 3Å; V378-S380 PolarHBondContact O-N 3.43Å; V378-F384 HydrophobicContact CB-CB 4.49Å; V378-F384 HydrophobicContact CG1-CB 4.14Å; V378-V392 HydrophobicContact CG1-CG1 4.14Å; V378-V392 HydrophobicContact CG2-CG1 3.82Å; V378-L396 HydrophobicContact CG2-CD1 3.75Å; V378-L396 HydrophobicContact CG2-CD2 4.24Å; V378-L396 HydrophobicContact CG2-CG 4.46Å
379A86.8Confident87.9Confident78 Ų7852.7 Ų52.765%0.64529%0.29SS*.Hα-helixtrans-71.4-24.9-178.700000114.4R375R375-A379 VanDerWaalsContact O-CB 3.32Å; R375-A379 WeakPolarHBondContact O-CB 3.45Å; R375-A379 PolarHBondContact O-N 3.37Å
380S86.1Confident87.8Confident35 Ų3554.6 Ų54.625%0.24530%0.301CS..Hα-helixtrans-95-12.2179.963.80000114.4K376 L377 V378 G443K376-S380 WeakPolarHBondContact O-CB 3.29Å; K376-S380 PolarHBondContact O-N 2.98Å; K376-S380 VanDerWaalsContact O-N 3.16Å; K376-S380 PolarHBondContact O-OG 3.18Å; L377-S380 PolarHBondContact O-N 3.02Å; L377-S380 PolarHBondContact O-OG 3.34Å; V378-S380 PolarHBondContact O-N 3.43Å; S380-G443 WeakPolarHBondContact OG-CA 3.48Å
381M86.3Confident87.8Confident2 Ų253.7 Ų53.71%0.0130%0.296CS..  trans-106.3114.2-177.1-176.6161.6173.600111.3L377 L383 F384 A385 F422 Y445L377-M381 WeakPolarHBondContact O-CB 3.33Å; L377-M381 PolarHBondContact O-N 2.88Å; L377-M381 VanDerWaalsContact O-N 3.1Å; M381-L383 HydrophobicContact CE-CB 3.68Å; M381-L383 HydrophobicContact CE-CD2 3.67Å; M381-L383 HydrophobicContact CE-CG 4.34Å; M381-L383 HydrophobicContact CG-CB 4.16Å; M381-L383 PolarHBondContact O-N 3.28Å; M381-L383 VanDerWaalsContact O-N 3.15Å; M381-F384 HydrophobicContact CB-CD2 4.02Å; M381-F384 HydrophobicContact CE-CE2 4.39Å; M381-F384 HydrophobicContact CE-CZ 4.48Å; M381-F384 HydrophobicContact CG-CD2 4.06Å; M381-F384 HydrophobicContact CG-CE2 4.5Å; M381-F384 HydrophobicContact CG-CG 4.47Å; M381-F384 PolarHBondContact O-N 3.33Å; M381-F384 HydrophobicContact SD-CD2 3.78Å; M381-F384 HydrophobicContact SD-CE2 3.62Å; M381-F384 HydrophobicContact SD-CZ 4.27Å; M381-A385 PolarHBondContact O-N 2.95Å; M381-F422 HydrophobicContact CE-CD1 3.9Å; M381-F422 HydrophobicContact CE-CE1 3.61Å; M381-F422 HydrophobicContact SD-CD1 3.56Å; M381-F422 VanDerWaalsContact SD-CD1 3.56Å; M381-F422 HydrophobicContact SD-CE1 3.83Å; M381-Y445 HydrophobicContact CE-CD1 3.21Å; M381-Y445 HydrophobicContact CE-CD2 4.45Å; M381-Y445 HydrophobicContact CE-CE1 3.59Å; M381-Y445 HydrophobicContact CE-CG 3.69Å; M381-Y445 HydrophobicContact SD-CD1 4.1Å
382P80.2Confident87.9Confident20 Ų2051.7 Ų51.713%0.1329%0.285CS..Hα-helixtrans-56.7-36-176.4-25.231.6000114.2F384 A385 N386 I533 Y536P382-F384 PolarHBondContact O-N 3.35Å; P382-A385 PolarHBondContact O-N 2.87Å; P382-N386 PolarHBondContact O-N 2.83Å; P382-N386 VanDerWaalsContact O-N 3.16Å; P382-I533 HydrophobicContact CB-CG1 4.46Å; P382-Y536 HydrophobicContact CB-CD1 4.41Å; P382-Y536 HydrophobicContact CB-CG 4.32Å; P382-Y536 HydrophobicContact CG-CD1 3.04Å; P382-Y536 HydrophobicContact CG-CD2 3.93Å; P382-Y536 HydrophobicContact CG-CE1 3.46Å; P382-Y536 VanDerWaalsContact CG-CE1 3.46Å; P382-Y536 HydrophobicContact CG-CE2 4.29Å; P382-Y536 HydrophobicContact CG-CG 3.28Å
383L81.1Confident87.8Confident3 Ų347 Ų472%0.01627%0.267CS..Hα-helixtrans-61.8-26178.2-165.379.5000112.6M381 A387 M487 A490 F491 I533M381-L383 HydrophobicContact CE-CB 3.68Å; M381-L383 HydrophobicContact CE-CD2 3.67Å; M381-L383 HydrophobicContact CE-CG 4.34Å; M381-L383 HydrophobicContact CG-CB 4.16Å; M381-L383 PolarHBondContact O-N 3.28Å; M381-L383 VanDerWaalsContact O-N 3.15Å; L383-A387 WeakPolarHBondContact O-CB 3.36Å; L383-M487 HydrophobicContact CD1-SD 3.93Å; L383-M487 HydrophobicContact CG-SD 4.12Å; L383-A490 HydrophobicContact CD1-CB 3.84Å; L383-F491 HydrophobicContact CD2-CD1 4.11Å; L383-F491 HydrophobicContact CD2-CD2 4.17Å; L383-F491 HydrophobicContact CD2-CE1 3.46Å; L383-F491 VanDerWaalsContact CD2-CE1 3.46Å; L383-F491 HydrophobicContact CD2-CE2 3.55Å; L383-F491 HydrophobicContact CD2-CG 4.44Å; L383-F491 HydrophobicContact CD2-CZ 3.15Å; L383-I533 HydrophobicContact CD1-CD1 4.2Å; L383-I533 HydrophobicContact CD1-CG2 4.3Å
384F84.6Confident87.9Confident5 Ų545 Ų452%0.02226%0.259CS..Hα-helixtrans-99.7-33.1175.6-61.8-34000112.1V378 M381 P382 N386 A387 F391 V392 M395 F422V378-F384 HydrophobicContact CB-CB 4.49Å; V378-F384 HydrophobicContact CG1-CB 4.14Å; M381-F384 HydrophobicContact CB-CD2 4.02Å; M381-F384 HydrophobicContact CE-CE2 4.39Å; M381-F384 HydrophobicContact CE-CZ 4.48Å; M381-F384 HydrophobicContact CG-CD2 4.06Å; M381-F384 HydrophobicContact CG-CE2 4.5Å; M381-F384 HydrophobicContact CG-CG 4.47Å; M381-F384 PolarHBondContact O-N 3.33Å; M381-F384 HydrophobicContact SD-CD2 3.78Å; M381-F384 HydrophobicContact SD-CE2 3.62Å; M381-F384 HydrophobicContact SD-CZ 4.27Å; P382-F384 PolarHBondContact O-N 3.35Å; F384-N386 VanDerWaalsContact C-N 3.3Å; F384-N386 PolarHBondContact O-N 3.48Å; F384-A387 PolarHBondContact O-N 2.84Å; F384-F391 AromaticContact CD1-CE1 3.97Å; F384-F391 HydrophobicContact CD1-CE1 3.97Å; F384-F391 AromaticContact CE1-CE1 3.94Å; F384-F391 HydrophobicContact CE1-CE1 3.94Å; F384-F391 HydrophobicContact CE1-CZ 4.36Å; F384-V392 HydrophobicContact CB-CG2 4.07Å; F384-V392 HydrophobicContact CD1-CG2 4.21Å; F384-V392 HydrophobicContact CG-CG2 4.47Å; F384-M395 HydrophobicContact CE1-CB 4.24Å; F384-M395 HydrophobicContact CE1-CE 4.2Å; F384-M395 HydrophobicContact CE1-CG 4.22Å; F384-M395 HydrophobicContact CZ-CB 4.43Å; F384-M395 HydrophobicContact CZ-CE 4.19Å; F384-F422 HydrophobicContact CE2-CD1 4.07Å; F384-F422 AromaticContact CE2-CE1 3.92Å; F384-F422 HydrophobicContact CE2-CE1 3.92Å; F384-F422 HydrophobicContact CZ-CD1 4.23Å; F384-F422 AromaticContact CZ-CE1 3.61Å; F384-F422 HydrophobicContact CZ-CE1 3.61Å; F384-F422 AromaticContact CZ-CZ 3.99Å; F384-F422 HydrophobicContact CZ-CZ 3.99Å
385A81.2Confident87.9Confident56 Ų5644.8 Ų44.846%0.46326%0.258SS..Hα-helixtrans-62.2-34.3178.700000113.6M381 P382M381-A385 PolarHBondContact O-N 2.95Å; P382-A385 PolarHBondContact O-N 2.87Å
386N77.8Confident88Confident81 Ų8139 Ų3943%0.43324%0.236SC..THydrogen-bonded Turntrans-106.37.8-177-68.1-2.3000113.9P382 F384P382-N386 PolarHBondContact O-N 2.83Å; P382-N386 VanDerWaalsContact O-N 3.16Å; F384-N386 VanDerWaalsContact C-N 3.3Å; F384-N386 PolarHBondContact O-N 3.48Å
387A86.3Confident88.2Confident19 Ų1933.7 Ų33.716%0.15722%0.218CC..SBendtrans-100.6168.5-176.100000113.6L383 F384 F391 V392 M487L383-A387 WeakPolarHBondContact O-CB 3.36Å; F384-A387 PolarHBondContact O-N 2.84Å; A387-F391 HydrophobicContact CB-CD1 3.77Å; A387-F391 HydrophobicContact CB-CE1 4.24Å; A387-V392 HydrophobicContact CB-CG2 4.33Å; A387-M487 HydrophobicContact CB-CE 4.5Å; A387-M487 HydrophobicContact CB-SD 3.92Å
388D89.2Confident88.4Confident70 Ų7036.6 Ų36.637%0.37423%0.23SC..  trans-58.1125.7172.2-177.4-10.2000110.6N390 F391 V392D388-N390 PolarHBondContact O-N 2.94Å; D388-N390 VanDerWaalsContact O-N 3.1Å; D388-N390 WeakPolarHBondContact OD1-CB 3.49Å; D388-N390 PolarHBondContact OD1-N 2.85Å; D388-N390 PolarHBondContact OD1-ND2 2.68Å; D388-N390 PolarHBondContact OD2-ND2 3.03Å; D388-F391 HydrophobicContact CB-CB 4.28Å; D388-F391 WeakPolarHBondContact O-CB 3.4Å; D388-F391 PolarHBondContact O-N 2.95Å; D388-V392 PolarHBondContact O-N 3.24Å
389P90.5Very high88.6Confident94 Ų9436.1 Ų36.161%0.6123%0.226SC*.Hα-helixtrans-52.4-28.4173.7-28.636.2000114.7V392 T393P389-V392 PolarHBondContact O-N 3.25Å; P389-T393 WeakPolarHBondContact O-CB 3.23Å; P389-T393 PolarHBondContact O-N 3.16Å; P389-T393 PolarHBondContact O-OG1 2.8Å
390N91.4Very high88.9Confident102 Ų10239 Ų3955%0.54522%0.22SC..Hα-helixtrans-67.5-45.9175.1-57.7-57.6000111.2D388 V392 T393 A394 Y484D388-N390 PolarHBondContact O-N 2.94Å; D388-N390 VanDerWaalsContact O-N 3.1Å; D388-N390 WeakPolarHBondContact OD1-CB 3.49Å; D388-N390 PolarHBondContact OD1-N 2.85Å; D388-N390 PolarHBondContact OD1-ND2 2.68Å; D388-N390 PolarHBondContact OD2-ND2 3.03Å; N390-V392 VanDerWaalsContact C-N 3.34Å; N390-V392 PolarHBondContact O-N 2.89Å; N390-T393 PolarHBondContact O-N 2.79Å; N390-A394 WeakPolarHBondContact O-CB 3.45Å; N390-A394 PolarHBondContact O-N 2.82Å; N390-Y484 VanDerWaalsContact CB-OH 3.28Å; N390-Y484 WeakPolarHBondContact CB-OH 3.47Å
391F93.1Very high89.3Confident1 Ų139.4 Ų39.40%0.00422%0.218CC..Hα-helixtrans-60-44.2172.9164.9-103.3000111.5F384 A387 D388 T393 A394 M395 V480 L481 Y484 M487F384-F391 AromaticContact CD1-CE1 3.97Å; F384-F391 HydrophobicContact CD1-CE1 3.97Å; F384-F391 AromaticContact CE1-CE1 3.94Å; F384-F391 HydrophobicContact CE1-CE1 3.94Å; F384-F391 HydrophobicContact CE1-CZ 4.36Å; A387-F391 HydrophobicContact CB-CD1 3.77Å; A387-F391 HydrophobicContact CB-CE1 4.24Å; D388-F391 HydrophobicContact CB-CB 4.28Å; D388-F391 WeakPolarHBondContact O-CB 3.4Å; D388-F391 PolarHBondContact O-N 2.95Å; F391-T393 PolarHBondContact O-N 3.5Å; F391-A394 PolarHBondContact O-N 3.12Å; F391-M395 HydrophobicContact CD2-CG 3.98Å; F391-M395 HydrophobicContact CE1-CG 4.11Å; F391-M395 HydrophobicContact CE2-CG 3.49Å; F391-M395 VanDerWaalsContact CE2-CG 3.49Å; F391-M395 HydrophobicContact CE2-SD 3.94Å; F391-M395 HydrophobicContact CG-CG 4.48Å; F391-M395 HydrophobicContact CZ-CE 4.34Å; F391-M395 HydrophobicContact CZ-CG 3.57Å; F391-M395 HydrophobicContact CZ-SD 4.13Å; F391-M395 WeakPolarHBondContact O-CB 3.45Å; F391-M395 WeakPolarHBondContact O-CG 3.28Å; F391-M395 PolarHBondContact O-N 2.97Å; F391-V480 HydrophobicContact CD2-CG1 3.74Å; F391-V480 HydrophobicContact CE2-CG1 3.83Å; F391-L481 HydrophobicContact CE2-CD2 4.06Å; F391-Y484 HydrophobicContact CB-CD1 3.73Å; F391-Y484 HydrophobicContact CB-CD2 4.09Å; F391-Y484 HydrophobicContact CB-CE1 3.76Å; F391-Y484 HydrophobicContact CB-CE2 4.15Å; F391-Y484 HydrophobicContact CB-CG 3.89Å; F391-Y484 HydrophobicContact CD2-CD1 4.38Å; F391-Y484 AromaticContact CD2-CD2 3.77Å; F391-Y484 HydrophobicContact CD2-CD2 3.77Å; F391-Y484 HydrophobicContact CD2-CE2 4.49Å; F391-Y484 AromaticContact CD2-CG 3.7Å; F391-Y484 HydrophobicContact CD2-CG 3.7Å; F391-Y484 HydrophobicContact CG-CD1 4.43Å; F391-Y484 HydrophobicContact CG-CD2 4.42Å; F391-Y484 HydrophobicContact CG-CG 4.19Å; F391-M487 HydrophobicContact CD1-CG 3.82Å; F391-M487 HydrophobicContact CD1-SD 4.18Å; F391-M487 HydrophobicContact CD2-CB 4.33Å; F391-M487 HydrophobicContact CD2-CG 4.05Å; F391-M487 HydrophobicContact CE1-CB 4.23Å; F391-M487 HydrophobicContact CE1-CG 3.6Å; F391-M487 HydrophobicContact CE1-SD 3.72Å; F391-M487 HydrophobicContact CE2-CB 3.79Å; F391-M487 HydrophobicContact CE2-CG 3.86Å; F391-M487 HydrophobicContact CG-CG 4.02Å; F391-M487 HydrophobicContact CZ-CB 3.72Å; F391-M487 HydrophobicContact CZ-CG 3.63Å; F391-M487 HydrophobicContact CZ-SD 4.13Å
392V92.9Very high89.8Confident7 Ų741.2 Ų41.24%0.04223%0.227CC..Hα-helixtrans-59.7-49.3177.6177.10000109.9V378 F384 A387 D388 P389 N390 A394 M395 L396V378-V392 HydrophobicContact CG1-CG1 4.14Å; V378-V392 HydrophobicContact CG2-CG1 3.82Å; F384-V392 HydrophobicContact CB-CG2 4.07Å; F384-V392 HydrophobicContact CD1-CG2 4.21Å; F384-V392 HydrophobicContact CG-CG2 4.47Å; A387-V392 HydrophobicContact CB-CG2 4.33Å; D388-V392 PolarHBondContact O-N 3.24Å; P389-V392 PolarHBondContact O-N 3.25Å; N390-V392 VanDerWaalsContact C-N 3.34Å; N390-V392 PolarHBondContact O-N 2.89Å; V392-A394 PolarHBondContact O-N 3.15Å; V392-M395 PolarHBondContact O-N 2.83Å; V392-L396 HydrophobicContact CG1-CD1 3.79Å; V392-L396 HydrophobicContact CG1-CG 4.07Å; V392-L396 WeakPolarHBondContact O-CB 3.28Å; V392-L396 WeakPolarHBondContact O-CG 3.37Å; V392-L396 PolarHBondContact O-N 2.83Å
393T92.5Very high90.6Very high23 Ų2340.6 Ų40.614%0.14122%0.222CC..Hα-helixtrans-63.8-41.4-180-57.50000112.3E367 N371 P389 N390 F391 M395 L396 T397E367-T393 HydrophobicContact CB-CG2 3.9Å; E367-T393 HydrophobicContact CG-CG2 3.54Å; N371-T393 PolarHBondContact ND2-OG1 3.19Å; P389-T393 WeakPolarHBondContact O-CB 3.23Å; P389-T393 PolarHBondContact O-N 3.16Å; P389-T393 PolarHBondContact O-OG1 2.8Å; N390-T393 PolarHBondContact O-N 2.79Å; F391-T393 PolarHBondContact O-N 3.5Å; T393-M395 PolarHBondContact O-N 3.17Å; T393-L396 PolarHBondContact O-N 2.88Å; T393-T397 HydrophobicContact CG2-CG2 4.4Å; T393-T397 WeakPolarHBondContact O-CG2 3.44Å; T393-T397 PolarHBondContact O-N 3.31Å; T393-T397 PolarHBondContact O-OG1 3.09Å
394A92.9Very high91.4Very high24 Ų2442.2 Ų42.220%0.19823%0.229CC..Hα-helixtrans-62.4-38.7174.500000112.8N390 F391 V392 T397 K398 V480N390-A394 WeakPolarHBondContact O-CB 3.45Å; N390-A394 PolarHBondContact O-N 2.82Å; F391-A394 PolarHBondContact O-N 3.12Å; V392-A394 PolarHBondContact O-N 3.15Å; A394-T397 PolarHBondContact O-OG1 2.64Å; A394-K398 WeakPolarHBondContact O-CG 2.95Å; A394-V480 HydrophobicContact CB-CG1 4.2Å; A394-V480 HydrophobicContact CB-CG2 4.39Å
395M93.4Very high92Very high0 Ų042.6 Ų42.60%023%0.231CC..Hα-helixtrans-67.1-50.3173-75.3-71.4-77.900111.7F384 F391 V392 T393 T397 K398 F422 L472 V480 F491F384-M395 HydrophobicContact CE1-CB 4.24Å; F384-M395 HydrophobicContact CE1-CE 4.2Å; F384-M395 HydrophobicContact CE1-CG 4.22Å; F384-M395 HydrophobicContact CZ-CB 4.43Å; F384-M395 HydrophobicContact CZ-CE 4.19Å; F391-M395 HydrophobicContact CD2-CG 3.98Å; F391-M395 HydrophobicContact CE1-CG 4.11Å; F391-M395 HydrophobicContact CE2-CG 3.49Å; F391-M395 VanDerWaalsContact CE2-CG 3.49Å; F391-M395 HydrophobicContact CE2-SD 3.94Å; F391-M395 HydrophobicContact CG-CG 4.48Å; F391-M395 HydrophobicContact CZ-CE 4.34Å; F391-M395 HydrophobicContact CZ-CG 3.57Å; F391-M395 HydrophobicContact CZ-SD 4.13Å; F391-M395 WeakPolarHBondContact O-CB 3.45Å; F391-M395 WeakPolarHBondContact O-CG 3.28Å; F391-M395 PolarHBondContact O-N 2.97Å; V392-M395 PolarHBondContact O-N 2.83Å; T393-M395 PolarHBondContact O-N 3.17Å; M395-T397 PolarHBondContact O-N 3.36Å; M395-K398 PolarHBondContact O-N 3.4Å; M395-F422 HydrophobicContact CE-CE2 4.48Å; M395-F422 HydrophobicContact CE-CZ 3.77Å; M395-L472 HydrophobicContact CE-CD2 3.47Å; M395-L472 VanDerWaalsContact CE-CD2 3.47Å; M395-L472 HydrophobicContact SD-CD2 3.9Å; M395-V480 HydrophobicContact CG-CG1 3.93Å; M395-V480 HydrophobicContact SD-CB 4.11Å; M395-V480 HydrophobicContact SD-CG1 3.82Å; M395-F491 HydrophobicContact CE-CE2 4.4Å; M395-F491 HydrophobicContact CE-CZ 4.26Å
396L93.4Very high92.8Very high3 Ų342.9 Ų42.92%0.01623%0.228CC..Hα-helixtrans-65.2-39.8-171.9-67.1179.1000112.6V370 N371 C374 V378 V392 T393 K398 L399V370-L396 VanDerWaalsContact CG1-C 3.47Å; V370-L396 HydrophobicContact CG1-CB 3.46Å; V370-L396 VanDerWaalsContact CG1-CB 3.46Å; V370-L396 WeakPolarHBondContact CG1-O 3.27Å; N371-L396 WeakPolarHBondContact OD1-CD1 3.25Å; C374-L396 HydrophobicContact CB-CD1 3.87Å; C374-L396 HydrophobicContact CB-CD2 3.54Å; C374-L396 HydrophobicContact CB-CG 4.26Å; V378-L396 HydrophobicContact CG2-CD1 3.75Å; V378-L396 HydrophobicContact CG2-CD2 4.24Å; V378-L396 HydrophobicContact CG2-CG 4.46Å; V392-L396 HydrophobicContact CG1-CD1 3.79Å; V392-L396 HydrophobicContact CG1-CG 4.07Å; V392-L396 WeakPolarHBondContact O-CB 3.28Å; V392-L396 WeakPolarHBondContact O-CG 3.37Å; V392-L396 PolarHBondContact O-N 2.83Å; T393-L396 PolarHBondContact O-N 2.88Å; L396-K398 PolarHBondContact O-N 2.99Å; L396-L399 HydrophobicContact CD2-CD1 3.61Å; L396-L399 WeakPolarHBondContact O-CB 3.41Å; L396-L399 PolarHBondContact O-N 3.47Å; L396-L399 VanDerWaalsContact O-N 3.13Å
397T92.6Very high93.6Very high52 Ų5240.9 Ų40.932%0.31923%0.227SC..THydrogen-bonded Turntrans-64-18.1177.851.20000113.4E367 V370 T393 A394 M395E367-T397 HydrophobicContact CG-CG2 4.17Å; V370-T397 HydrophobicContact CG1-CG2 4.42Å; T393-T397 HydrophobicContact CG2-CG2 4.4Å; T393-T397 WeakPolarHBondContact O-CG2 3.44Å; T393-T397 PolarHBondContact O-N 3.31Å; T393-T397 PolarHBondContact O-OG1 3.09Å; A394-T397 PolarHBondContact O-OG1 2.64Å; M395-T397 PolarHBondContact O-N 3.36Å
398K93.6Very high94.1Very high62 Ų6241.8 Ų41.827%0.2723%0.229SC..THydrogen-bonded Turntrans-97.2-2.4178.6-60.5-77.8-175.2156.50113.4A394 M395 L396 L472 N476 E479A394-K398 WeakPolarHBondContact O-CG 2.95Å; M395-K398 PolarHBondContact O-N 3.4Å; L396-K398 PolarHBondContact O-N 2.99Å; K398-L472 HydrophobicContact CB-CD1 3.78Å; K398-N476 HydrophobicContact CB-CB 3.99Å; K398-N476 HydrophobicContact CD-CB 4.16Å; K398-N476 HydrophobicContact CG-CB 4.29Å; K398-N476 PolarHBondContact O-ND2 2.73Å; K398-E479 IonicContact NZ-OE1 3.54Å; K398-E479 PolarHBondContact NZ-OE1 3.11Å; K398-E479 IonicContact NZ-OE2 2.81Å; K398-E479 PolarHBondContact NZ-OE2 3.27Å
399L94.1Very high94.5Very high22 Ų2243 Ų4312%0.11523%0.229CC..  trans-78.5144.5179-65.3-177.8000112.4L377 L396 F422 Y470 L472L377-L399 HydrophobicContact CD2-CD1 4.49Å; L396-L399 HydrophobicContact CD2-CD1 3.61Å; L396-L399 WeakPolarHBondContact O-CB 3.41Å; L396-L399 PolarHBondContact O-N 3.47Å; L396-L399 VanDerWaalsContact O-N 3.13Å; L399-F422 HydrophobicContact CD2-CD2 3.72Å; L399-F422 HydrophobicContact CD2-CE2 3.65Å; L399-Y470 HydrophobicContact CB-CD1 3.85Å; L399-Y470 HydrophobicContact CB-CG 4.23Å; L399-Y470 HydrophobicContact CD1-CD1 4.32Å; L399-Y470 HydrophobicContact CD1-CG 4.01Å; L399-L472 HydrophobicContact CD2-CB 3.9Å; L399-L472 HydrophobicContact CD2-CD1 4.3Å; L399-L472 HydrophobicContact CD2-CG 4.49Å
400R94.3Very high94.8Very high137 Ų13739.3 Ų39.352%0.51720%0.204SC..EExtended strand (participates in β ladder)trans-120.3130.7171.1-66.9-168.9178-122-3.1111.6E355 Y470 S471E355-R400 VanDerWaalsContact CD-NH1 3.32Å; E355-R400 IonicContact OE1-CZ 2.64Å; E355-R400 VanDerWaalsContact OE1-CZ 3.22Å; E355-R400 IonicContact OE1-NH1 2.97Å; E355-R400 PolarHBondContact OE1-NH1 3.41Å; E355-R400 IonicContact OE1-NH2 3.7Å; E355-R400 PolarHBondContact OE1-NH2 3.22Å; E355-R400 IonicContact OE2-CZ 3.11Å; E355-R400 IonicContact OE2-NH1 3.68Å; E355-R400 PolarHBondContact OE2-NH1 3.22Å; R400-Y470 CarbonylContact O-C 3.59Å; R400-Y470 WeakPolarHBondContact O-CA 3.33Å; R400-S471 PolarHBondContact N-O 3.16Å; R400-S471 PolarHBondContact O-N 3.26Å
401F94.3Very high95Very high44 Ų4434.9 Ų34.919%0.19318%0.18CC..EExtended strand (participates in β ladder)trans-75.7124.4-179-179.5-101.5000112.3V403 R468 Y470F401-V403 HydrophobicContact CD1-CG2 4.43Å; F401-V403 HydrophobicContact CE1-CG2 3.54Å; F401-V403 HydrophobicContact CZ-CG2 3.69Å; F401-R468 HydrophobicContact CE2-CB 3.93Å; F401-R468 HydrophobicContact CE2-CG 4.4Å; F401-R468 HydrophobicContact CZ-CB 4.2Å; F401-R468 HydrophobicContact CZ-CG 4.18Å; F401-Y470 HydrophobicContact CB-CD1 4.22Å; F401-Y470 HydrophobicContact CB-CE1 3.9Å; F401-Y470 HydrophobicContact CD2-CE1 4.09Å; F401-Y470 HydrophobicContact CG-CE1 4.5Å
402E95.9Very high95.1Very high41 Ų4141.4 Ų41.419%0.19221%0.205CC..EExtended strand (participates in β ladder)trans-128.7150.9178.7-67.9-177.2-158.400111F404 K419 Y421 L469 S471E402-F404 HydrophobicContact CB-CE2 3.88Å; E402-F404 WeakPolarHBondContact OE2-CZ 3.24Å; E402-K419 IonicContact OE1-NZ 2.73Å; E402-K419 PolarHBondContact OE1-NZ 2.85Å; E402-Y421 WeakPolarHBondContact OE2-CE1 3.28Å; E402-L469 PolarHBondContact N-O 3.24Å; E402-L469 PolarHBondContact O-N 3.28Å; E402-L469 VanDerWaalsContact O-O 3.11Å; E402-S471 WeakPolarHBondContact OE1-CB 3.36Å; E402-S471 PolarHBondContact OE1-OG 3.01Å
403V97.3Very high95.1Very high7 Ų743.4 Ų43.44%0.04221%0.214CC..EExtended strand (participates in β ladder)trans-126.5138.8178.61780000109.3Y342 R346 F401 C467 R468Y342-V403 WeakPolarHBondContact CE2-O 3.38Å; R346-V403 HydrophobicContact CB-CG2 4.49Å; F401-V403 HydrophobicContact CD1-CG2 4.43Å; F401-V403 HydrophobicContact CE1-CG2 3.54Å; F401-V403 HydrophobicContact CZ-CG2 3.69Å; V403-C467 CarbonylContact C-O 3.53Å; V403-C467 VanDerWaalsContact CA-O 3.32Å; V403-C467 WeakPolarHBondContact CA-O 3.44Å; V403-R468 HydrophobicContact CG2-CG 4.49Å
404F98.1Very high95.1Very high36 Ų3643.8 Ų43.816%0.15822%0.222CC..EExtended strand (participates in β ladder)trans-129.6146.8178-66.8-91.1000110.9E402 D408 I410 Y421 A463 Y466 C467 L469E402-F404 HydrophobicContact CB-CE2 3.88Å; E402-F404 WeakPolarHBondContact OE2-CZ 3.24Å; F404-D408 HydrophobicContact CD1-CB 4.47Å; F404-I410 HydrophobicContact CB-CG1 4.14Å; F404-I410 HydrophobicContact CD1-CG1 3.78Å; F404-I410 HydrophobicContact CD2-CG1 4.11Å; F404-I410 HydrophobicContact CE1-CB 4.48Å; F404-I410 HydrophobicContact CE1-CG1 4.2Å; F404-I410 HydrophobicContact CE1-CG2 4.26Å; F404-I410 HydrophobicContact CE2-CG1 4.5Å; F404-I410 HydrophobicContact CE2-CG2 4.15Å; F404-I410 HydrophobicContact CG-CD1 4.48Å; F404-I410 HydrophobicContact CG-CG1 3.73Å; F404-I410 HydrophobicContact CZ-CG2 4Å; F404-Y421 HydrophobicContact CE2-CE1 4.31Å; F404-Y421 HydrophobicContact CZ-CE1 4.36Å; F404-A463 HydrophobicContact CB-CB 4.42Å; F404-Y466 WeakPolarHBondContact O-CA 3.49Å; F404-C467 HydrophobicContact CB-CB 4.39Å; F404-C467 PolarHBondContact N-O 3.39Å; F404-C467 PolarHBondContact O-N 3.08Å; F404-L469 HydrophobicContact CD2-CD1 3.62Å; F404-L469 HydrophobicContact CD2-CG 4.18Å; F404-L469 HydrophobicContact CE2-CD1 3.8Å
405Q97.8Very high95.2Very high13 Ų1345.4 Ų45.46%0.06123%0.23CC..  trans-94.7157.6-177.2-56179.7-8600111K338 Y342 G407 D408 A463 Y466K338-Q405 PolarHBondContact O-NE2 3.5Å; K338-Q405 PolarHBondContact O-OE1 3.19Å; Y342-Q405 HydrophobicContact CD2-CG 4.39Å; Q405-G407 PolarHBondContact O-N 3.32Å; Q405-D408 WeakPolarHBondContact CB-OD2 3.21Å; Q405-D408 PolarHBondContact N-OD2 3.32Å; Q405-D408 WeakPolarHBondContact O-CB 3.49Å; Q405-D408 PolarHBondContact O-N 3.38Å; Q405-D408 VanDerWaalsContact O-N 3.07Å; Q405-A463 WeakPolarHBondContact O-CB 3.4Å; Q405-Y466 HydrophobicContact CB-CE1 4.15Å; Q405-Y466 HydrophobicContact CG-CD1 4.36Å; Q405-Y466 HydrophobicContact CG-CE1 3.8Å
406P97.3Very high95.2Very high62 Ų6251.3 Ų51.340%0.40326%0.26SS..THydrogen-bonded Turntrans-50.9132.8174.4-25.432.9000112.4D408 Y466P406-D408 VanDerWaalsContact C-N 3.34Å; P406-Y466 HydrophobicContact CG-CD2 3.89Å; P406-Y466 HydrophobicContact CG-CE2 3.97Å; P406-Y466 HydrophobicContact CG-CG 4.41Å
407G95.1Very high95.1Very high40 Ų4051.7 Ų51.741%0.41226%0.264SS..THydrogen-bonded Turntrans86.5-10.6-178.100000115.5Q405 R462 A463Q405-G407 PolarHBondContact O-N 3.32Å; G407-R462 WeakPolarHBondContact O-CG 3.4Å; G407-A463 WeakPolarHBondContact CA-O 3.4Å; G407-A463 PolarHBondContact N-O 3.43Å
408D96.6Very high95.1Very high38 Ų3856.6 Ų56.620%0.20328%0.282CS..  trans-69.2135178.3-76.9-30.1000112.6K338 F404 Q405 P406 I410 R462 A463K338-D408 IonicContact NZ-OD1 2.71Å; K338-D408 PolarHBondContact NZ-OD1 2.65Å; K338-D408 IonicContact NZ-OD2 2.92Å; F404-D408 HydrophobicContact CD1-CB 4.47Å; Q405-D408 WeakPolarHBondContact CB-OD2 3.21Å; Q405-D408 PolarHBondContact N-OD2 3.32Å; Q405-D408 WeakPolarHBondContact O-CB 3.49Å; Q405-D408 PolarHBondContact O-N 3.38Å; Q405-D408 VanDerWaalsContact O-N 3.07Å; P406-D408 VanDerWaalsContact C-N 3.34Å; D408-I410 PolarHBondContact O-N 3.23Å; D408-R462 CarbonylContact O-C 3.54Å; D408-R462 VanDerWaalsContact O-CA 3.27Å; D408-R462 WeakPolarHBondContact O-CA 3.21Å; D408-R462 WeakPolarHBondContact O-CG 3.38Å; D408-A463 PolarHBondContact O-N 3.45Å
409Y96.6Very high95.2Very high96 Ų9656.7 Ų56.738%0.37628%0.282SS..EExtended strand (participates in β ladder)trans-85.296.9171.6-78.6-94000110.2I411 L431 V461 R462Y409-I411 VanDerWaalsContact C-N 3.32Å; Y409-L431 HydrophobicContact CE1-CD1 4.21Å; Y409-V461 CarbonylContact C-O 3.54Å; Y409-V461 WeakPolarHBondContact CA-O 3.31Å; Y409-R462 HydrophobicContact CD1-CB 4.36Å; Y409-R462 HydrophobicContact CD2-CG 4.33Å; Y409-R462 HydrophobicContact CE1-CB 4.37Å; Y409-R462 HydrophobicContact CE2-CG 4.34Å; Y409-R462 HydrophobicContact CG-CG 4.47Å
410I97.3Very high95.3Very high15 Ų1555.7 Ų55.78%0.07728%0.276CS..EExtended strand (participates in β ladder)trans-65.2-38.6175.3-54.7152000110.3F404 D408 Y421 V428 F446 V461 A463 L469F404-I410 HydrophobicContact CB-CG1 4.14Å; F404-I410 HydrophobicContact CD1-CG1 3.78Å; F404-I410 HydrophobicContact CD2-CG1 4.11Å; F404-I410 HydrophobicContact CE1-CB 4.48Å; F404-I410 HydrophobicContact CE1-CG1 4.2Å; F404-I410 HydrophobicContact CE1-CG2 4.26Å; F404-I410 HydrophobicContact CE2-CG1 4.5Å; F404-I410 HydrophobicContact CE2-CG2 4.15Å; F404-I410 HydrophobicContact CG-CD1 4.48Å; F404-I410 HydrophobicContact CG-CG1 3.73Å; F404-I410 HydrophobicContact CZ-CG2 4Å; D408-I410 PolarHBondContact O-N 3.23Å; I410-Y421 HydrophobicContact CG2-CD2 3.98Å; I410-Y421 HydrophobicContact CG2-CE1 4.31Å; I410-Y421 HydrophobicContact CG2-CE2 3.73Å; I410-Y421 HydrophobicContact CG2-CG 4.35Å; I410-V428 HydrophobicContact CD1-CB 4.48Å; I410-V428 HydrophobicContact CD1-CG1 3.59Å; I410-F446 HydrophobicContact CB-CE2 4.48Å; I410-F446 HydrophobicContact CD1-CZ 4.12Å; I410-F446 HydrophobicContact CG2-CE2 3.9Å; I410-F446 HydrophobicContact CG2-CZ 3.96Å; I410-V461 HydrophobicContact CD1-CG1 4.41Å; I410-V461 PolarHBondContact N-O 3.48Å; I410-A463 HydrophobicContact CD1-CB 4.11Å; I410-L469 HydrophobicContact CD1-CD1 3.98Å; I410-L469 HydrophobicContact CG1-CD1 4.44Å; I410-L469 HydrophobicContact CG2-CD1 4.12Å
411I96.9Very high95.5Very high9 Ų950.2 Ų50.25%0.04626%0.256CS..EExtended strand (participates in β ladder)trans-131.1141.2174.4-65.2-179.2000109.5Y409 Y421 F446 R457 A459 S460 V461Y409-I411 VanDerWaalsContact C-N 3.32Å; I411-Y421 HydrophobicContact CD1-CD2 4.27Å; I411-Y421 HydrophobicContact CD1-CE2 4.34Å; I411-Y421 HydrophobicContact CG1-CD2 4.49Å; I411-Y421 HydrophobicContact CG1-CE2 4.16Å; I411-F446 HydrophobicContact CD1-CD2 3.59Å; I411-F446 HydrophobicContact CD1-CE2 3.77Å; I411-F446 HydrophobicContact CG1-CD2 4.46Å; I411-F446 HydrophobicContact CG1-CE2 4.19Å; I411-R457 HydrophobicContact CG2-CB 3.88Å; I411-R457 HydrophobicContact CG2-CG 3.66Å; I411-A459 WeakPolarHBondContact CG2-O 3.3Å; I411-S460 CarbonylContact O-C 3.03Å; I411-S460 VanDerWaalsContact O-CA 3.31Å; I411-S460 WeakPolarHBondContact O-CA 3.38Å; I411-S460 WeakPolarHBondContact O-CB 3.24Å; I411-V461 HydrophobicContact CB-CB 4Å; I411-V461 HydrophobicContact CB-CG2 4.07Å; I411-V461 HydrophobicContact CD1-CG2 4.24Å; I411-V461 HydrophobicContact CG1-CB 4.49Å; I411-V461 PolarHBondContact N-O 3.09Å; I411-V461 VanDerWaalsContact N-O 3.13Å; I411-V461 PolarHBondContact O-N 3.3Å
412R95Very high95.5Very high139 Ų13948.1 Ų48.153%0.52525%0.247SC..  trans-115.4130.2170.9-61.5-177.2-176.1-80.53110.3T415 R457R412-T415 HydrophobicContact CB-CG2 3.85Å; R412-T415 WeakPolarHBondContact O-CB 3.1Å; R412-T415 PolarHBondContact O-N 3.01Å; R412-T415 PolarHBondContact O-OG1 2.83Å; R412-R457 WeakPolarHBondContact O-CB 3.24Å
413E93.3Very high95.5Very high49 Ų4946.1 Ų46.123%0.22924%0.238CC..THydrogen-bonded Turntrans-53.3143176-171-177.2-158.600111T415 K433 S460 K504E413-T415 PolarHBondContact O-N 2.99Å; E413-K433 WeakPolarHBondContact OE2-CD 3.41Å; E413-K433 VanDerWaalsContact OE2-CE 3.22Å; E413-K433 WeakPolarHBondContact OE2-CE 3.4Å; E413-K433 WeakPolarHBondContact OE2-CG 3.35Å; E413-S460 WeakPolarHBondContact CB-OG 3.32Å; E413-S460 PolarHBondContact N-OG 3.3Å; E413-K504 IonicContact OE1-NZ 3.36Å; E413-K504 PolarHBondContact OE1-NZ 2.96Å
414G92.2Very high95.4Very high30 Ų3048.2 Ų48.231%0.30925%0.247SC..THydrogen-bonded Turntrans77.8-8.4177.600000115.6R456 R457G414-R456 VanDerWaalsContact O-CD 3.29Å; G414-R456 WeakPolarHBondContact O-CD 3.24Å; G414-R456 PolarHBondContact O-NH1 3.35Å; G414-R457 PolarHBondContact N-O 2.85Å
415T94.3Very high95.3Very high59 Ų5951.2 Ų51.236%0.36226%0.261SS..SBendtrans-76.3164.9172.563.40000112.4R412 E413 R456 R457R412-T415 HydrophobicContact CB-CG2 3.85Å; R412-T415 WeakPolarHBondContact O-CB 3.1Å; R412-T415 PolarHBondContact O-N 3.01Å; R412-T415 PolarHBondContact O-OG1 2.83Å; E413-T415 PolarHBondContact O-N 2.99Å; T415-R456 CarbonylContact O-C 3.57Å; T415-R456 VanDerWaalsContact O-CA 3.31Å; T415-R456 WeakPolarHBondContact O-CA 3.43Å; T415-R457 WeakPolarHBondContact O-CG 3.28Å; T415-R457 PolarHBondContact O-N 3.21Å; T415-R457 WeakPolarHBondContact OG1-CG 3.46Å
416I93.6Very high95.1Very high123 Ų12350.8 Ų50.863%0.63126%0.26SS*.BIsolated β-bridgetrans-85.9125.1171.6-60.9173000108.2
417G90.4Very high95.1Very high11 Ų1149.4 Ų49.411%0.11325%0.25CS..PPolyproline II helixtrans-90.4129.317800000112.5
418K94.1Very high95.2Very high156 Ų15647.5 Ų47.568%0.67823%0.231SC*.  trans-109.8-3.5175-62.4-171.3176.1-170.60114.3V474K418-V474 PolarHBondContact O-N 3.03Å
419K95.7Very high95Very high64 Ų6446.1 Ų46.128%0.27822%0.224SC..EExtended strand (participates in β ladder)trans-146.4156.1-178.6-55.2-164.9-173.2-172.80111.7E402 R457 S471 L472E402-K419 IonicContact OE1-NZ 2.73Å; E402-K419 PolarHBondContact OE1-NZ 2.85Å; K419-R457 VanDerWaalsContact O-CZ 3.28Å; K419-R457 PolarHBondContact O-NH1 2.86Å; K419-R457 PolarHBondContact O-NH2 3.19Å; K419-S471 PolarHBondContact NZ-OG 2.71Å; K419-S471 VanDerWaalsContact NZ-OG 3.12Å; K419-L472 CarbonylContact C-O 3.52Å; K419-L472 WeakPolarHBondContact CA-O 3.4Å; K419-L472 VanDerWaalsContact CB-O 3.29Å; K419-L472 WeakPolarHBondContact CB-O 3.23Å
420M95.8Very high94.9Very high0 Ų042.2 Ų42.20%021%0.21CC..EExtended strand (participates in β ladder)trans-110.3169.1159.664.6176.6-68.600110.6F422 Y445 E448 L451 S471 L472 F477 F491M420-F422 HydrophobicContact CE-CE1 3.81Å; M420-F422 HydrophobicContact CE-CE2 3.92Å; M420-F422 HydrophobicContact CE-CZ 3.43Å; M420-F422 VanDerWaalsContact CE-CZ 3.43Å; M420-F422 HydrophobicContact CG-CE2 4.33Å; M420-F422 HydrophobicContact SD-CE2 4.33Å; M420-F422 HydrophobicContact SD-CZ 4.08Å; M420-Y445 HydrophobicContact CE-CD2 3.63Å; M420-Y445 HydrophobicContact CE-CE2 4.27Å; M420-Y445 HydrophobicContact CE-CG 4.43Å; M420-E448 HydrophobicContact CE-CB 4.22Å; M420-E448 HydrophobicContact SD-CB 4.45Å; M420-L451 HydrophobicContact CB-CD2 4.03Å; M420-L451 HydrophobicContact CG-CD2 3.98Å; M420-L451 HydrophobicContact SD-CD2 4.39Å; M420-S471 WeakPolarHBondContact O-CA 3.33Å; M420-L472 HydrophobicContact CG-CB 3.98Å; M420-L472 HydrophobicContact CG-CD2 4.46Å; M420-L472 PolarHBondContact N-O 3.05Å; M420-L472 PolarHBondContact O-N 2.92Å; M420-L472 HydrophobicContact SD-CD2 4.32Å; M420-F477 HydrophobicContact SD-CD2 3.54Å; M420-F477 VanDerWaalsContact SD-CD2 3.54Å; M420-F477 HydrophobicContact SD-CE2 3.4Å; M420-F477 WeakPolarHBondContact SD-CE2 3.29Å; M420-F477 HydrophobicContact SD-CG 4.41Å; M420-F477 HydrophobicContact SD-CZ 4.2Å; M420-F491 HydrophobicContact CE-CE1 3.9Å; M420-F491 HydrophobicContact CE-CZ 4.22Å
421Y97.6Very high94.6Very high22 Ų2244.1 Ų44.19%0.08622%0.22CC..EExtended strand (participates in β ladder)trans-133.7139.8-176.3-60.1-84.1000112.1E402 F404 I410 I411 Y445 F446 L469 Y470E402-Y421 WeakPolarHBondContact OE2-CE1 3.28Å; F404-Y421 HydrophobicContact CE2-CE1 4.31Å; F404-Y421 HydrophobicContact CZ-CE1 4.36Å; I410-Y421 HydrophobicContact CG2-CD2 3.98Å; I410-Y421 HydrophobicContact CG2-CE1 4.31Å; I410-Y421 HydrophobicContact CG2-CE2 3.73Å; I410-Y421 HydrophobicContact CG2-CG 4.35Å; I411-Y421 HydrophobicContact CD1-CD2 4.27Å; I411-Y421 HydrophobicContact CD1-CE2 4.34Å; I411-Y421 HydrophobicContact CG1-CD2 4.49Å; I411-Y421 HydrophobicContact CG1-CE2 4.16Å; Y421-Y445 CarbonylContact O-C 3.56Å; Y421-Y445 VanDerWaalsContact O-CA 3.28Å; Y421-Y445 WeakPolarHBondContact O-CA 3.24Å; Y421-Y445 WeakPolarHBondContact O-CB 3.39Å; Y421-F446 HydrophobicContact CD2-CD2 4.16Å; Y421-F446 AromaticContact CD2-CE2 3.52Å; Y421-F446 HydrophobicContact CD2-CE2 3.52Å; Y421-F446 HydrophobicContact CD2-CZ 4.06Å; Y421-F446 HydrophobicContact CE2-CE2 4.42Å; Y421-F446 AromaticContact CG-CE2 3.95Å; Y421-F446 HydrophobicContact CG-CE2 3.95Å; Y421-F446 HydrophobicContact CG-CZ 4.02Å; Y421-F446 PolarHBondContact N-O 3.1Å; Y421-F446 PolarHBondContact O-N 3.26Å; Y421-L469 HydrophobicContact CD1-CB 4.33Å; Y421-L469 HydrophobicContact CD1-CD1 4.1Å; Y421-L469 HydrophobicContact CG-CD1 4.32Å; Y421-Y470 CarbonylContact C-O 3.59Å; Y421-Y470 WeakPolarHBondContact CA-O 3.23Å
422F95.9Very high94.1Very high0 Ų044.5 Ų44.50%022%0.223CC..EExtended strand (participates in β ladder)trans-110.4135171.2-56.5-92.6000109L377 M381 F384 M395 L399 M420 Q424 Y445 L469 Y470 L472L377-F422 HydrophobicContact CD1-CB 4.17Å; L377-F422 HydrophobicContact CD2-CB 3.86Å; L377-F422 HydrophobicContact CD2-CG 4.49Å; M381-F422 HydrophobicContact CE-CD1 3.9Å; M381-F422 HydrophobicContact CE-CE1 3.61Å; M381-F422 HydrophobicContact SD-CD1 3.56Å; M381-F422 VanDerWaalsContact SD-CD1 3.56Å; M381-F422 HydrophobicContact SD-CE1 3.83Å; F384-F422 HydrophobicContact CE2-CD1 4.07Å; F384-F422 AromaticContact CE2-CE1 3.92Å; F384-F422 HydrophobicContact CE2-CE1 3.92Å; F384-F422 HydrophobicContact CZ-CD1 4.23Å; F384-F422 AromaticContact CZ-CE1 3.61Å; F384-F422 HydrophobicContact CZ-CE1 3.61Å; F384-F422 AromaticContact CZ-CZ 3.99Å; F384-F422 HydrophobicContact CZ-CZ 3.99Å; M395-F422 HydrophobicContact CE-CE2 4.48Å; M395-F422 HydrophobicContact CE-CZ 3.77Å; L399-F422 HydrophobicContact CD2-CD2 3.72Å; L399-F422 HydrophobicContact CD2-CE2 3.65Å; M420-F422 HydrophobicContact CE-CE1 3.81Å; M420-F422 HydrophobicContact CE-CE2 3.92Å; M420-F422 HydrophobicContact CE-CZ 3.43Å; M420-F422 VanDerWaalsContact CE-CZ 3.43Å; M420-F422 HydrophobicContact CG-CE2 4.33Å; M420-F422 HydrophobicContact SD-CE2 4.33Å; M420-F422 HydrophobicContact SD-CZ 4.08Å; F422-Q424 PolarHBondContact O-N 3.42Å; F422-Y445 HydrophobicContact CD1-CG 4.47Å; F422-L469 CarbonylContact O-C 3.59Å; F422-L469 VanDerWaalsContact O-CA 3.3Å; F422-L469 WeakPolarHBondContact O-CA 3.45Å; F422-Y470 PolarHBondContact N-O 3.48Å; F422-Y470 PolarHBondContact O-N 3.26Å; F422-L472 HydrophobicContact CE2-CB 4.01Å; F422-L472 HydrophobicContact CE2-CD2 4.1Å; F422-L472 HydrophobicContact CZ-CD2 4.38Å
423I95.8Very high93.3Very high0 Ų046.2 Ų46.20%023%0.234CC..EExtended strand (participates in β ladder)trans-90.2104.7-177.2-56.2168.4000109.1G426 V428 L440 G443 S444 F446 L469I423-G426 WeakPolarHBondContact CG2-O 3.44Å; I423-V428 HydrophobicContact CD1-CG2 3.72Å; I423-L440 HydrophobicContact CD1-CB 3.69Å; I423-G443 PolarHBondContact O-N 3.1Å; I423-S444 WeakPolarHBondContact CB-O 3.29Å; I423-S444 WeakPolarHBondContact CG1-O 3.49Å; I423-S444 PolarHBondContact N-O 3.45Å; I423-F446 HydrophobicContact CD1-CD1 3.98Å; I423-F446 HydrophobicContact CD1-CE1 3.93Å; I423-F446 HydrophobicContact CG1-CD1 4.08Å; I423-F446 HydrophobicContact CG1-CE1 3.75Å; I423-L469 HydrophobicContact CB-CD2 4.09Å; I423-L469 HydrophobicContact CG1-CD2 3.75Å; I423-L469 HydrophobicContact CG2-CD2 4.13Å
424Q94.1Very high92Very high50 Ų5048.2 Ų48.223%0.23427%0.268CS..EExtended strand (participates in β ladder)trans-76.1-41.8170.5-170.8-163.847.400110.5F422 R468 Y470F422-Q424 PolarHBondContact O-N 3.42Å; Q424-R468 WeakPolarHBondContact CB-O 3.33Å; Q424-R468 PolarHBondContact N-O 2.75Å; Q424-Y470 HydrophobicContact CB-CD2 4.07Å; Q424-Y470 HydrophobicContact CB-CE2 4Å; Q424-Y470 HydrophobicContact CG-CE2 4Å; Q424-Y470 PolarHBondContact NE2-OH 2.88Å
425H95.1Very high90.7Very high100 Ų10049 Ų4946%0.46327%0.268SS..EExtended strand (participates in β ladder)trans-155138.9176.4-170.255.2000112.4D442 C467 R468H425-D442 WeakPolarHBondContact CA-OD1 3.37Å; H425-D442 IonicContact CE1-OD2 2.88Å; H425-D442 IonicContact CG-OD2 3.9Å; H425-D442 IonicContact ND1-OD1 2.73Å; H425-D442 IonicContact ND1-OD2 3.35Å; H425-D442 PolarHBondContact ND1-OD2 3.2Å; H425-C467 CarbonylContact O-C 3.35Å; H425-C467 WeakPolarHBondContact O-CA 3.5Å; H425-R468 HydrophobicContact CB-CB 4.16Å; H425-R468 PolarHBondContact N-O 2.88Å; H425-R468 VanDerWaalsContact N-O 3.08Å; H425-R468 PolarHBondContact O-N 2.81Å
426G95.3Very high89.2Confident3 Ų351.1 Ų51.13%0.03128%0.277CS..  trans116.8176171.600000113.6I423 D442 T465I423-G426 WeakPolarHBondContact CG2-O 3.44Å; G426-D442 PolarHBondContact N-OD1 2.96Å; G426-T465 WeakPolarHBondContact CA-OG1 3.38Å
427V95.9Very high88.3Confident33 Ų3346 Ų4620%0.225%0.254CS..  trans-119.3129.6-175.7-175.20000110.1K439 L440 M441 D464 T465 C467V427-K439 HydrophobicContact CG1-CB 4.36Å; V427-K439 HydrophobicContact CG1-CD 4.09Å; V427-K439 HydrophobicContact CG1-CG 4.29Å; V427-L440 WeakPolarHBondContact CA-O 3.47Å; V427-M441 HydrophobicContact CG2-CG 4.29Å; V427-D464 PolarHBondContact O-N 3.06Å; V427-T465 HydrophobicContact CB-CG2 4.39Å; V427-T465 PolarHBondContact N-OG1 2.89Å; V427-T465 PolarHBondContact O-N 2.62Å; V427-C467 PolarHBondContact O-SG 3.15Å
428V96.7Very high88.1Confident0 Ų047.1 Ų47.10%026%0.257CS..EExtended strand (participates in β ladder)trans-119.9140.9174.1-55.80000110.9I410 I423 K439 L440 F446 V461 R462I410-V428 HydrophobicContact CD1-CB 4.48Å; I410-V428 HydrophobicContact CD1-CG1 3.59Å; I423-V428 HydrophobicContact CD1-CG2 3.72Å; V428-K439 WeakPolarHBondContact O-CA 3.09Å; V428-L440 HydrophobicContact CG2-CB 3.77Å; V428-L440 HydrophobicContact CG2-CD1 4.29Å; V428-L440 HydrophobicContact CG2-CG 4.38Å; V428-L440 PolarHBondContact N-O 3.16Å; V428-L440 PolarHBondContact O-N 3.41Å; V428-F446 HydrophobicContact CG1-CE1 4.39Å; V428-F446 HydrophobicContact CG2-CD1 4.19Å; V428-F446 HydrophobicContact CG2-CE1 3.94Å; V428-V461 HydrophobicContact CB-CG1 3.77Å; V428-V461 HydrophobicContact CG1-CG1 4.43Å; V428-V461 HydrophobicContact CG2-CG1 3.77Å; V428-R462 CarbonylContact C-O 3.48Å; V428-R462 VanDerWaalsContact CA-O 3.31Å; V428-R462 WeakPolarHBondContact CA-O 3.37Å
429S94.4Very high88Confident9 Ų943.1 Ų43.16%0.06324%0.239CC..EExtended strand (participates in β ladder)trans-97.2124171.3-85.30000110.4M438 V461 R462 D464S429-M438 WeakPolarHBondContact CA-O 3.38Å; S429-V461 WeakPolarHBondContact O-CA 3.35Å; S429-R462 PolarHBondContact N-O 2.92Å; S429-R462 PolarHBondContact O-N 3.07Å; S429-D464 WeakPolarHBondContact CB-OD2 3.45Å; S429-D464 PolarHBondContact OG-OD2 3.48Å
430V93.4Very high87.9Confident15 Ų1540.4 Ų40.49%0.09123%0.228CC..EExtended strand (participates in β ladder)trans-87121.7170-174.30000108.5G437 M438 L440 A459 V461V430-G437 WeakPolarHBondContact O-CA 3.27Å; V430-M438 HydrophobicContact CB-CB 4.38Å; V430-M438 HydrophobicContact CG1-CE 4.33Å; V430-M438 PolarHBondContact N-O 3.05Å; V430-M438 PolarHBondContact O-N 3.16Å; V430-L440 HydrophobicContact CG2-CD1 3.77Å; V430-L440 HydrophobicContact CG2-CG 3.99Å; V430-A459 HydrophobicContact CG1-CB 3.74Å; V430-V461 HydrophobicContact CG2-CG2 4.32Å
431L91.1Very high87.8Confident54 Ų5443.6 Ų43.628%0.28324%0.244SC..EExtended strand (participates in β ladder)trans-118.8119.2-172.3-56.3175.5000110Y409 S460 R462Y409-L431 HydrophobicContact CE1-CD1 4.21Å; L431-S460 PolarHBondContact N-O 3.43Å; L431-S460 PolarHBondContact O-N 3.41Å; L431-R462 HydrophobicContact CD1-CB 4.19Å
432T85.9Confident87.5Confident17 Ų1745.8 Ų45.810%0.10426%0.257CS..  trans-123.3145.3179.3-12.30000110.3G434 S435 A459 I502T432-G434 PolarHBondContact O-N 2.82Å; T432-S435 VanDerWaalsContact CB-OG 3.24Å; T432-S435 WeakPolarHBondContact CB-OG 3.35Å; T432-S435 PolarHBondContact O-N 3.46Å; T432-S435 PolarHBondContact OG1-OG 3.28Å; T432-A459 HydrophobicContact CG2-CB 4.1Å; T432-I502 HydrophobicContact CG2-CD1 4.42Å
433K77.9Confident87.2Confident175 Ų17545.9 Ų45.976%0.76126%0.258SS*.THydrogen-bonded Turntrans-65.5108.8174.7-67.4175.2-175.3-179.90110.3E413E413-K433 WeakPolarHBondContact OE2-CD 3.41Å; E413-K433 VanDerWaalsContact OE2-CE 3.22Å; E413-K433 WeakPolarHBondContact OE2-CE 3.4Å; E413-K433 WeakPolarHBondContact OE2-CG 3.35Å
434G66.9Low87.1Confident91 Ų9145.9 Ų45.994%0.93826%0.258SS*.THydrogen-bonded Turntrans90.95.9175.500000116T432T432-G434 PolarHBondContact O-N 2.82Å
435S64.3Low87.1Confident46 Ų4643.9 Ų43.932%0.32225%0.248SC..SBendtrans-109.5156170.283.80000111.4T432T432-S435 VanDerWaalsContact CB-OG 3.24Å; T432-S435 WeakPolarHBondContact CB-OG 3.35Å; T432-S435 PolarHBondContact O-N 3.46Å; T432-S435 PolarHBondContact OG1-OG 3.28Å
436I63.8Low87.1Confident105 Ų10539.4 Ų39.454%0.53823%0.227SC..  trans-60143.2162.4-62.7173.8000108.1V544I436-V544 WeakPolarHBondContact CG2-O 3.45Å
437G73.2Confident87.1Confident15 Ų1540 Ų4016%0.15523%0.233CC..  trans-70.8138.5177.700000111.3V430 V544V430-G437 WeakPolarHBondContact O-CA 3.27Å; G437-V544 WeakPolarHBondContact O-CB 3.28Å; G437-V544 WeakPolarHBondContact O-CG2 3.44Å; G437-V544 PolarHBondContact O-N 2.94Å
438M87.1Confident86.9Confident35 Ų3538.5 Ų38.517%0.17222%0.224CC..EExtended strand (participates in β ladder)trans-104.3143.3175.2-62.4-177.2-61.800109.8S429 V430 I502 V541S429-M438 WeakPolarHBondContact CA-O 3.38Å; V430-M438 HydrophobicContact CB-CB 4.38Å; V430-M438 HydrophobicContact CG1-CE 4.33Å; V430-M438 PolarHBondContact N-O 3.05Å; V430-M438 PolarHBondContact O-N 3.16Å; M438-I502 HydrophobicContact CE-CG2 3.45Å; M438-I502 VanDerWaalsContact CE-CG2 3.45Å; M438-V541 HydrophobicContact CB-CG1 3.97Å; M438-V541 HydrophobicContact CG-CG1 4.15Å; M438-V541 HydrophobicContact SD-CG1 3.85Å
439K91.9Very high86.7Confident71 Ų7139.2 Ų39.231%0.30923%0.228SC..EExtended strand (participates in β ladder)trans-104.1136.9173.5-77.5-178.3177-1700111.5V427 V428 D464 Q542 V544V427-K439 HydrophobicContact CG1-CB 4.36Å; V427-K439 HydrophobicContact CG1-CD 4.09Å; V427-K439 HydrophobicContact CG1-CG 4.29Å; V428-K439 WeakPolarHBondContact O-CA 3.09Å; K439-D464 WeakPolarHBondContact CE-OD2 3.42Å; K439-D464 IonicContact NZ-OD2 3.89Å; K439-Q542 PolarHBondContact N-O 3.23Å; K439-Q542 PolarHBondContact O-N 2.9Å; K439-V544 HydrophobicContact CB-CG2 4.44Å; K439-V544 HydrophobicContact CD-CG2 3.82Å; K439-V544 HydrophobicContact CG-CG2 3.68Å
440L93.5Very high86.6Confident8 Ų839.1 Ų39.14%0.04223%0.227CC..EExtended strand (participates in β ladder)trans-115.5144.2171.5-54.2177.5000108.9I423 V427 V428 V430 F446 V541I423-L440 HydrophobicContact CD1-CB 3.69Å; V427-L440 WeakPolarHBondContact CA-O 3.47Å; V428-L440 HydrophobicContact CG2-CB 3.77Å; V428-L440 HydrophobicContact CG2-CD1 4.29Å; V428-L440 HydrophobicContact CG2-CG 4.38Å; V428-L440 PolarHBondContact N-O 3.16Å; V428-L440 PolarHBondContact O-N 3.41Å; V430-L440 HydrophobicContact CG2-CD1 3.77Å; V430-L440 HydrophobicContact CG2-CG 3.99Å; L440-F446 HydrophobicContact CD1-CB 3.86Å; L440-F446 HydrophobicContact CD1-CD1 4.12Å; L440-F446 HydrophobicContact CD1-CG 4.33Å; L440-V541 HydrophobicContact CD2-CG2 3.69Å
441M93.1Very high86.5Confident67 Ų6738.6 Ų38.633%0.3322%0.223SC..  trans-128.7-177.7-176.4-54.6-168.1-59.900110.9V427 G443 S444V427-M441 HydrophobicContact CG2-CG 4.29Å; M441-G443 PolarHBondContact O-N 3.29Å; M441-S444 WeakPolarHBondContact O-CB 3.43Å; M441-S444 PolarHBondContact O-N 3.41Å; M441-S444 PolarHBondContact O-OG 2.83Å
442D92.8Very high86.4Confident68 Ų6836.9 Ų36.936%0.36421%0.214SC..THydrogen-bonded Turntrans-38.5127.9172.4-5926.7000112.6H425 G426 S444H425-D442 WeakPolarHBondContact CA-OD1 3.37Å; H425-D442 IonicContact CE1-OD2 2.88Å; H425-D442 IonicContact CG-OD2 3.9Å; H425-D442 IonicContact ND1-OD1 2.73Å; H425-D442 IonicContact ND1-OD2 3.35Å; H425-D442 PolarHBondContact ND1-OD2 3.2Å; G426-D442 PolarHBondContact N-OD1 2.96Å; D442-S444 VanDerWaalsContact C-N 3.33Å; D442-S444 PolarHBondContact O-N 3.3Å
443G89.6Confident86.4Confident1 Ų137.9 Ų37.91%0.0122%0.221CC..THydrogen-bonded Turntrans87.9-17.9-176.800000115.6S380 I423 M441S380-G443 WeakPolarHBondContact OG-CA 3.48Å; I423-G443 PolarHBondContact O-N 3.1Å; M441-G443 PolarHBondContact O-N 3.29Å
444S92.8Very high86.6Confident1 Ų139.3 Ų39.31%0.00722%0.221CC..  trans-76.8160.6170.7-62.10000112I423 M441 D442I423-S444 WeakPolarHBondContact CB-O 3.29Å; I423-S444 WeakPolarHBondContact CG1-O 3.49Å; I423-S444 PolarHBondContact N-O 3.45Å; M441-S444 WeakPolarHBondContact O-CB 3.43Å; M441-S444 PolarHBondContact O-N 3.41Å; M441-S444 PolarHBondContact O-OG 2.83Å; D442-S444 VanDerWaalsContact C-N 3.33Å; D442-S444 PolarHBondContact O-N 3.3Å
445Y94.4Very high87.5Confident8 Ų836.4 Ų36.43%0.03119%0.191CC..EExtended strand (participates in β ladder)trans-137157.1177.371.9-82.5000111.2M381 M420 Y421 F422 E448 F491 V494 R498M381-Y445 HydrophobicContact CE-CD1 3.21Å; M381-Y445 HydrophobicContact CE-CD2 4.45Å; M381-Y445 HydrophobicContact CE-CE1 3.59Å; M381-Y445 HydrophobicContact CE-CG 3.69Å; M381-Y445 HydrophobicContact SD-CD1 4.1Å; M420-Y445 HydrophobicContact CE-CD2 3.63Å; M420-Y445 HydrophobicContact CE-CE2 4.27Å; M420-Y445 HydrophobicContact CE-CG 4.43Å; Y421-Y445 CarbonylContact O-C 3.56Å; Y421-Y445 VanDerWaalsContact O-CA 3.28Å; Y421-Y445 WeakPolarHBondContact O-CA 3.24Å; Y421-Y445 WeakPolarHBondContact O-CB 3.39Å; F422-Y445 HydrophobicContact CD1-CG 4.47Å; Y445-E448 HydrophobicContact CE2-CB 4.15Å; Y445-E448 HydrophobicContact CE2-CG 3.84Å; Y445-F491 HydrophobicContact CD2-CE1 4.22Å; Y445-F491 AromaticContact CE2-CD1 3.89Å; Y445-F491 HydrophobicContact CE2-CD1 3.89Å; Y445-F491 AromaticContact CE2-CE1 3.64Å; Y445-F491 HydrophobicContact CE2-CE1 3.64Å; Y445-V494 VanDerWaalsContact OH-CG1 3.28Å; Y445-V494 WeakPolarHBondContact OH-CG1 3.16Å; Y445-R498 PolarHBondContact O-NH1 3.01Å; Y445-R498 PolarHBondContact O-NH2 2.64Å
446F95.3Very high88.8Confident6 Ų642.2 Ų42.23%0.02621%0.206CC..EExtended strand (participates in β ladder)trans-153.1156.6-17862.8-92.2000114.3I410 I411 Y421 I423 V428 L440 E448 V461 L469I410-F446 HydrophobicContact CB-CE2 4.48Å; I410-F446 HydrophobicContact CD1-CZ 4.12Å; I410-F446 HydrophobicContact CG2-CE2 3.9Å; I410-F446 HydrophobicContact CG2-CZ 3.96Å; I411-F446 HydrophobicContact CD1-CD2 3.59Å; I411-F446 HydrophobicContact CD1-CE2 3.77Å; I411-F446 HydrophobicContact CG1-CD2 4.46Å; I411-F446 HydrophobicContact CG1-CE2 4.19Å; Y421-F446 HydrophobicContact CD2-CD2 4.16Å; Y421-F446 AromaticContact CD2-CE2 3.52Å; Y421-F446 HydrophobicContact CD2-CE2 3.52Å; Y421-F446 HydrophobicContact CD2-CZ 4.06Å; Y421-F446 HydrophobicContact CE2-CE2 4.42Å; Y421-F446 AromaticContact CG-CE2 3.95Å; Y421-F446 HydrophobicContact CG-CE2 3.95Å; Y421-F446 HydrophobicContact CG-CZ 4.02Å; Y421-F446 PolarHBondContact N-O 3.1Å; Y421-F446 PolarHBondContact O-N 3.26Å; I423-F446 HydrophobicContact CD1-CD1 3.98Å; I423-F446 HydrophobicContact CD1-CE1 3.93Å; I423-F446 HydrophobicContact CG1-CD1 4.08Å; I423-F446 HydrophobicContact CG1-CE1 3.75Å; V428-F446 HydrophobicContact CG1-CE1 4.39Å; V428-F446 HydrophobicContact CG2-CD1 4.19Å; V428-F446 HydrophobicContact CG2-CE1 3.94Å; L440-F446 HydrophobicContact CD1-CB 3.86Å; L440-F446 HydrophobicContact CD1-CD1 4.12Å; L440-F446 HydrophobicContact CD1-CG 4.33Å; F446-E448 VanDerWaalsContact C-OE2 3.24Å; F446-E448 VanDerWaalsContact CA-OE2 3.3Å; F446-E448 WeakPolarHBondContact CA-OE2 3.27Å; F446-V461 HydrophobicContact CD2-CB 4.26Å; F446-V461 HydrophobicContact CD2-CG1 4.05Å; F446-V461 HydrophobicContact CD2-CG2 3.91Å; F446-V461 HydrophobicContact CE1-CG1 4.38Å; F446-V461 HydrophobicContact CE2-CB 4.1Å; F446-V461 HydrophobicContact CE2-CG1 3.78Å; F446-V461 HydrophobicContact CE2-CG2 4.26Å; F446-V461 HydrophobicContact CG-CG1 4.46Å; F446-V461 HydrophobicContact CZ-CG1 3.96Å; F446-L469 HydrophobicContact CE1-CD1 4.4Å; F446-L469 HydrophobicContact CZ-CD1 3.91Å
447G94.2Very high90.2Very high14 Ų1438.2 Ų38.214%0.14418%0.184CC..  trans97.40174.400000115I449 C450 R457G447-I449 VanDerWaalsContact C-N 3.35Å; G447-I449 PolarHBondContact O-N 2.81Å; G447-C450 PolarHBondContact O-SG 3.29Å; G447-R457 PolarHBondContact O-NH1 3.39Å
448E93.6Very high91.1Very high3 Ų339.2 Ų39.21%0.01419%0.187CC..Hα-helixtrans-56.8-39.7177.471.6-68.7168.100113.4M420 Y445 F446 C450 L451 L452 F491 R498M420-E448 HydrophobicContact CE-CB 4.22Å; M420-E448 HydrophobicContact SD-CB 4.45Å; Y445-E448 HydrophobicContact CE2-CB 4.15Å; Y445-E448 HydrophobicContact CE2-CG 3.84Å; F446-E448 VanDerWaalsContact C-OE2 3.24Å; F446-E448 VanDerWaalsContact CA-OE2 3.3Å; F446-E448 WeakPolarHBondContact CA-OE2 3.27Å; E448-C450 VanDerWaalsContact C-N 3.25Å; E448-C450 PolarHBondContact O-N 3.47Å; E448-C450 VanDerWaalsContact O-N 3.09Å; E448-L451 WeakPolarHBondContact O-CB 3.04Å; E448-L451 PolarHBondContact O-N 3.3Å; E448-L452 PolarHBondContact O-N 3.49Å; E448-L452 VanDerWaalsContact O-N 3.16Å; E448-F491 HydrophobicContact CB-CD1 4.42Å; E448-R498 WeakPolarHBondContact OE1-CD 3.08Å; E448-R498 IonicContact OE1-CZ 2.99Å; E448-R498 IonicContact OE1-NE 3.45Å; E448-R498 IonicContact OE1-NH1 3.32Å; E448-R498 PolarHBondContact OE1-NH1 3.41Å; E448-R498 IonicContact OE2-NH1 2.67Å; E448-R498 PolarHBondContact OE2-NH1 3.34Å; E448-R498 VanDerWaalsContact OE2-NH1 3.14Å
449I92.4Very high91.4Very high15 Ų1538 Ų388%0.07718%0.183CC..Hα-helixtrans-54.8-40.2-170.4-61.1164000112G447 T453 T458 A495 R498 L499G447-I449 VanDerWaalsContact C-N 3.35Å; G447-I449 PolarHBondContact O-N 2.81Å; I449-T453 HydrophobicContact CG2-CG2 4.3Å; I449-T453 WeakPolarHBondContact O-CB 3.44Å; I449-T453 VanDerWaalsContact O-CG2 3.29Å; I449-T453 WeakPolarHBondContact O-CG2 3.25Å; I449-T453 PolarHBondContact O-N 3.24Å; I449-T453 PolarHBondContact O-OG1 3.08Å; I449-T458 HydrophobicContact CG2-CG2 4.15Å; I449-A495 HydrophobicContact CG1-CB 3.9Å; I449-R498 HydrophobicContact CD1-CB 4.43Å; I449-L499 HydrophobicContact CD1-CD2 4.45Å; I449-L499 HydrophobicContact CD1-CG 4.25Å; I449-L499 HydrophobicContact CG2-CD1 4.14Å; I449-L499 HydrophobicContact CG2-CD2 4.29Å; I449-L499 HydrophobicContact CG2-CG 4.28Å
450C91.6Very high91.5Very high7 Ų735.6 Ų35.65%0.04718%0.175CC..Hα-helixtrans-78.3-23-178.869.20000114.1G447 E448 R454 G455 R457G447-C450 PolarHBondContact O-SG 3.29Å; E448-C450 VanDerWaalsContact C-N 3.25Å; E448-C450 PolarHBondContact O-N 3.47Å; E448-C450 VanDerWaalsContact O-N 3.09Å; C450-R454 VanDerWaalsContact O-CA 3.28Å; C450-R454 WeakPolarHBondContact O-CA 3.46Å; C450-R454 PolarHBondContact O-N 2.99Å; C450-G455 PolarHBondContact O-N 3.49Å; C450-R457 VanDerWaalsContact SG-CD 3.6Å; C450-R457 PolarHBondContact SG-NH1 3.18Å
451L91.3Very high91.6Very high3 Ų335.6 Ų35.62%0.01618%0.175CC..Hα-helixtrans-71.4-43.8173.6-84.258.4000109.3M420 E448 V474 F477M420-L451 HydrophobicContact CB-CD2 4.03Å; M420-L451 HydrophobicContact CG-CD2 3.98Å; M420-L451 HydrophobicContact SD-CD2 4.39Å; E448-L451 WeakPolarHBondContact O-CB 3.04Å; E448-L451 PolarHBondContact O-N 3.3Å; L451-V474 HydrophobicContact CB-CG2 4.45Å; L451-V474 HydrophobicContact CD2-CB 4.34Å; L451-V474 HydrophobicContact CG-CB 3.94Å; L451-V474 HydrophobicContact CG-CG2 3.94Å; L451-F477 HydrophobicContact CB-CD1 3.84Å; L451-F477 HydrophobicContact CB-CE1 3.77Å; L451-F477 HydrophobicContact CD2-CB 3.97Å; L451-F477 HydrophobicContact CD2-CD1 3.73Å; L451-F477 HydrophobicContact CD2-CD2 4.45Å; L451-F477 HydrophobicContact CD2-CE1 4.23Å; L451-F477 HydrophobicContact CD2-CG 3.82Å; L451-F477 HydrophobicContact CG-CD1 4.3Å
452L89.4Confident91.8Very high18 Ų1836.3 Ų36.39%0.09417%0.174CC..Hα-helixtrans-67.9-46.7177.7-61.5168.7000112.8E448 F477 F491 E492 A495E448-L452 PolarHBondContact O-N 3.49Å; E448-L452 VanDerWaalsContact O-N 3.16Å; L452-F477 HydrophobicContact CD2-CE1 3.81Å; L452-F477 HydrophobicContact CD2-CZ 3.95Å; L452-F477 HydrophobicContact CG-CE1 4.27Å; L452-F477 HydrophobicContact CG-CZ 4.36Å; L452-F491 HydrophobicContact CD1-CB 4.15Å; L452-F491 HydrophobicContact CD2-CB 4.38Å; L452-E492 HydrophobicContact CD1-CG 4.06Å; L452-E492 HydrophobicContact CD2-CG 3.84Å; L452-E492 HydrophobicContact CG-CG 4.37Å; L452-A495 HydrophobicContact CD1-CB 3.76Å
453T86Confident92Very high39 Ų3933.1 Ų33.124%0.23916%0.157CC..Hα-helixtrans-85.9-7.4-175.259.50000114.2I449 G455 N506 L509I449-T453 HydrophobicContact CG2-CG2 4.3Å; I449-T453 WeakPolarHBondContact O-CB 3.44Å; I449-T453 VanDerWaalsContact O-CG2 3.29Å; I449-T453 WeakPolarHBondContact O-CG2 3.25Å; I449-T453 PolarHBondContact O-N 3.24Å; I449-T453 PolarHBondContact O-OG1 3.08Å; T453-G455 PolarHBondContact O-N 3.4Å; T453-G455 VanDerWaalsContact O-N 3.09Å; T453-G455 PolarHBondContact OG1-N 3.41Å; T453-N506 VanDerWaalsContact CG2-ND2 3.33Å; T453-N506 WeakPolarHBondContact CG2-ND2 3.46Å; T453-L509 HydrophobicContact CG2-CB 4.25Å; T453-L509 HydrophobicContact CG2-CD1 4.25Å; T453-L509 HydrophobicContact CG2-CD2 3.98Å; T453-L509 HydrophobicContact CG2-CG 4.4Å
454R81.6Confident92.3Very high205 Ų20535 Ų3577%0.77417%0.167SC*.  trans51.325.5-168.8-59.4-179.8175.3175-2.6113.4C450C450-R454 VanDerWaalsContact O-CA 3.28Å; C450-R454 WeakPolarHBondContact O-CA 3.46Å; C450-R454 PolarHBondContact O-N 2.99Å
455G85.5Confident92.5Very high29 Ų2937.7 Ų37.730%0.29918%0.183SC..  trans-100-168.4-173.400000114.8C450 T453C450-G455 PolarHBondContact O-N 3.49Å; T453-G455 PolarHBondContact O-N 3.4Å; T453-G455 VanDerWaalsContact O-N 3.09Å; T453-G455 PolarHBondContact OG1-N 3.41Å
456R91.8Very high92.7Very high169 Ų16940.5 Ų40.564%0.63819%0.194SC*.BIsolated β-bridgetrans-84.3155.6172.5-70.8173.4179.4-95.62.6111.3G414 T415 T458G414-R456 VanDerWaalsContact O-CD 3.29Å; G414-R456 WeakPolarHBondContact O-CD 3.24Å; G414-R456 PolarHBondContact O-NH1 3.35Å; T415-R456 CarbonylContact O-C 3.57Å; T415-R456 VanDerWaalsContact O-CA 3.31Å; T415-R456 WeakPolarHBondContact O-CA 3.43Å; R456-T458 PolarHBondContact O-N 2.93Å
457R94.2Very high92.8Very high21 Ų2140.2 Ų40.28%0.07919%0.193CC..  trans-58.9127.7176.2-64.9-70.5-159-171.46.1110.8I411 R412 G414 T415 K419 G447 C450I411-R457 HydrophobicContact CG2-CB 3.88Å; I411-R457 HydrophobicContact CG2-CG 3.66Å; R412-R457 WeakPolarHBondContact O-CB 3.24Å; G414-R457 PolarHBondContact N-O 2.85Å; T415-R457 WeakPolarHBondContact O-CG 3.28Å; T415-R457 PolarHBondContact O-N 3.21Å; T415-R457 WeakPolarHBondContact OG1-CG 3.46Å; K419-R457 VanDerWaalsContact O-CZ 3.28Å; K419-R457 PolarHBondContact O-NH1 2.86Å; K419-R457 PolarHBondContact O-NH2 3.19Å; G447-R457 PolarHBondContact O-NH1 3.39Å; C450-R457 VanDerWaalsContact SG-CD 3.6Å; C450-R457 PolarHBondContact SG-NH1 3.18Å
458T91.6Very high92.9Very high36 Ų3643.7 Ų43.722%0.22120%0.202CC..SBendtrans-84.8-19.2-173.547.80000114.4I449 R456 L499 K504I449-T458 HydrophobicContact CG2-CG2 4.15Å; R456-T458 PolarHBondContact O-N 2.93Å; T458-L499 HydrophobicContact CG2-CD2 3.99Å; T458-K504 PolarHBondContact O-NZ 2.88Å
459A92.4Very high93.1Very high10 Ų1043.6 Ų43.68%0.08320%0.201CC..SBendtrans-144.6165.8175.900000109.7I411 V430 T432I411-A459 WeakPolarHBondContact CG2-O 3.3Å; V430-A459 HydrophobicContact CG1-CB 3.74Å; T432-A459 HydrophobicContact CG2-CB 4.1Å
460S94.3Very high93.3Very high20 Ų2043.9 Ų43.914%0.1420%0.202CC..EExtended strand (participates in β ladder)trans-90.8150.5164.7-57.80000109.3I411 E413 L431I411-S460 CarbonylContact O-C 3.03Å; I411-S460 VanDerWaalsContact O-CA 3.31Å; I411-S460 WeakPolarHBondContact O-CA 3.38Å; I411-S460 WeakPolarHBondContact O-CB 3.24Å; E413-S460 WeakPolarHBondContact CB-OG 3.32Å; E413-S460 PolarHBondContact N-OG 3.3Å; L431-S460 PolarHBondContact N-O 3.43Å; L431-S460 PolarHBondContact O-N 3.41Å
461V96.4Very high93.6Very high7 Ų743.7 Ų43.74%0.04220%0.2CC..EExtended strand (participates in β ladder)trans-128.8125174.1-175.30000108.1Y409 I410 I411 V428 S429 V430 F446Y409-V461 CarbonylContact C-O 3.54Å; Y409-V461 WeakPolarHBondContact CA-O 3.31Å; I410-V461 HydrophobicContact CD1-CG1 4.41Å; I410-V461 PolarHBondContact N-O 3.48Å; I411-V461 HydrophobicContact CB-CB 4Å; I411-V461 HydrophobicContact CB-CG2 4.07Å; I411-V461 HydrophobicContact CD1-CG2 4.24Å; I411-V461 HydrophobicContact CG1-CB 4.49Å; I411-V461 PolarHBondContact N-O 3.09Å; I411-V461 VanDerWaalsContact N-O 3.13Å; I411-V461 PolarHBondContact O-N 3.3Å; V428-V461 HydrophobicContact CB-CG1 3.77Å; V428-V461 HydrophobicContact CG1-CG1 4.43Å; V428-V461 HydrophobicContact CG2-CG1 3.77Å; S429-V461 WeakPolarHBondContact O-CA 3.35Å; V430-V461 HydrophobicContact CG2-CG2 4.32Å; F446-V461 HydrophobicContact CD2-CB 4.26Å; F446-V461 HydrophobicContact CD2-CG1 4.05Å; F446-V461 HydrophobicContact CD2-CG2 3.91Å; F446-V461 HydrophobicContact CE1-CG1 4.38Å; F446-V461 HydrophobicContact CE2-CB 4.1Å; F446-V461 HydrophobicContact CE2-CG1 3.78Å; F446-V461 HydrophobicContact CE2-CG2 4.26Å; F446-V461 HydrophobicContact CG-CG1 4.46Å; F446-V461 HydrophobicContact CZ-CG1 3.96Å
462R96.3Very high93.8Very high83 Ų8343.6 Ų43.631%0.31320%0.2SC..EExtended strand (participates in β ladder)trans-119.8135.6-178.5-166.5-16770-172.7-2.5110.1G407 D408 Y409 V428 S429 L431 D464G407-R462 WeakPolarHBondContact O-CG 3.4Å; D408-R462 CarbonylContact O-C 3.54Å; D408-R462 VanDerWaalsContact O-CA 3.27Å; D408-R462 WeakPolarHBondContact O-CA 3.21Å; D408-R462 WeakPolarHBondContact O-CG 3.38Å; Y409-R462 HydrophobicContact CD1-CB 4.36Å; Y409-R462 HydrophobicContact CD2-CG 4.33Å; Y409-R462 HydrophobicContact CE1-CB 4.37Å; Y409-R462 HydrophobicContact CE2-CG 4.34Å; Y409-R462 HydrophobicContact CG-CG 4.47Å; V428-R462 CarbonylContact C-O 3.48Å; V428-R462 VanDerWaalsContact CA-O 3.31Å; V428-R462 WeakPolarHBondContact CA-O 3.37Å; S429-R462 PolarHBondContact N-O 2.92Å; S429-R462 PolarHBondContact O-N 3.07Å; L431-R462 HydrophobicContact CD1-CB 4.19Å; R462-D464 IonicContact CZ-OD1 2.64Å; R462-D464 IonicContact NE-OD1 2.75Å; R462-D464 PolarHBondContact NE-OD1 3.4Å; R462-D464 IonicContact NH2-OD1 3.54Å; R462-D464 PolarHBondContact NH2-OD1 3.4Å
463A97.6Very high94.2Very high0 Ų044 Ų440%020%0.204CC..EExtended strand (participates in β ladder)trans-66.8131.3169.100000110.4F404 Q405 G407 D408 I410F404-A463 HydrophobicContact CB-CB 4.42Å; Q405-A463 WeakPolarHBondContact O-CB 3.4Å; G407-A463 WeakPolarHBondContact CA-O 3.4Å; G407-A463 PolarHBondContact N-O 3.43Å; D408-A463 PolarHBondContact O-N 3.45Å; I410-A463 HydrophobicContact CD1-CB 4.11Å
464D96.2Very high94.7Very high40 Ų4043.7 Ų43.721%0.21420%0.202CC..SBendtrans-99-28.5170.5-72.7-20.5000111.4V427 S429 K439 R462V427-D464 PolarHBondContact O-N 3.06Å; S429-D464 WeakPolarHBondContact CB-OD2 3.45Å; S429-D464 PolarHBondContact OG-OD2 3.48Å; K439-D464 WeakPolarHBondContact CE-OD2 3.42Å; K439-D464 IonicContact NZ-OD2 3.89Å; R462-D464 IonicContact CZ-OD1 2.64Å; R462-D464 IonicContact NE-OD1 2.75Å; R462-D464 PolarHBondContact NE-OD1 3.4Å; R462-D464 IonicContact NH2-OD1 3.54Å; R462-D464 PolarHBondContact NH2-OD1 3.4Å
465T97Very high95.3Very high58 Ų5839.5 Ų39.536%0.35620%0.195SC..SBendtrans-122.3179.7171.865.60000110.9G426 V427 C467G426-T465 WeakPolarHBondContact CA-OG1 3.38Å; V427-T465 HydrophobicContact CB-CG2 4.39Å; V427-T465 PolarHBondContact N-OG1 2.89Å; V427-T465 PolarHBondContact O-N 2.62Å; T465-C467 PolarHBondContact O-N 3.25Å; T465-C467 VanDerWaalsContact O-N 3.13Å; T465-C467 PolarHBondContact O-SG 3.36Å
466Y97.6Very high95.9Very high68 Ų6840 Ų4027%0.26719%0.191SC..  trans-62.3112.8166-80.8-85.5000109.6H345 F404 Q405 P406H345-Y466 HydrophobicContact CB-CD1 4.08Å; H345-Y466 HydrophobicContact CB-CE1 4.1Å; H345-Y466 AromaticContact CD2-CD1 3.52Å; H345-Y466 AromaticContact CD2-CD2 4Å; H345-Y466 AromaticContact CD2-CE1 3.67Å; H345-Y466 AromaticContact CD2-CG 3.68Å; H345-Y466 AromaticContact CE1-CE1 3.84Å; H345-Y466 AromaticContact CE1-CE2 3.91Å; H345-Y466 AromaticContact CE1-CZ 3.57Å; H345-Y466 AromaticContact CG-CD1 3.68Å; H345-Y466 AromaticContact CG-CE1 3.53Å; H345-Y466 AromaticContact ND1-CE1 3.62Å; H345-Y466 AromaticContact ND1-CZ 3.79Å; H345-Y466 AromaticContact NE2-CD2 3.79Å; H345-Y466 AromaticContact NE2-CE1 3.88Å; H345-Y466 AromaticContact NE2-CE2 3.65Å; H345-Y466 AromaticContact NE2-CG 3.98Å; H345-Y466 AromaticContact NE2-CZ 3.7Å; F404-Y466 WeakPolarHBondContact O-CA 3.49Å; Q405-Y466 HydrophobicContact CB-CE1 4.15Å; Q405-Y466 HydrophobicContact CG-CD1 4.36Å; Q405-Y466 HydrophobicContact CG-CE1 3.8Å; P406-Y466 HydrophobicContact CG-CD2 3.89Å; P406-Y466 HydrophobicContact CG-CE2 3.97Å; P406-Y466 HydrophobicContact CG-CG 4.41Å
467C97.8Very high96Very high0 Ų032 Ų320%016%0.161CC..EExtended strand (participates in β ladder)trans-102.1128.9-175.5-64.30000110.4V403 F404 H425 V427 T465 L469V403-C467 CarbonylContact C-O 3.53Å; V403-C467 VanDerWaalsContact CA-O 3.32Å; V403-C467 WeakPolarHBondContact CA-O 3.44Å; F404-C467 HydrophobicContact CB-CB 4.39Å; F404-C467 PolarHBondContact N-O 3.39Å; F404-C467 PolarHBondContact O-N 3.08Å; H425-C467 CarbonylContact O-C 3.35Å; H425-C467 WeakPolarHBondContact O-CA 3.5Å; V427-C467 PolarHBondContact O-SG 3.15Å; T465-C467 PolarHBondContact O-N 3.25Å; T465-C467 VanDerWaalsContact O-N 3.13Å; T465-C467 PolarHBondContact O-SG 3.36Å; C467-L469 HydrophobicContact CB-CD2 4.12Å; C467-L469 HydrophobicContact CB-CG 4.19Å
468R97.1Very high96Very high87 Ų8732 Ų3233%0.32816%0.163SC..EExtended strand (participates in β ladder)trans-105.3112.2170-61.6-177.8-177.5-170.9-0.6107.7Q348 F401 V403 Q424 H425Q348-R468 VanDerWaalsContact NE2-NH2 3.14Å; F401-R468 HydrophobicContact CE2-CB 3.93Å; F401-R468 HydrophobicContact CE2-CG 4.4Å; F401-R468 HydrophobicContact CZ-CB 4.2Å; F401-R468 HydrophobicContact CZ-CG 4.18Å; V403-R468 HydrophobicContact CG2-CG 4.49Å; Q424-R468 WeakPolarHBondContact CB-O 3.33Å; Q424-R468 PolarHBondContact N-O 2.75Å; H425-R468 HydrophobicContact CB-CB 4.16Å; H425-R468 PolarHBondContact N-O 2.88Å; H425-R468 VanDerWaalsContact N-O 3.08Å; H425-R468 PolarHBondContact O-N 2.81Å
469L97.1Very high96.2Very high0 Ų034.2 Ų34.20%017%0.17CC..EExtended strand (participates in β ladder)trans-121.3150.3-171.7-54.1-175.8000110.1E402 F404 I410 Y421 F422 I423 F446 C467E402-L469 PolarHBondContact N-O 3.24Å; E402-L469 PolarHBondContact O-N 3.28Å; E402-L469 VanDerWaalsContact O-O 3.11Å; F404-L469 HydrophobicContact CD2-CD1 3.62Å; F404-L469 HydrophobicContact CD2-CG 4.18Å; F404-L469 HydrophobicContact CE2-CD1 3.8Å; I410-L469 HydrophobicContact CD1-CD1 3.98Å; I410-L469 HydrophobicContact CG1-CD1 4.44Å; I410-L469 HydrophobicContact CG2-CD1 4.12Å; Y421-L469 HydrophobicContact CD1-CB 4.33Å; Y421-L469 HydrophobicContact CD1-CD1 4.1Å; Y421-L469 HydrophobicContact CG-CD1 4.32Å; F422-L469 CarbonylContact O-C 3.59Å; F422-L469 VanDerWaalsContact O-CA 3.3Å; F422-L469 WeakPolarHBondContact O-CA 3.45Å; I423-L469 HydrophobicContact CB-CD2 4.09Å; I423-L469 HydrophobicContact CG1-CD2 3.75Å; I423-L469 HydrophobicContact CG2-CD2 4.13Å; F446-L469 HydrophobicContact CE1-CD1 4.4Å; F446-L469 HydrophobicContact CZ-CD1 3.91Å; C467-L469 HydrophobicContact CB-CD2 4.12Å; C467-L469 HydrophobicContact CB-CG 4.19Å
470Y96.9Very high96.3Very high22 Ų2233.9 Ų33.99%0.08617%0.167CC..EExtended strand (participates in β ladder)trans-102.6124.9160.9-75.1-76.6000109.1L377 L399 R400 F401 Y421 F422 Q424L377-Y470 HydrophobicContact CD2-CD2 3.97Å; L399-Y470 HydrophobicContact CB-CD1 3.85Å; L399-Y470 HydrophobicContact CB-CG 4.23Å; L399-Y470 HydrophobicContact CD1-CD1 4.32Å; L399-Y470 HydrophobicContact CD1-CG 4.01Å; R400-Y470 CarbonylContact O-C 3.59Å; R400-Y470 WeakPolarHBondContact O-CA 3.33Å; F401-Y470 HydrophobicContact CB-CD1 4.22Å; F401-Y470 HydrophobicContact CB-CE1 3.9Å; F401-Y470 HydrophobicContact CD2-CE1 4.09Å; F401-Y470 HydrophobicContact CG-CE1 4.5Å; Y421-Y470 CarbonylContact C-O 3.59Å; Y421-Y470 WeakPolarHBondContact CA-O 3.23Å; F422-Y470 PolarHBondContact N-O 3.48Å; F422-Y470 PolarHBondContact O-N 3.26Å; Q424-Y470 HydrophobicContact CB-CD2 4.07Å; Q424-Y470 HydrophobicContact CB-CE2 4Å; Q424-Y470 HydrophobicContact CG-CE2 4Å; Q424-Y470 PolarHBondContact NE2-OH 2.88Å
471S97.3Very high96.3Very high2 Ų233 Ų331%0.01416%0.161CC..EExtended strand (participates in β ladder)trans-96.4143.1174.7800000111.1R400 E402 K419 M420R400-S471 PolarHBondContact N-O 3.16Å; R400-S471 PolarHBondContact O-N 3.26Å; E402-S471 WeakPolarHBondContact OE1-CB 3.36Å; E402-S471 PolarHBondContact OE1-OG 3.01Å; K419-S471 PolarHBondContact NZ-OG 2.71Å; K419-S471 VanDerWaalsContact NZ-OG 3.12Å; M420-S471 WeakPolarHBondContact O-CA 3.33Å
472L96.9Very high96.1Very high1 Ų139 Ų391%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-126.1129175.2-177.962.8000108.8M395 K398 L399 K419 M420 F422 N476 F477M395-L472 HydrophobicContact CE-CD2 3.47Å; M395-L472 VanDerWaalsContact CE-CD2 3.47Å; M395-L472 HydrophobicContact SD-CD2 3.9Å; K398-L472 HydrophobicContact CB-CD1 3.78Å; L399-L472 HydrophobicContact CD2-CB 3.9Å; L399-L472 HydrophobicContact CD2-CD1 4.3Å; L399-L472 HydrophobicContact CD2-CG 4.49Å; K419-L472 CarbonylContact C-O 3.52Å; K419-L472 WeakPolarHBondContact CA-O 3.4Å; K419-L472 VanDerWaalsContact CB-O 3.29Å; K419-L472 WeakPolarHBondContact CB-O 3.23Å; M420-L472 HydrophobicContact CG-CB 3.98Å; M420-L472 HydrophobicContact CG-CD2 4.46Å; M420-L472 PolarHBondContact N-O 3.05Å; M420-L472 PolarHBondContact O-N 2.92Å; M420-L472 HydrophobicContact SD-CD2 4.32Å; F422-L472 HydrophobicContact CE2-CB 4.01Å; F422-L472 HydrophobicContact CE2-CD2 4.1Å; F422-L472 HydrophobicContact CZ-CD2 4.38Å; L472-N476 HydrophobicContact CD1-CB 3.74Å; L472-F477 HydrophobicContact CD2-CB 4.04Å; L472-F477 HydrophobicContact CD2-CD2 3.87Å; L472-F477 HydrophobicContact CD2-CG 4.46Å; L472-F477 HydrophobicContact CG-CB 4.21Å
473S97.1Very high96Very high26 Ų2641 Ų4118%0.18220%0.201CC..EExtended strand (participates in β ladder)trans-71.2155.517962.60000111.9D475 N476 F477S473-D475 PolarHBondContact O-N 2.66Å; S473-N476 VanDerWaalsContact OG-CB 3.3Å; S473-N476 WeakPolarHBondContact OG-CB 3.27Å; S473-N476 PolarHBondContact OG-N 3.02Å; S473-N476 PolarHBondContact OG-ND2 3Å; S473-N476 PolarHBondContact OG-OD1 3.01Å; S473-N476 VanDerWaalsContact OG-OD1 3.09Å; S473-F477 WeakPolarHBondContact O-CB 3.47Å; S473-F477 PolarHBondContact O-N 3.21Å
474V95.4Very high95.7Very high34 Ų3443.7 Ų43.721%0.20621%0.212CC..Hα-helixtrans-59.4-34.217360.30000112.1K418 L451 N478K418-V474 PolarHBondContact O-N 3.03Å; L451-V474 HydrophobicContact CB-CG2 4.45Å; L451-V474 HydrophobicContact CD2-CB 4.34Å; L451-V474 HydrophobicContact CG-CB 3.94Å; L451-V474 HydrophobicContact CG-CG2 3.94Å; V474-N478 WeakPolarHBondContact CG2-ND2 3.47Å; V474-N478 PolarHBondContact O-N 3.27Å; V474-N478 PolarHBondContact O-ND2 3.32Å
475D95.8Very high95.4Very high116 Ų11645 Ų4562%0.6222%0.222SC*.Hα-helixtrans-70.5-53.7-177.9-47-61.8000110.3S473 F477 N478 E479S473-D475 PolarHBondContact O-N 2.66Å; D475-F477 VanDerWaalsContact C-N 3.26Å; D475-F477 PolarHBondContact O-N 2.96Å; D475-N478 PolarHBondContact O-N 3.44Å; D475-N478 VanDerWaalsContact O-N 3.14Å; D475-E479 WeakPolarHBondContact O-CB 3.08Å; D475-E479 PolarHBondContact O-N 3.47Å
476N96.3Very high94.9Very high41 Ų4144.7 Ų44.722%0.21922%0.217CC..Hα-helixtrans-61-34.8176.1-609.2000112K398 L472 S473 V480K398-N476 HydrophobicContact CB-CB 3.99Å; K398-N476 HydrophobicContact CD-CB 4.16Å; K398-N476 HydrophobicContact CG-CB 4.29Å; K398-N476 PolarHBondContact O-ND2 2.73Å; L472-N476 HydrophobicContact CD1-CB 3.74Å; S473-N476 VanDerWaalsContact OG-CB 3.3Å; S473-N476 WeakPolarHBondContact OG-CB 3.27Å; S473-N476 PolarHBondContact OG-N 3.02Å; S473-N476 PolarHBondContact OG-ND2 3Å; S473-N476 PolarHBondContact OG-OD1 3.01Å; S473-N476 VanDerWaalsContact OG-OD1 3.09Å; N476-V480 WeakPolarHBondContact O-CG2 3.23Å; N476-V480 PolarHBondContact O-N 3.29Å; N476-V480 VanDerWaalsContact O-N 3.12Å
477F95.2Very high94.5Very high1 Ų141.7 Ų41.70%0.00421%0.206CC..Hα-helixtrans-67.7-39.7176.6177.7-103000112.4M420 L451 L452 L472 S473 D475 L481 F491M420-F477 HydrophobicContact SD-CD2 3.54Å; M420-F477 VanDerWaalsContact SD-CD2 3.54Å; M420-F477 HydrophobicContact SD-CE2 3.4Å; M420-F477 WeakPolarHBondContact SD-CE2 3.29Å; M420-F477 HydrophobicContact SD-CG 4.41Å; M420-F477 HydrophobicContact SD-CZ 4.2Å; L451-F477 HydrophobicContact CB-CD1 3.84Å; L451-F477 HydrophobicContact CB-CE1 3.77Å; L451-F477 HydrophobicContact CD2-CB 3.97Å; L451-F477 HydrophobicContact CD2-CD1 3.73Å; L451-F477 HydrophobicContact CD2-CD2 4.45Å; L451-F477 HydrophobicContact CD2-CE1 4.23Å; L451-F477 HydrophobicContact CD2-CG 3.82Å; L451-F477 HydrophobicContact CG-CD1 4.3Å; L452-F477 HydrophobicContact CD2-CE1 3.81Å; L452-F477 HydrophobicContact CD2-CZ 3.95Å; L452-F477 HydrophobicContact CG-CE1 4.27Å; L452-F477 HydrophobicContact CG-CZ 4.36Å; L472-F477 HydrophobicContact CD2-CB 4.04Å; L472-F477 HydrophobicContact CD2-CD2 3.87Å; L472-F477 HydrophobicContact CD2-CG 4.46Å; L472-F477 HydrophobicContact CG-CB 4.21Å; S473-F477 WeakPolarHBondContact O-CB 3.47Å; S473-F477 PolarHBondContact O-N 3.21Å; D475-F477 VanDerWaalsContact C-N 3.26Å; D475-F477 PolarHBondContact O-N 2.96Å; F477-L481 HydrophobicContact CD1-CD1 4Å; F477-L481 HydrophobicContact CD2-CD1 3.98Å; F477-L481 HydrophobicContact CD2-CG 4.44Å; F477-L481 HydrophobicContact CE1-CD1 3.53Å; F477-L481 HydrophobicContact CE2-CD1 3.49Å; F477-L481 VanDerWaalsContact CE2-CD1 3.49Å; F477-L481 HydrophobicContact CE2-CG 4.33Å; F477-L481 HydrophobicContact CG-CD1 4.24Å; F477-L481 HydrophobicContact CZ-CD1 3.26Å; F477-L481 HydrophobicContact CZ-CG 4.48Å; F477-L481 VanDerWaalsContact O-CB 3.26Å; F477-L481 WeakPolarHBondContact O-CB 3.43Å; F477-L481 VanDerWaalsContact O-CG 3.24Å; F477-L481 WeakPolarHBondContact O-CG 3.31Å; F477-L481 PolarHBondContact O-N 3.03Å; F477-L481 VanDerWaalsContact O-N 3.14Å; F477-F491 AromaticContact CE2-CD2 3.91Å; F477-F491 HydrophobicContact CE2-CD2 3.91Å; F477-F491 HydrophobicContact CE2-CE1 4.29Å; F477-F491 AromaticContact CE2-CE2 3.64Å; F477-F491 HydrophobicContact CE2-CE2 3.64Å; F477-F491 HydrophobicContact CE2-CG 4.33Å; F477-F491 AromaticContact CE2-CZ 3.83Å; F477-F491 HydrophobicContact CE2-CZ 3.83Å; F477-F491 HydrophobicContact CZ-CD2 4.11Å; F477-F491 HydrophobicContact CZ-CE2 4.31Å; F477-F491 HydrophobicContact CZ-CG 4.25Å
478N93.8Very high94.1Very high21 Ų2144.1 Ų44.111%0.11222%0.215CC..Hα-helixtrans-70.9-42.2175.1-74.3-65.8000111.2V474 D475 V480 L481 E482V474-N478 WeakPolarHBondContact CG2-ND2 3.47Å; V474-N478 PolarHBondContact O-N 3.27Å; V474-N478 PolarHBondContact O-ND2 3.32Å; D475-N478 PolarHBondContact O-N 3.44Å; D475-N478 VanDerWaalsContact O-N 3.14Å; N478-V480 PolarHBondContact O-N 2.98Å; N478-L481 CarbonylContact O-C 3.59Å; N478-L481 PolarHBondContact O-N 3.05Å; N478-E482 WeakPolarHBondContact O-CB 3.19Å; N478-E482 VanDerWaalsContact O-CG 3.31Å; N478-E482 WeakPolarHBondContact O-CG 3.47Å; N478-E482 PolarHBondContact O-N 3.21Å
479E95.4Very high93.7Very high81 Ų8142.3 Ų42.338%0.37921%0.208SC..Hα-helixtrans-49.8-57.7174.9-176.9-171.7-178.300111.2K398 D475 L481 E482 E483K398-E479 IonicContact NZ-OE1 3.54Å; K398-E479 PolarHBondContact NZ-OE1 3.11Å; K398-E479 IonicContact NZ-OE2 2.81Å; K398-E479 PolarHBondContact NZ-OE2 3.27Å; D475-E479 WeakPolarHBondContact O-CB 3.08Å; D475-E479 PolarHBondContact O-N 3.47Å; E479-L481 PolarHBondContact O-N 2.81Å; E479-E482 PolarHBondContact O-N 2.93Å; E479-E483 PolarHBondContact O-N 3.13Å
480V95.4Very high93.2Very high3 Ų342.3 Ų42.32%0.01821%0.208CC..Hα-helixtrans-68.3-33.6-179.1-178.10000112.4F391 A394 M395 N476 N478 E482 E483 Y484F391-V480 HydrophobicContact CD2-CG1 3.74Å; F391-V480 HydrophobicContact CE2-CG1 3.83Å; A394-V480 HydrophobicContact CB-CG1 4.2Å; A394-V480 HydrophobicContact CB-CG2 4.39Å; M395-V480 HydrophobicContact CG-CG1 3.93Å; M395-V480 HydrophobicContact SD-CB 4.11Å; M395-V480 HydrophobicContact SD-CG1 3.82Å; N476-V480 WeakPolarHBondContact O-CG2 3.23Å; N476-V480 PolarHBondContact O-N 3.29Å; N476-V480 VanDerWaalsContact O-N 3.12Å; N478-V480 PolarHBondContact O-N 2.98Å; V480-E482 VanDerWaalsContact C-N 3.33Å; V480-E482 PolarHBondContact O-N 3.33Å; V480-E483 PolarHBondContact O-N 3.13Å; V480-Y484 HydrophobicContact CG1-CD2 4.03Å; V480-Y484 WeakPolarHBondContact O-CD2 3.48Å; V480-Y484 PolarHBondContact O-N 3.41Å
481L93.2Very high93Very high1 Ų141.3 Ų41.31%0.00520%0.204CC..Hα-helixtrans-81.6-7.2178.4-69-171.6000115F391 F477 N478 E479 M487 R488 F491F391-L481 HydrophobicContact CE2-CD2 4.06Å; F477-L481 HydrophobicContact CD1-CD1 4Å; F477-L481 HydrophobicContact CD2-CD1 3.98Å; F477-L481 HydrophobicContact CD2-CG 4.44Å; F477-L481 HydrophobicContact CE1-CD1 3.53Å; F477-L481 HydrophobicContact CE2-CD1 3.49Å; F477-L481 VanDerWaalsContact CE2-CD1 3.49Å; F477-L481 HydrophobicContact CE2-CG 4.33Å; F477-L481 HydrophobicContact CG-CD1 4.24Å; F477-L481 HydrophobicContact CZ-CD1 3.26Å; F477-L481 HydrophobicContact CZ-CG 4.48Å; F477-L481 VanDerWaalsContact O-CB 3.26Å; F477-L481 WeakPolarHBondContact O-CB 3.43Å; F477-L481 VanDerWaalsContact O-CG 3.24Å; F477-L481 WeakPolarHBondContact O-CG 3.31Å; F477-L481 PolarHBondContact O-N 3.03Å; F477-L481 VanDerWaalsContact O-N 3.14Å; N478-L481 CarbonylContact O-C 3.59Å; N478-L481 PolarHBondContact O-N 3.05Å; E479-L481 PolarHBondContact O-N 2.81Å; L481-M487 HydrophobicContact CD2-CB 3.92Å; L481-R488 HydrophobicContact CB-CB 4.12Å; L481-R488 HydrophobicContact CB-CG 4.3Å; L481-R488 HydrophobicContact CD1-CB 4.22Å; L481-R488 HydrophobicContact CD1-CG 4.17Å; L481-R488 HydrophobicContact CD2-CB 4.28Å; L481-R488 HydrophobicContact CG-CB 4.46Å; L481-F491 HydrophobicContact CD1-CD2 3.84Å; L481-F491 HydrophobicContact CD1-CE2 4.28Å; L481-F491 HydrophobicContact CD2-CD2 4.06Å; L481-F491 HydrophobicContact CD2-CE2 4.18Å
482E93.1Very high92.7Very high133 Ų13341.4 Ų41.462%0.62121%0.205SC*.Hα-helixtrans-81.5-34166.6-77.9170.2-164.100110.8N478 E479 V480N478-E482 WeakPolarHBondContact O-CB 3.19Å; N478-E482 VanDerWaalsContact O-CG 3.31Å; N478-E482 WeakPolarHBondContact O-CG 3.47Å; N478-E482 PolarHBondContact O-N 3.21Å; E479-E482 PolarHBondContact O-N 2.93Å; V480-E482 VanDerWaalsContact C-N 3.33Å; V480-E482 PolarHBondContact O-N 3.33Å
483E93.7Very high92.3Very high125 Ų12543.1 Ų43.158%0.58422%0.215SC*.Hα-helixtrans-72.8-39.3170.3-64.3-179.9177.800112.8E479 V480 P485E479-E483 PolarHBondContact O-N 3.13Å; V480-E483 PolarHBondContact O-N 3.13Å; E483-P485 VanDerWaalsContact C-CD 3.44Å; E483-P485 WeakPolarHBondContact O-CD 3.36Å
484Y92.3Very high91.9Very high58 Ų5841.9 Ų41.923%0.22721%0.206CC..  trans-11672-175.4-62.6-86.8000112.9N390 F391 V480 M486 M487 R488N390-Y484 VanDerWaalsContact CB-OH 3.28Å; N390-Y484 WeakPolarHBondContact CB-OH 3.47Å; F391-Y484 HydrophobicContact CB-CD1 3.73Å; F391-Y484 HydrophobicContact CB-CD2 4.09Å; F391-Y484 HydrophobicContact CB-CE1 3.76Å; F391-Y484 HydrophobicContact CB-CE2 4.15Å; F391-Y484 HydrophobicContact CB-CG 3.89Å; F391-Y484 HydrophobicContact CD2-CD1 4.38Å; F391-Y484 AromaticContact CD2-CD2 3.77Å; F391-Y484 HydrophobicContact CD2-CD2 3.77Å; F391-Y484 HydrophobicContact CD2-CE2 4.49Å; F391-Y484 AromaticContact CD2-CG 3.7Å; F391-Y484 HydrophobicContact CD2-CG 3.7Å; F391-Y484 HydrophobicContact CG-CD1 4.43Å; F391-Y484 HydrophobicContact CG-CD2 4.42Å; F391-Y484 HydrophobicContact CG-CG 4.19Å; V480-Y484 HydrophobicContact CG1-CD2 4.03Å; V480-Y484 WeakPolarHBondContact O-CD2 3.48Å; V480-Y484 PolarHBondContact O-N 3.41Å; Y484-M486 VanDerWaalsContact C-N 3.26Å; Y484-M486 PolarHBondContact O-N 3.27Å; Y484-M487 PolarHBondContact O-N 3.37Å; Y484-R488 PolarHBondContact O-N 3.15Å
485P88.8Confident91.7Very high67 Ų6740.2 Ų40.244%0.43520%0.197SC..Hα-helixtrans-65.6-22.6-173.826.1-35.8000114.4E483 R488 R489E483-P485 VanDerWaalsContact C-CD 3.44Å; E483-P485 WeakPolarHBondContact O-CD 3.36Å; P485-R488 WeakPolarHBondContact O-CB 3.33Å; P485-R488 PolarHBondContact O-N 2.9Å; P485-R489 WeakPolarHBondContact O-CG 3.47Å; P485-R489 PolarHBondContact O-N 2.91Å
486M86.3Confident91.4Very high51 Ų5136.3 Ų36.325%0.25118%0.175SC..Hα-helixtrans-67.4-42.3175.5-168.1-83.5-78.500111.2Y484 R488 R489 A490 E526 M529Y484-M486 VanDerWaalsContact C-N 3.26Å; Y484-M486 PolarHBondContact O-N 3.27Å; M486-R488 VanDerWaalsContact C-N 3.29Å; M486-R488 PolarHBondContact O-N 2.87Å; M486-R489 WeakPolarHBondContact O-CB 3.25Å; M486-R489 PolarHBondContact O-N 3.45Å; M486-R489 VanDerWaalsContact O-N 3.16Å; M486-A490 PolarHBondContact O-N 2.73Å; M486-A490 VanDerWaalsContact O-N 3.13Å; M486-E526 HydrophobicContact CG-CG 4.36Å; M486-E526 WeakPolarHBondContact CG-OE1 3.39Å; M486-M529 HydrophobicContact CE-SD 4.04Å
487M89.5Confident91Very high6 Ų635.3 Ų35.33%0.0317%0.17CC..Hα-helixtrans-65.1-31.6173.1-72.2-67.1100.800112.7L383 A387 F391 L481 Y484 R489 A490 F491L383-M487 HydrophobicContact CD1-SD 3.93Å; L383-M487 HydrophobicContact CG-SD 4.12Å; A387-M487 HydrophobicContact CB-CE 4.5Å; A387-M487 HydrophobicContact CB-SD 3.92Å; F391-M487 HydrophobicContact CD1-CG 3.82Å; F391-M487 HydrophobicContact CD1-SD 4.18Å; F391-M487 HydrophobicContact CD2-CB 4.33Å; F391-M487 HydrophobicContact CD2-CG 4.05Å; F391-M487 HydrophobicContact CE1-CB 4.23Å; F391-M487 HydrophobicContact CE1-CG 3.6Å; F391-M487 HydrophobicContact CE1-SD 3.72Å; F391-M487 HydrophobicContact CE2-CB 3.79Å; F391-M487 HydrophobicContact CE2-CG 3.86Å; F391-M487 HydrophobicContact CG-CG 4.02Å; F391-M487 HydrophobicContact CZ-CB 3.72Å; F391-M487 HydrophobicContact CZ-CG 3.63Å; F391-M487 HydrophobicContact CZ-SD 4.13Å; L481-M487 HydrophobicContact CD2-CB 3.92Å; Y484-M487 PolarHBondContact O-N 3.37Å; M487-R489 VanDerWaalsContact C-N 3.34Å; M487-R489 PolarHBondContact O-N 3Å; M487-A490 HydrophobicContact CE-CB 4.3Å; M487-A490 PolarHBondContact O-N 2.9Å; M487-F491 WeakPolarHBondContact O-CD2 3.5Å; M487-F491 PolarHBondContact O-N 3.46Å
488R90.4Very high90.8Very high51 Ų5136.5 Ų36.519%0.19217%0.174CC..Hα-helixtrans-60-44.1172.3-169.6177-168136.311.8111.6L481 Y484 P485 M486 F491 E492L481-R488 HydrophobicContact CB-CB 4.12Å; L481-R488 HydrophobicContact CB-CG 4.3Å; L481-R488 HydrophobicContact CD1-CB 4.22Å; L481-R488 HydrophobicContact CD1-CG 4.17Å; L481-R488 HydrophobicContact CD2-CB 4.28Å; L481-R488 HydrophobicContact CG-CB 4.46Å; Y484-R488 PolarHBondContact O-N 3.15Å; P485-R488 WeakPolarHBondContact O-CB 3.33Å; P485-R488 PolarHBondContact O-N 2.9Å; M486-R488 VanDerWaalsContact C-N 3.29Å; M486-R488 PolarHBondContact O-N 2.87Å; R488-F491 PolarHBondContact O-N 2.87Å; R488-E492 IonicContact NE-OE1 3.46Å; R488-E492 WeakPolarHBondContact O-CG 3.18Å; R488-E492 PolarHBondContact O-N 3.43Å
489R87.1Confident90.5Very high49 Ų4935.9 Ų35.919%0.18517%0.171CC..Hα-helixtrans-64.5-41.9176.8-61.7171.6-162.6158.93.1111.5P485 M486 M487 F491 E492 T493 F522 I530P485-R489 WeakPolarHBondContact O-CG 3.47Å; P485-R489 PolarHBondContact O-N 2.91Å; M486-R489 WeakPolarHBondContact O-CB 3.25Å; M486-R489 PolarHBondContact O-N 3.45Å; M486-R489 VanDerWaalsContact O-N 3.16Å; M487-R489 VanDerWaalsContact C-N 3.34Å; M487-R489 PolarHBondContact O-N 3Å; R489-F491 PolarHBondContact O-N 3.37Å; R489-E492 PolarHBondContact O-N 3.35Å; R489-E492 VanDerWaalsContact O-N 3.16Å; R489-T493 PolarHBondContact O-N 2.74Å; R489-T493 PolarHBondContact O-OG1 2.97Å; R489-T493 VanDerWaalsContact O-OG1 3.12Å; R489-F522 HydrophobicContact CB-CE1 4.12Å; R489-F522 HydrophobicContact CB-CZ 4.26Å; R489-F522 HydrophobicContact CG-CE1 4.35Å; R489-F522 HydrophobicContact CG-CZ 4.24Å; R489-I530 HydrophobicContact CB-CD1 4.32Å
490A88.3Confident90Very high0 Ų036.2 Ų36.20%018%0.175CC..Hα-helixtrans-57.9-47.1175.300000112L383 M486 M487 E492 T493 V494 I530 I533L383-A490 HydrophobicContact CD1-CB 3.84Å; M486-A490 PolarHBondContact O-N 2.73Å; M486-A490 VanDerWaalsContact O-N 3.13Å; M487-A490 HydrophobicContact CE-CB 4.3Å; M487-A490 PolarHBondContact O-N 2.9Å; A490-E492 PolarHBondContact O-N 3.16Å; A490-T493 PolarHBondContact O-N 2.68Å; A490-V494 WeakPolarHBondContact O-CG2 3.4Å; A490-V494 PolarHBondContact O-N 3.43Å; A490-V494 VanDerWaalsContact O-N 3.08Å; A490-I530 HydrophobicContact CB-CG1 4.09Å; A490-I533 HydrophobicContact CB-CD1 4.27Å
491F91Very high89.5Confident0 Ų039.9 Ų39.90%019%0.189CC..Hα-helixtrans-60.4-41.4173.2-85.3-61.5000113L383 M395 M420 Y445 E448 L452 F477 L481 M487 R488 R489 A495L383-F491 HydrophobicContact CD2-CD1 4.11Å; L383-F491 HydrophobicContact CD2-CD2 4.17Å; L383-F491 HydrophobicContact CD2-CE1 3.46Å; L383-F491 VanDerWaalsContact CD2-CE1 3.46Å; L383-F491 HydrophobicContact CD2-CE2 3.55Å; L383-F491 HydrophobicContact CD2-CG 4.44Å; L383-F491 HydrophobicContact CD2-CZ 3.15Å; M395-F491 HydrophobicContact CE-CE2 4.4Å; M395-F491 HydrophobicContact CE-CZ 4.26Å; M420-F491 HydrophobicContact CE-CE1 3.9Å; M420-F491 HydrophobicContact CE-CZ 4.22Å; Y445-F491 HydrophobicContact CD2-CE1 4.22Å; Y445-F491 AromaticContact CE2-CD1 3.89Å; Y445-F491 HydrophobicContact CE2-CD1 3.89Å; Y445-F491 AromaticContact CE2-CE1 3.64Å; Y445-F491 HydrophobicContact CE2-CE1 3.64Å; E448-F491 HydrophobicContact CB-CD1 4.42Å; L452-F491 HydrophobicContact CD1-CB 4.15Å; L452-F491 HydrophobicContact CD2-CB 4.38Å; F477-F491 AromaticContact CE2-CD2 3.91Å; F477-F491 HydrophobicContact CE2-CD2 3.91Å; F477-F491 HydrophobicContact CE2-CE1 4.29Å; F477-F491 AromaticContact CE2-CE2 3.64Å; F477-F491 HydrophobicContact CE2-CE2 3.64Å; F477-F491 HydrophobicContact CE2-CG 4.33Å; F477-F491 AromaticContact CE2-CZ 3.83Å; F477-F491 HydrophobicContact CE2-CZ 3.83Å; F477-F491 HydrophobicContact CZ-CD2 4.11Å; F477-F491 HydrophobicContact CZ-CE2 4.31Å; F477-F491 HydrophobicContact CZ-CG 4.25Å; L481-F491 HydrophobicContact CD1-CD2 3.84Å; L481-F491 HydrophobicContact CD1-CE2 4.28Å; L481-F491 HydrophobicContact CD2-CD2 4.06Å; L481-F491 HydrophobicContact CD2-CE2 4.18Å; M487-F491 WeakPolarHBondContact O-CD2 3.5Å; M487-F491 PolarHBondContact O-N 3.46Å; R488-F491 PolarHBondContact O-N 2.87Å; R489-F491 PolarHBondContact O-N 3.37Å; F491-A495 WeakPolarHBondContact O-CB 3.4Å; F491-A495 PolarHBondContact O-N 2.88Å
492E90.9Very high89Confident4 Ų440.8 Ų40.82%0.01919%0.193CC..Hα-helixtrans-66.7-39.8178.8-71177.7-177.800112.5L452 R488 R489 A490 A495 I496 L509 K512 V513L452-E492 HydrophobicContact CD1-CG 4.06Å; L452-E492 HydrophobicContact CD2-CG 3.84Å; L452-E492 HydrophobicContact CG-CG 4.37Å; R488-E492 IonicContact NE-OE1 3.46Å; R488-E492 WeakPolarHBondContact O-CG 3.18Å; R488-E492 PolarHBondContact O-N 3.43Å; R489-E492 PolarHBondContact O-N 3.35Å; R489-E492 VanDerWaalsContact O-N 3.16Å; A490-E492 PolarHBondContact O-N 3.16Å; E492-A495 PolarHBondContact O-N 2.99Å; E492-I496 WeakPolarHBondContact O-CG1 3.43Å; E492-I496 PolarHBondContact O-N 3.11Å; E492-I496 VanDerWaalsContact O-N 3.07Å; E492-L509 HydrophobicContact CB-CD1 4.42Å; E492-L509 HydrophobicContact CG-CD1 4.12Å; E492-K512 IonicContact OE1-NZ 2.67Å; E492-K512 PolarHBondContact OE1-NZ 2.71Å; E492-K512 IonicContact OE2-NZ 3.63Å; E492-K512 PolarHBondContact OE2-NZ 3.43Å; E492-V513 HydrophobicContact CB-CG2 3.88Å
493T88.7Confident88.4Confident37 Ų3737.7 Ų37.723%0.22720%0.197CC..Hα-helixtrans-67.4-45.2176.3-55.10000112R489 A490 A495 I496 D497 I530 V534R489-T493 PolarHBondContact O-N 2.74Å; R489-T493 PolarHBondContact O-OG1 2.97Å; R489-T493 VanDerWaalsContact O-OG1 3.12Å; A490-T493 PolarHBondContact O-N 2.68Å; T493-A495 VanDerWaalsContact C-N 3.3Å; T493-A495 PolarHBondContact O-N 2.59Å; T493-I496 PolarHBondContact O-N 2.97Å; T493-D497 PolarHBondContact O-N 3.17Å; T493-D497 VanDerWaalsContact O-N 3.1Å; T493-I530 HydrophobicContact CG2-CG2 3.74Å; T493-V534 HydrophobicContact CG2-CG2 3.92Å
494V89.8Confident87.9Confident0 Ų034.6 Ų34.60%018%0.182CC..Hα-helixtrans-63.2-38.5175.51770000111Y445 A490 I496 D497 R498 I533 V534 D537Y445-V494 VanDerWaalsContact OH-CG1 3.28Å; Y445-V494 WeakPolarHBondContact OH-CG1 3.16Å; A490-V494 WeakPolarHBondContact O-CG2 3.4Å; A490-V494 PolarHBondContact O-N 3.43Å; A490-V494 VanDerWaalsContact O-N 3.08Å; V494-I496 VanDerWaalsContact C-N 3.34Å; V494-I496 PolarHBondContact O-N 3.2Å; V494-D497 PolarHBondContact O-N 3.04Å; V494-R498 HydrophobicContact CG1-CG 4.2Å; V494-R498 WeakPolarHBondContact O-CB 3.45Å; V494-R498 VanDerWaalsContact O-CG 3.28Å; V494-R498 WeakPolarHBondContact O-CG 3.44Å; V494-R498 PolarHBondContact O-N 2.88Å; V494-I533 HydrophobicContact CG2-CG2 3.82Å; V494-V534 HydrophobicContact CG2-CG2 3.8Å; V494-D537 HydrophobicContact CG1-CB 4.29Å
495A90.3Very high87.4Confident0 Ų038.7 Ų38.70%020%0.201CC..Hα-helixtrans-62.2-36.7175.300000113.2I449 L452 F491 E492 T493 L499 L509I449-A495 HydrophobicContact CG1-CB 3.9Å; L452-A495 HydrophobicContact CD1-CB 3.76Å; F491-A495 WeakPolarHBondContact O-CB 3.4Å; F491-A495 PolarHBondContact O-N 2.88Å; E492-A495 PolarHBondContact O-N 2.99Å; T493-A495 VanDerWaalsContact C-N 3.3Å; T493-A495 PolarHBondContact O-N 2.59Å; A495-L499 WeakPolarHBondContact O-CB 3.34Å; A495-L499 VanDerWaalsContact O-CG 3.25Å; A495-L499 WeakPolarHBondContact O-CG 3.5Å; A495-L499 PolarHBondContact O-N 2.69Å; A495-L509 HydrophobicContact CB-CD2 4.09Å
496I89.6Confident87.1Confident34 Ų3437.5 Ų37.517%0.17419%0.191CC..Hα-helixtrans-68.2-47.1175-70167.6000111.1E492 T493 V494 R498 L499 D500 L509 M510 V513E492-I496 WeakPolarHBondContact O-CG1 3.43Å; E492-I496 PolarHBondContact O-N 3.11Å; E492-I496 VanDerWaalsContact O-N 3.07Å; T493-I496 PolarHBondContact O-N 2.97Å; V494-I496 VanDerWaalsContact C-N 3.34Å; V494-I496 PolarHBondContact O-N 3.2Å; I496-R498 VanDerWaalsContact C-N 3.35Å; I496-R498 PolarHBondContact O-N 2.89Å; I496-L499 WeakPolarHBondContact O-CB 3.5Å; I496-L499 PolarHBondContact O-N 2.78Å; I496-D500 PolarHBondContact O-N 3.4Å; I496-L509 HydrophobicContact CD1-CG 4.21Å; I496-L509 HydrophobicContact CG1-CD2 3.76Å; I496-L509 HydrophobicContact CG1-CG 3.95Å; I496-M510 HydrophobicContact CD1-CG 4.33Å; I496-M510 HydrophobicContact CG1-CG 4.27Å; I496-M510 HydrophobicContact CG2-CG 4.02Å; I496-M510 HydrophobicContact CG2-SD 4.44Å; I496-V513 HydrophobicContact CD1-CB 3.61Å; I496-V513 HydrophobicContact CD1-CG1 4.06Å; I496-V513 HydrophobicContact CD1-CG2 3.52Å
497D88.9Confident86.9Confident19 Ų1939.2 Ų39.210%0.10221%0.208CC..Hα-helixtrans-61.3-42.5178.3174.891.6000112T493 V494 L499 D500 R501 V534 R538T493-D497 PolarHBondContact O-N 3.17Å; T493-D497 VanDerWaalsContact O-N 3.1Å; V494-D497 PolarHBondContact O-N 3.04Å; D497-L499 VanDerWaalsContact C-N 3.34Å; D497-L499 PolarHBondContact O-N 3.38Å; D497-D500 PolarHBondContact O-N 3.01Å; D497-R501 PolarHBondContact O-N 3.39Å; D497-R501 IonicContact OD2-CZ 3.59Å; D497-R501 IonicContact OD2-NE 2.75Å; D497-R501 PolarHBondContact OD2-NE 3.24Å; D497-R501 IonicContact OD2-NH2 3.35Å; D497-R501 PolarHBondContact OD2-NH2 3.35Å; D497-V534 HydrophobicContact CB-CG1 4.05Å; D497-R538 IonicContact OD1-CZ 3.45Å; D497-R538 IonicContact OD1-NE 3.64Å; D497-R538 PolarHBondContact OD1-NE 3.01Å; D497-R538 IonicContact OD1-NH2 3.92Å; D497-R538 PolarHBondContact OD1-NH2 3.49Å; D497-R538 IonicContact OD2-NE 3.71Å
498R89.6Confident86.5Confident26 Ų2645.4 Ų45.410%0.09824%0.24CC..Hα-helixtrans-63.8-36.5174.3-73.7173.8169.7-154.9-5.2112.8Y445 E448 I449 V494 I496 I502 D537Y445-R498 PolarHBondContact O-NH1 3.01Å; Y445-R498 PolarHBondContact O-NH2 2.64Å; E448-R498 WeakPolarHBondContact OE1-CD 3.08Å; E448-R498 IonicContact OE1-CZ 2.99Å; E448-R498 IonicContact OE1-NE 3.45Å; E448-R498 IonicContact OE1-NH1 3.32Å; E448-R498 PolarHBondContact OE1-NH1 3.41Å; E448-R498 IonicContact OE2-NH1 2.67Å; E448-R498 PolarHBondContact OE2-NH1 3.34Å; E448-R498 VanDerWaalsContact OE2-NH1 3.14Å; I449-R498 HydrophobicContact CD1-CB 4.43Å; V494-R498 HydrophobicContact CG1-CG 4.2Å; V494-R498 WeakPolarHBondContact O-CB 3.45Å; V494-R498 VanDerWaalsContact O-CG 3.28Å; V494-R498 WeakPolarHBondContact O-CG 3.44Å; V494-R498 PolarHBondContact O-N 2.88Å; I496-R498 VanDerWaalsContact C-N 3.35Å; I496-R498 PolarHBondContact O-N 2.89Å; R498-I502 WeakPolarHBondContact O-CG1 3.26Å; R498-I502 PolarHBondContact O-N 2.69Å; R498-D537 IonicContact CZ-OD1 2.65Å; R498-D537 IonicContact CZ-OD2 3.14Å; R498-D537 IonicContact NE-OD1 3.82Å; R498-D537 PolarHBondContact NE-OD1 3.11Å; R498-D537 IonicContact NE-OD2 3.73Å; R498-D537 PolarHBondContact NE-OD2 3.41Å; R498-D537 IonicContact NH2-OD1 3.67Å; R498-D537 PolarHBondContact NH2-OD1 2.89Å; R498-D537 IonicContact NH2-OD2 2.8Å
499L87.8Confident86.2Confident8 Ų843.3 Ų43.34%0.04223%0.232CC..Hα-helixtrans-62.8-49174.1-84170000111.2I449 T458 A495 I496 D497 R501 I502 G503 K504 N506 L509I449-L499 HydrophobicContact CD1-CD2 4.45Å; I449-L499 HydrophobicContact CD1-CG 4.25Å; I449-L499 HydrophobicContact CG2-CD1 4.14Å; I449-L499 HydrophobicContact CG2-CD2 4.29Å; I449-L499 HydrophobicContact CG2-CG 4.28Å; T458-L499 HydrophobicContact CG2-CD2 3.99Å; A495-L499 WeakPolarHBondContact O-CB 3.34Å; A495-L499 VanDerWaalsContact O-CG 3.25Å; A495-L499 WeakPolarHBondContact O-CG 3.5Å; A495-L499 PolarHBondContact O-N 2.69Å; I496-L499 WeakPolarHBondContact O-CB 3.5Å; I496-L499 PolarHBondContact O-N 2.78Å; D497-L499 VanDerWaalsContact C-N 3.34Å; D497-L499 PolarHBondContact O-N 3.38Å; L499-R501 PolarHBondContact O-N 3.16Å; L499-I502 HydrophobicContact CD2-CD1 4.46Å; L499-I502 WeakPolarHBondContact O-CG1 3.47Å; L499-I502 PolarHBondContact O-N 2.62Å; L499-I502 VanDerWaalsContact O-N 3.15Å; L499-G503 PolarHBondContact O-N 2.75Å; L499-K504 CarbonylContact C-O 3.53Å; L499-K504 WeakPolarHBondContact CB-O 3.45Å; L499-K504 HydrophobicContact CD2-CB 4.12Å; L499-K504 PolarHBondContact O-N 3.09Å; L499-N506 HydrophobicContact CD1-CB 3.81Å; L499-L509 HydrophobicContact CD1-CD2 4.3Å
500D86.6Confident85.9Confident88 Ų8844.4 Ų44.447%0.47124%0.24SC..Hα-helixtrans-62.6-42.1179.5-160.667.1000111.3I496 D497 I502 G503 K505I496-D500 PolarHBondContact O-N 3.4Å; D497-D500 PolarHBondContact O-N 3.01Å; D500-I502 VanDerWaalsContact C-N 3.28Å; D500-I502 PolarHBondContact O-N 2.86Å; D500-G503 PolarHBondContact O-N 3.27Å; D500-K505 WeakPolarHBondContact OD1-CE 3.32Å; D500-K505 IonicContact OD1-NZ 2.69Å; D500-K505 PolarHBondContact OD1-NZ 3.04Å
501R83.8Confident85.7Confident81 Ų8151.1 Ų51.131%0.30627%0.272SS..Hα-helixtrans-56.2-33.7172.9-82.4-170.3-84.1168-3.3114.1D497 L499 G503 D537D497-R501 PolarHBondContact O-N 3.39Å; D497-R501 IonicContact OD2-CZ 3.59Å; D497-R501 IonicContact OD2-NE 2.75Å; D497-R501 PolarHBondContact OD2-NE 3.24Å; D497-R501 IonicContact OD2-NH2 3.35Å; D497-R501 PolarHBondContact OD2-NH2 3.35Å; L499-R501 PolarHBondContact O-N 3.16Å; R501-G503 VanDerWaalsContact C-N 3.34Å; R501-D537 IonicContact CZ-OD2 2.83Å; R501-D537 PolarHBondContact NH1-O 2.69Å; R501-D537 VanDerWaalsContact NH1-O 3.15Å; R501-D537 IonicContact NH1-OD2 2.71Å; R501-D537 IonicContact NH2-OD2 3.55Å; R501-D537 PolarHBondContact NH2-OD2 3.32Å
502I83.1Confident85.3Confident19 Ų1954.8 Ų54.810%0.09729%0.287CS..THydrogen-bonded Turntrans-91.810.717668.1174.1000113.7T432 M438 R498 L499 D500 K504T432-I502 HydrophobicContact CG2-CD1 4.42Å; M438-I502 HydrophobicContact CE-CG2 3.45Å; M438-I502 VanDerWaalsContact CE-CG2 3.45Å; R498-I502 WeakPolarHBondContact O-CG1 3.26Å; R498-I502 PolarHBondContact O-N 2.69Å; L499-I502 HydrophobicContact CD2-CD1 4.46Å; L499-I502 WeakPolarHBondContact O-CG1 3.47Å; L499-I502 PolarHBondContact O-N 2.62Å; L499-I502 VanDerWaalsContact O-N 3.15Å; D500-I502 VanDerWaalsContact C-N 3.28Å; D500-I502 PolarHBondContact O-N 2.86Å; I502-K504 VanDerWaalsContact C-N 3.28Å; I502-K504 HydrophobicContact CD1-CB 4.37Å; I502-K504 HydrophobicContact CD1-CD 4Å; I502-K504 HydrophobicContact CD1-CG 4.33Å; I502-K504 HydrophobicContact CG1-CB 4.08Å; I502-K504 HydrophobicContact CG1-CD 4.36Å; I502-K504 HydrophobicContact CG1-CG 4.15Å; I502-K504 PolarHBondContact O-N 3.4Å
503G80.8Confident84.7Confident68 Ų6855.1 Ų55.170%0.70129%0.29SS*.THydrogen-bonded Turntrans68.521.6179.500000114.3L499 D500 R501L499-G503 PolarHBondContact O-N 2.75Å; D500-G503 PolarHBondContact O-N 3.27Å; R501-G503 VanDerWaalsContact C-N 3.34Å
504K82.6Confident84.2Confident61 Ų6158.3 Ų58.327%0.26530%0.302SS..  trans-116.6148.8179.1-63.4-174.2179.8-175.60109.8E413 T458 L499 I502E413-K504 IonicContact OE1-NZ 3.36Å; E413-K504 PolarHBondContact OE1-NZ 2.96Å; T458-K504 PolarHBondContact O-NZ 2.88Å; L499-K504 CarbonylContact C-O 3.53Å; L499-K504 WeakPolarHBondContact CB-O 3.45Å; L499-K504 HydrophobicContact CD2-CB 4.12Å; L499-K504 PolarHBondContact O-N 3.09Å; I502-K504 VanDerWaalsContact C-N 3.28Å; I502-K504 HydrophobicContact CD1-CB 4.37Å; I502-K504 HydrophobicContact CD1-CD 4Å; I502-K504 HydrophobicContact CD1-CG 4.33Å; I502-K504 HydrophobicContact CG1-CB 4.08Å; I502-K504 HydrophobicContact CG1-CD 4.36Å; I502-K504 HydrophobicContact CG1-CG 4.15Å; I502-K504 PolarHBondContact O-N 3.4Å
505K81.4Confident83.8Confident144 Ų14463.5 Ų63.563%0.62633%0.326SS*.  trans-131141.3177.7-61.3-167.5-178.6-147.30110.6D500 M510D500-K505 WeakPolarHBondContact OD1-CE 3.32Å; D500-K505 IonicContact OD1-NZ 2.69Å; D500-K505 PolarHBondContact OD1-NZ 3.04Å; K505-M510 HydrophobicContact CB-CE 4.33Å; K505-M510 HydrophobicContact CD-CE 4.41Å
506N83.2Confident83.1Confident41 Ų4165.2 Ų65.222%0.21934%0.335CS..  trans-117.8101.8172.5-173.2-40.3000108.2T453 L499 I508 L509 M510T453-N506 VanDerWaalsContact CG2-ND2 3.33Å; T453-N506 WeakPolarHBondContact CG2-ND2 3.46Å; L499-N506 HydrophobicContact CD1-CB 3.81Å; N506-I508 VanDerWaalsContact C-N 3.26Å; N506-I508 PolarHBondContact O-N 3.11Å; N506-I508 WeakPolarHBondContact OD1-CB 3.33Å; N506-I508 PolarHBondContact OD1-N 3Å; N506-I508 VanDerWaalsContact OD1-N 3.16Å; N506-L509 HydrophobicContact CB-CB 4.17Å; N506-L509 PolarHBondContact O-N 2.89Å; N506-L509 PolarHBondContact OD1-N 2.55Å; N506-M510 WeakPolarHBondContact O-CG 3.38Å; N506-M510 PolarHBondContact O-N 2.98Å
507S80.8Confident82.3Confident88 Ų8867 Ų6762%0.61535%0.345SS*.Hα-helixtrans-60.7-33.4-176.248.70000113.2H511S507-H511 WeakPolarHBondContact O-CB 3.19Å; S507-H511 PolarHBondContact O-N 3.14Å
508I82.9Confident81.6Confident135 Ų13572 Ų7269%0.69237%0.371SS*.Hα-helixtrans-66.7-48.6178.9-56.9173.5000109.9N506 H511 K512N506-I508 VanDerWaalsContact C-N 3.26Å; N506-I508 PolarHBondContact O-N 3.11Å; N506-I508 WeakPolarHBondContact OD1-CB 3.33Å; N506-I508 PolarHBondContact OD1-N 3Å; N506-I508 VanDerWaalsContact OD1-N 3.16Å; I508-H511 PolarHBondContact O-N 3.24Å; I508-K512 WeakPolarHBondContact O-CB 3.28Å; I508-K512 PolarHBondContact O-N 3.02Å
509L83.4Confident80.9Confident8 Ų873.4 Ų73.44%0.04239%0.386CS..Hα-helixtrans-65.9-43.9179.9-165.870000111.5T453 E492 A495 I496 L499 N506 K512 V513T453-L509 HydrophobicContact CG2-CB 4.25Å; T453-L509 HydrophobicContact CG2-CD1 4.25Å; T453-L509 HydrophobicContact CG2-CD2 3.98Å; T453-L509 HydrophobicContact CG2-CG 4.4Å; E492-L509 HydrophobicContact CB-CD1 4.42Å; E492-L509 HydrophobicContact CG-CD1 4.12Å; A495-L509 HydrophobicContact CB-CD2 4.09Å; I496-L509 HydrophobicContact CD1-CG 4.21Å; I496-L509 HydrophobicContact CG1-CD2 3.76Å; I496-L509 HydrophobicContact CG1-CG 3.95Å; L499-L509 HydrophobicContact CD1-CD2 4.3Å; N506-L509 HydrophobicContact CB-CB 4.17Å; N506-L509 PolarHBondContact O-N 2.89Å; N506-L509 PolarHBondContact OD1-N 2.55Å; L509-K512 PolarHBondContact O-N 3.49Å; L509-V513 PolarHBondContact O-N 3.1Å
510M81.4Confident79.9Confident71 Ų7176 Ų7635%0.3542%0.415SS..Hα-helixtrans-64.3-43.2177-66.3-166.8-40.800112.4I496 K505 N506 K512 V513 Q514I496-M510 HydrophobicContact CD1-CG 4.33Å; I496-M510 HydrophobicContact CG1-CG 4.27Å; I496-M510 HydrophobicContact CG2-CG 4.02Å; I496-M510 HydrophobicContact CG2-SD 4.44Å; K505-M510 HydrophobicContact CB-CE 4.33Å; K505-M510 HydrophobicContact CD-CE 4.41Å; N506-M510 WeakPolarHBondContact O-CG 3.38Å; N506-M510 PolarHBondContact O-N 2.98Å; M510-K512 VanDerWaalsContact C-N 3.32Å; M510-K512 PolarHBondContact O-N 3.47Å; M510-V513 PolarHBondContact O-N 3.38Å; M510-Q514 VanDerWaalsContact O-CB 3.25Å; M510-Q514 WeakPolarHBondContact O-CB 3.24Å; M510-Q514 PolarHBondContact O-N 2.99Å
511H82.2Confident79Confident142 Ų14275.4 Ų75.466%0.65741%0.414SS*.Hα-helixtrans-64.5-37.7177.6-173-73.4000111.6S507 I508 H515S507-H511 WeakPolarHBondContact O-CB 3.19Å; S507-H511 PolarHBondContact O-N 3.14Å; I508-H511 PolarHBondContact O-N 3.24Å; H511-H515 VanDerWaalsContact O-CB 3.23Å; H511-H515 WeakPolarHBondContact O-CB 3.35Å; H511-H515 PolarHBondContact O-N 3.27Å
512K82.9Confident78.1Confident76 Ų7672.6 Ų72.633%0.3340%0.404SS..Hα-helixtrans-61.5-54.8174.8-170.5-161.3172.8-144.80111.3E492 I508 L509 M510 Q514 H515 D516E492-K512 IonicContact OE1-NZ 2.67Å; E492-K512 PolarHBondContact OE1-NZ 2.71Å; E492-K512 IonicContact OE2-NZ 3.63Å; E492-K512 PolarHBondContact OE2-NZ 3.43Å; I508-K512 WeakPolarHBondContact O-CB 3.28Å; I508-K512 PolarHBondContact O-N 3.02Å; L509-K512 PolarHBondContact O-N 3.49Å; M510-K512 VanDerWaalsContact C-N 3.32Å; M510-K512 PolarHBondContact O-N 3.47Å; K512-Q514 VanDerWaalsContact C-N 3.33Å; K512-Q514 PolarHBondContact O-N 2.91Å; K512-H515 WeakPolarHBondContact O-CB 3.47Å; K512-H515 PolarHBondContact O-N 3.48Å; K512-D516 VanDerWaalsContact O-CG 3.31Å; K512-D516 PolarHBondContact O-N 3.03Å
513V79.9Confident77.6Confident12 Ų1277 Ų777%0.07343%0.428CS..Hα-helixtrans-64.8-37.3-178.4174.50000111.7E492 I496 L509 M510 D516 L517E492-V513 HydrophobicContact CB-CG2 3.88Å; I496-V513 HydrophobicContact CD1-CB 3.61Å; I496-V513 HydrophobicContact CD1-CG1 4.06Å; I496-V513 HydrophobicContact CD1-CG2 3.52Å; L509-V513 PolarHBondContact O-N 3.1Å; M510-V513 PolarHBondContact O-N 3.38Å; V513-D516 PolarHBondContact O-N 3.29Å; V513-L517 HydrophobicContact CG1-CD1 4.02Å; V513-L517 HydrophobicContact CG1-CG 4.46Å; V513-L517 WeakPolarHBondContact O-CB 3.18Å; V513-L517 VanDerWaalsContact O-CG 3.29Å; V513-L517 WeakPolarHBondContact O-CG 3.37Å; V513-L517 PolarHBondContact O-N 3.24Å
514Q77.7Confident77.4Confident104 Ų10480 Ų8049%0.48643%0.427SS..Hα-helixtrans-65.7-38.6174.4-171.165.263.500112.5M510 K512 N518M510-Q514 VanDerWaalsContact O-CB 3.25Å; M510-Q514 WeakPolarHBondContact O-CB 3.24Å; M510-Q514 PolarHBondContact O-N 2.99Å; K512-Q514 VanDerWaalsContact C-N 3.33Å; K512-Q514 PolarHBondContact O-N 2.91Å; Q514-N518 PolarHBondContact NE2-OD1 2.75Å; Q514-N518 VanDerWaalsContact O-CB 3.3Å; Q514-N518 WeakPolarHBondContact O-CB 3.44Å; Q514-N518 PolarHBondContact O-N 2.95Å; Q514-N518 PolarHBondContact O-ND2 3.1Å; Q514-N518 PolarHBondContact O-OD1 3Å
515H80.4Confident77.2Confident109 Ų10983.1 Ų83.151%0.50544%0.443SS..Hα-helixtrans-62.9-47.7173.5172.9-83.7000111H511 K512 L517 N518 S519H511-H515 VanDerWaalsContact O-CB 3.23Å; H511-H515 WeakPolarHBondContact O-CB 3.35Å; H511-H515 PolarHBondContact O-N 3.27Å; K512-H515 WeakPolarHBondContact O-CB 3.47Å; K512-H515 PolarHBondContact O-N 3.48Å; H515-L517 VanDerWaalsContact C-N 3.32Å; H515-L517 PolarHBondContact O-N 3.01Å; H515-N518 PolarHBondContact O-N 3.32Å; H515-S519 WeakPolarHBondContact O-CB 3.28Å; H515-S519 PolarHBondContact O-N 3.28Å; H515-S519 PolarHBondContact O-OG 2.69Å
516D76.2Confident77.1Confident35 Ų3578 Ų7819%0.18742%0.421CS..Hα-helixtrans-62.4-40.3-179.9-66.2-6.4000110.9K512 V513 S519 F522K512-D516 VanDerWaalsContact O-CG 3.31Å; K512-D516 PolarHBondContact O-N 3.03Å; V513-D516 PolarHBondContact O-N 3.29Å; D516-S519 WeakPolarHBondContact CA-OG 3.32Å; D516-S519 PolarHBondContact O-N 3.39Å; D516-S519 PolarHBondContact O-OG 2.93Å; D516-F522 HydrophobicContact CB-CE2 4.03Å
517L73.4Confident77Confident73 Ų7378.4 Ų78.438%0.38242%0.423SS..Hα-helixtrans-62.1-47.8172.7-76165.9000112V513 H515 S519 G520 F522V513-L517 HydrophobicContact CG1-CD1 4.02Å; V513-L517 HydrophobicContact CG1-CG 4.46Å; V513-L517 WeakPolarHBondContact O-CB 3.18Å; V513-L517 VanDerWaalsContact O-CG 3.29Å; V513-L517 WeakPolarHBondContact O-CG 3.37Å; V513-L517 PolarHBondContact O-N 3.24Å; H515-L517 VanDerWaalsContact C-N 3.32Å; H515-L517 PolarHBondContact O-N 3.01Å; L517-S519 VanDerWaalsContact C-N 3.26Å; L517-S519 PolarHBondContact O-N 2.97Å; L517-G520 PolarHBondContact O-N 2.96Å; L517-F522 HydrophobicContact CB-CE2 4.42Å; L517-F522 HydrophobicContact CD2-CD2 3.86Å; L517-F522 HydrophobicContact CD2-CE2 3.73Å; L517-F522 HydrophobicContact CD2-CG 4.42Å; L517-F522 HydrophobicContact CD2-CZ 4.17Å; L517-F522 HydrophobicContact CG-CD2 4.38Å; L517-F522 HydrophobicContact CG-CE2 3.88Å; L517-F522 HydrophobicContact CG-CZ 4.44Å
518N73.1Confident77.1Confident122 Ų12280 Ų8065%0.65242%0.421SS*.Hα-helixtrans-68-25.2-179.7-69.7-2.6000113Q514 H515 G520Q514-N518 PolarHBondContact NE2-OD1 2.75Å; Q514-N518 VanDerWaalsContact O-CB 3.3Å; Q514-N518 WeakPolarHBondContact O-CB 3.44Å; Q514-N518 PolarHBondContact O-N 2.95Å; Q514-N518 PolarHBondContact O-ND2 3.1Å; Q514-N518 PolarHBondContact O-OD1 3Å; H515-N518 PolarHBondContact O-N 3.32Å; N518-G520 PolarHBondContact O-N 2.82Å
519S74.9Confident77.1Confident57 Ų5775.1 Ų75.140%0.39940%0.395SS..THydrogen-bonded Turntrans-74.9-4.8-178.971.50000114.4H515 D516 L517 V521H515-S519 WeakPolarHBondContact O-CB 3.28Å; H515-S519 PolarHBondContact O-N 3.28Å; H515-S519 PolarHBondContact O-OG 2.69Å; D516-S519 WeakPolarHBondContact CA-OG 3.32Å; D516-S519 PolarHBondContact O-N 3.39Å; D516-S519 PolarHBondContact O-OG 2.93Å; L517-S519 VanDerWaalsContact C-N 3.26Å; L517-S519 PolarHBondContact O-N 2.97Å; S519-V521 PolarHBondContact O-N 3.45Å; S519-V521 WeakPolarHBondContact OG-CG2 3.31Å
520G66.1Low77.1Confident63 Ų6375.1 Ų75.165%0.64940%0.396SS*.THydrogen-bonded Turntrans70.916.6179.200000114.3L517 N518 F522L517-G520 PolarHBondContact O-N 2.96Å; N518-G520 PolarHBondContact O-N 2.82Å; G520-F522 PolarHBondContact O-N 3.5Å
521V67.8Low77.3Confident75 Ų7578.9 Ų78.946%0.45541%0.412SS..  trans-75.8-7.6-177.5169.20000113.1S519S519-V521 PolarHBondContact O-N 3.45Å; S519-V521 WeakPolarHBondContact OG-CG2 3.31Å
522F65.3Low77.4Confident22 Ų2277.9 Ų77.910%0.09641%0.408CS..SBendtrans-99.3133178-68.7-93.2000111.9R489 D516 L517 G520 N527 I530R489-F522 HydrophobicContact CB-CE1 4.12Å; R489-F522 HydrophobicContact CB-CZ 4.26Å; R489-F522 HydrophobicContact CG-CE1 4.35Å; R489-F522 HydrophobicContact CG-CZ 4.24Å; D516-F522 HydrophobicContact CB-CE2 4.03Å; L517-F522 HydrophobicContact CB-CE2 4.42Å; L517-F522 HydrophobicContact CD2-CD2 3.86Å; L517-F522 HydrophobicContact CD2-CE2 3.73Å; L517-F522 HydrophobicContact CD2-CG 4.42Å; L517-F522 HydrophobicContact CD2-CZ 4.17Å; L517-F522 HydrophobicContact CG-CD2 4.38Å; L517-F522 HydrophobicContact CG-CE2 3.88Å; L517-F522 HydrophobicContact CG-CZ 4.44Å; G520-F522 PolarHBondContact O-N 3.5Å; F522-N527 WeakPolarHBondContact CB-ND2 3.45Å; F522-N527 WeakPolarHBondContact CB-OD1 3.33Å; F522-N527 WeakPolarHBondContact CD1-OD1 3.25Å; F522-N527 WeakPolarHBondContact CG-OD1 3.32Å; F522-I530 HydrophobicContact CD1-CD1 4.34Å; F522-I530 HydrophobicContact CE1-CD1 3.81Å
523N72.9Confident77.6Confident112 Ų11274.5 Ų74.560%0.59939%0.393SS*.  trans-75.3148.4160.5-68.3-51.5000110.2H525 E526 N527N523-H525 PolarHBondContact O-N 2.92Å; N523-H525 VanDerWaalsContact O-N 3.16Å; N523-E526 HydrophobicContact CB-CG 4.16Å; N523-E526 PolarHBondContact N-OE2 3.01Å; N523-E526 WeakPolarHBondContact O-CB 3.36Å; N523-E526 PolarHBondContact O-N 2.93Å; N523-N527 PolarHBondContact O-N 3.43Å; N523-N527 VanDerWaalsContact O-N 3.17Å
524N77Confident77.9Confident130 Ų13074.9 Ų74.970%0.69540%0.395SS*.Hα-helixtrans-52.9-40.3178.5-69.6-8.9000112.4E526 N527 E528N524-E526 PolarHBondContact O-N 2.92Å; N524-N527 WeakPolarHBondContact O-CB 3.32Å; N524-N527 PolarHBondContact O-N 3.46Å; N524-E528 WeakPolarHBondContact O-CG 3.44Å; N524-E528 PolarHBondContact O-N 3.31Å
525H78.3Confident78.4Confident126 Ų12676.1 Ų76.158%0.58340%0.399SS*.Hα-helixtrans-64.7-36.1177.7-17657.2000113.7N523 E528 M529N523-H525 PolarHBondContact O-N 2.92Å; N523-H525 VanDerWaalsContact O-N 3.16Å; H525-E528 IonicContact ND1-OE2 3.22Å; H525-E528 PolarHBondContact O-N 2.99Å; H525-M529 WeakPolarHBondContact O-CB 3.43Å; H525-M529 PolarHBondContact O-N 3.33Å
526E78.9Confident78.5Confident38 Ų3875.7 Ų75.718%0.17839%0.394CS..Hα-helixtrans-68.4-38.7175.4-64.5174.4129.600110.8M486 N523 N524 M529 I530M486-E526 HydrophobicContact CG-CG 4.36Å; M486-E526 WeakPolarHBondContact CG-OE1 3.39Å; N523-E526 HydrophobicContact CB-CG 4.16Å; N523-E526 PolarHBondContact N-OE2 3.01Å; N523-E526 WeakPolarHBondContact O-CB 3.36Å; N523-E526 PolarHBondContact O-N 2.93Å; N524-E526 PolarHBondContact O-N 2.92Å; E526-M529 PolarHBondContact O-N 3.49Å; E526-I530 WeakPolarHBondContact O-CB 3.37Å; E526-I530 VanDerWaalsContact O-CG1 3.24Å; E526-I530 WeakPolarHBondContact O-CG1 3.38Å; E526-I530 PolarHBondContact O-N 3.26Å
527N81.3Confident79Confident48 Ų4874.3 Ų74.326%0.25739%0.387SS..Hα-helixtrans-63.6-44.3174.6-76.8-33.1000111.7F522 N523 N524 I530 Q531F522-N527 WeakPolarHBondContact CB-ND2 3.45Å; F522-N527 WeakPolarHBondContact CB-OD1 3.33Å; F522-N527 WeakPolarHBondContact CD1-OD1 3.25Å; F522-N527 WeakPolarHBondContact CG-OD1 3.32Å; N523-N527 PolarHBondContact O-N 3.43Å; N523-N527 VanDerWaalsContact O-N 3.17Å; N524-N527 WeakPolarHBondContact O-CB 3.32Å; N524-N527 PolarHBondContact O-N 3.46Å; N527-I530 PolarHBondContact O-N 3.15Å; N527-Q531 WeakPolarHBondContact O-CG 3.2Å; N527-Q531 PolarHBondContact O-N 3.1Å
528E83.6Confident79.6Confident121 Ų12178 Ų7857%0.56540%0.395SS*.Hα-helixtrans-57.6-51.3174.9-73.3166.4179.200111.3N524 H525 I530 Q531 E532N524-E528 WeakPolarHBondContact O-CG 3.44Å; N524-E528 PolarHBondContact O-N 3.31Å; H525-E528 IonicContact ND1-OE2 3.22Å; H525-E528 PolarHBondContact O-N 2.99Å; E528-I530 VanDerWaalsContact C-N 3.34Å; E528-I530 PolarHBondContact O-N 3.32Å; E528-Q531 PolarHBondContact O-N 3.47Å; E528-Q531 VanDerWaalsContact O-N 3.09Å; E528-E532 PolarHBondContact O-N 3Å
529M82.9Confident80.2Confident33 Ų3378.2 Ų78.216%0.16339%0.393CS..Hα-helixtrans-58-43.4177.7-174.4-170.8-66.300112.4M486 H525 E526 Q531 E532 I533M486-M529 HydrophobicContact CE-SD 4.04Å; H525-M529 WeakPolarHBondContact O-CB 3.43Å; H525-M529 PolarHBondContact O-N 3.33Å; E526-M529 PolarHBondContact O-N 3.49Å; M529-Q531 VanDerWaalsContact C-N 3.34Å; M529-Q531 PolarHBondContact O-N 2.87Å; M529-E532 PolarHBondContact O-N 3.48Å; M529-I533 HydrophobicContact CG-CD1 4.26Å; M529-I533 WeakPolarHBondContact O-CG1 3.4Å; M529-I533 PolarHBondContact O-N 3.4Å
530I83.6Confident80.5Confident9 Ų977.1 Ų77.15%0.04638%0.382CS..Hα-helixtrans-65-37.7176.9-70.4168.8000111.1R489 A490 T493 F522 E526 N527 E528 I533 V534R489-I530 HydrophobicContact CB-CD1 4.32Å; A490-I530 HydrophobicContact CB-CG1 4.09Å; T493-I530 HydrophobicContact CG2-CG2 3.74Å; F522-I530 HydrophobicContact CD1-CD1 4.34Å; F522-I530 HydrophobicContact CE1-CD1 3.81Å; E526-I530 WeakPolarHBondContact O-CB 3.37Å; E526-I530 VanDerWaalsContact O-CG1 3.24Å; E526-I530 WeakPolarHBondContact O-CG1 3.38Å; E526-I530 PolarHBondContact O-N 3.26Å; N527-I530 PolarHBondContact O-N 3.15Å; E528-I530 VanDerWaalsContact C-N 3.34Å; E528-I530 PolarHBondContact O-N 3.32Å; I530-I533 PolarHBondContact O-N 3.4Å; I530-V534 WeakPolarHBondContact O-CG2 3.36Å; I530-V534 PolarHBondContact O-N 3.42Å
531Q85.1Confident81.1Confident150 Ų15075.2 Ų75.270%0.70136%0.357SS*.Hα-helixtrans-68.5-35.8175.3-68.9-148.317.100112.8N527 E528 M529 V534 K535N527-Q531 WeakPolarHBondContact O-CG 3.2Å; N527-Q531 PolarHBondContact O-N 3.1Å; E528-Q531 PolarHBondContact O-N 3.47Å; E528-Q531 VanDerWaalsContact O-N 3.09Å; M529-Q531 VanDerWaalsContact C-N 3.34Å; M529-Q531 PolarHBondContact O-N 2.87Å; Q531-V534 PolarHBondContact O-N 3.14Å; Q531-K535 WeakPolarHBondContact O-CB 3.48Å; Q531-K535 PolarHBondContact O-N 3.06Å
532E85.2Confident81.3Confident120 Ų12076.7 Ų76.756%0.56136%0.359SS*.Hα-helixtrans-62.2-43.1171.9-70.3-167.2150.900112E528 M529 V534 K535 Y536E528-E532 PolarHBondContact O-N 3Å; M529-E532 PolarHBondContact O-N 3.48Å; E532-V534 PolarHBondContact O-N 3.24Å; E532-K535 PolarHBondContact O-N 3.28Å; E532-Y536 PolarHBondContact O-N 3.16Å
533I86Confident81.1Confident6 Ų683.4 Ų83.43%0.03139%0.391CS..Hα-helixtrans-60.3-45176-66.6160.6000110.7P382 L383 A490 V494 M529 I530 Y536 D537P382-I533 HydrophobicContact CB-CG1 4.46Å; L383-I533 HydrophobicContact CD1-CD1 4.2Å; L383-I533 HydrophobicContact CD1-CG2 4.3Å; A490-I533 HydrophobicContact CB-CD1 4.27Å; V494-I533 HydrophobicContact CG2-CG2 3.82Å; M529-I533 HydrophobicContact CG-CD1 4.26Å; M529-I533 WeakPolarHBondContact O-CG1 3.4Å; M529-I533 PolarHBondContact O-N 3.4Å; I530-I533 PolarHBondContact O-N 3.4Å; I533-Y536 PolarHBondContact O-N 2.88Å; I533-D537 WeakPolarHBondContact O-CB 3.19Å; I533-D537 PolarHBondContact O-N 3.19Å
534V86.9Confident80.2Confident19 Ų1980 Ų8012%0.11537%0.374CS..Hα-helixtrans-65-40.2176.6173.40000111.7T493 V494 D497 I530 Q531 E532 D537 R538T493-V534 HydrophobicContact CG2-CG2 3.92Å; V494-V534 HydrophobicContact CG2-CG2 3.8Å; D497-V534 HydrophobicContact CB-CG1 4.05Å; I530-V534 WeakPolarHBondContact O-CG2 3.36Å; I530-V534 PolarHBondContact O-N 3.42Å; Q531-V534 PolarHBondContact O-N 3.14Å; E532-V534 PolarHBondContact O-N 3.24Å; V534-D537 PolarHBondContact O-N 3.27Å; V534-R538 WeakPolarHBondContact O-CG 3.47Å; V534-R538 PolarHBondContact O-N 3.15Å; V534-R538 VanDerWaalsContact O-N 3.09Å
535K86.7Confident78.4Confident130 Ų13081.4 Ų81.457%0.56538%0.382SS*.Hα-helixtrans-61.1-49.6177.1-178.8-172.7169-166.10111Q531 E532 D537 R538 E539Q531-K535 WeakPolarHBondContact O-CB 3.48Å; Q531-K535 PolarHBondContact O-N 3.06Å; E532-K535 PolarHBondContact O-N 3.28Å; K535-D537 PolarHBondContact O-N 3.42Å; K535-R538 WeakPolarHBondContact O-CB 3.27Å; K535-R538 PolarHBondContact O-N 3.14Å; K535-R538 VanDerWaalsContact O-N 3.12Å; K535-E539 WeakPolarHBondContact CE-OE1 3.39Å; K535-E539 PolarHBondContact O-N 2.8Å; K535-E539 VanDerWaalsContact O-N 3.13Å
536Y83.9Confident76.6Confident100 Ų10080.1 Ų80.139%0.39238%0.382SS..Hα-helixtrans-65.1-38.6178.6-164.4-73000111.6P382 E532 I533 R538 E539 M540P382-Y536 HydrophobicContact CB-CD1 4.41Å; P382-Y536 HydrophobicContact CB-CG 4.32Å; P382-Y536 HydrophobicContact CG-CD1 3.04Å; P382-Y536 HydrophobicContact CG-CD2 3.93Å; P382-Y536 HydrophobicContact CG-CE1 3.46Å; P382-Y536 VanDerWaalsContact CG-CE1 3.46Å; P382-Y536 HydrophobicContact CG-CE2 4.29Å; P382-Y536 HydrophobicContact CG-CG 3.28Å; E532-Y536 PolarHBondContact O-N 3.16Å; I533-Y536 PolarHBondContact O-N 2.88Å; Y536-R538 PolarHBondContact O-N 3.39Å; Y536-E539 WeakPolarHBondContact O-CA 3.46Å; Y536-E539 PolarHBondContact O-N 3.16Å; Y536-M540 HydrophobicContact CD1-CG 3.51Å; Y536-M540 HydrophobicContact CD1-SD 3.84Å; Y536-M540 HydrophobicContact CE1-CE 4.06Å; Y536-M540 HydrophobicContact CE1-CG 3.44Å; Y536-M540 VanDerWaalsContact CE1-CG 3.44Å; Y536-M540 HydrophobicContact CE1-SD 3.58Å; Y536-M540 VanDerWaalsContact CE1-SD 3.58Å; Y536-M540 WeakPolarHBondContact O-CG 3.27Å; Y536-M540 PolarHBondContact O-N 3.08Å
537D86.9Confident74.3Confident7 Ų783.9 Ų83.94%0.03741%0.41CS..Hα-helixtrans-63.7-23.2174.4-168.478.7000113.4V494 R498 R501 I533 V534 K535 V541V494-D537 HydrophobicContact CG1-CB 4.29Å; R498-D537 IonicContact CZ-OD1 2.65Å; R498-D537 IonicContact CZ-OD2 3.14Å; R498-D537 IonicContact NE-OD1 3.82Å; R498-D537 PolarHBondContact NE-OD1 3.11Å; R498-D537 IonicContact NE-OD2 3.73Å; R498-D537 PolarHBondContact NE-OD2 3.41Å; R498-D537 IonicContact NH2-OD1 3.67Å; R498-D537 PolarHBondContact NH2-OD1 2.89Å; R498-D537 IonicContact NH2-OD2 2.8Å; R501-D537 IonicContact CZ-OD2 2.83Å; R501-D537 PolarHBondContact NH1-O 2.69Å; R501-D537 VanDerWaalsContact NH1-O 3.15Å; R501-D537 IonicContact NH1-OD2 2.71Å; R501-D537 IonicContact NH2-OD2 3.55Å; R501-D537 PolarHBondContact NH2-OD2 3.32Å; I533-D537 WeakPolarHBondContact O-CB 3.19Å; I533-D537 PolarHBondContact O-N 3.19Å; V534-D537 PolarHBondContact O-N 3.27Å; K535-D537 PolarHBondContact O-N 3.42Å; D537-V541 VanDerWaalsContact O-CG2 3.29Å; D537-V541 WeakPolarHBondContact O-CG2 3.41Å
538R85.8Confident71.9Confident149 Ų14989.2 Ų89.256%0.56244%0.438SS*.Hα-helixtrans-76-39.9168.1-70.2173.3173.1-166.30.7111.7D497 V534 K535 Y536 V541D497-R538 IonicContact OD1-CZ 3.45Å; D497-R538 IonicContact OD1-NE 3.64Å; D497-R538 PolarHBondContact OD1-NE 3.01Å; D497-R538 IonicContact OD1-NH2 3.92Å; D497-R538 PolarHBondContact OD1-NH2 3.49Å; D497-R538 IonicContact OD2-NE 3.71Å; V534-R538 WeakPolarHBondContact O-CG 3.47Å; V534-R538 PolarHBondContact O-N 3.15Å; V534-R538 VanDerWaalsContact O-N 3.09Å; K535-R538 WeakPolarHBondContact O-CB 3.27Å; K535-R538 PolarHBondContact O-N 3.14Å; K535-R538 VanDerWaalsContact O-N 3.12Å; Y536-R538 PolarHBondContact O-N 3.39Å; R538-V541 PolarHBondContact O-N 3.41Å
539E84.5Confident69.6Low127 Ų12789 Ų8959%0.59345%0.447SS*.Hα-helixtrans-69.2-29.8179.3-68.4173.1-170.800113.2K535 Y536 V541K535-E539 WeakPolarHBondContact CE-OE1 3.39Å; K535-E539 PolarHBondContact O-N 2.8Å; K535-E539 VanDerWaalsContact O-N 3.13Å; Y536-E539 WeakPolarHBondContact O-CA 3.46Å; Y536-E539 PolarHBondContact O-N 3.16Å; E539-V541 VanDerWaalsContact C-N 3.35Å
540M80.9Confident67.2Low34 Ų3499.2 Ų99.217%0.16748%0.484CS..THydrogen-bonded Turntrans-71.7-23.7174.6-66-164.397.900114.5Y536 Q542Y536-M540 HydrophobicContact CD1-CG 3.51Å; Y536-M540 HydrophobicContact CD1-SD 3.84Å; Y536-M540 HydrophobicContact CE1-CE 4.06Å; Y536-M540 HydrophobicContact CE1-CG 3.44Å; Y536-M540 VanDerWaalsContact CE1-CG 3.44Å; Y536-M540 HydrophobicContact CE1-SD 3.58Å; Y536-M540 VanDerWaalsContact CE1-SD 3.58Å; Y536-M540 WeakPolarHBondContact O-CG 3.27Å; Y536-M540 PolarHBondContact O-N 3.08Å; M540-Q542 PolarHBondContact O-N 3.47Å
541V80.4Confident64.8Low23 Ų23103.3 Ų103.314%0.13952%0.519CS..  trans-88.5108-171.81750000110.7M438 L440 D537 R538 E539M438-V541 HydrophobicContact CB-CG1 3.97Å; M438-V541 HydrophobicContact CG-CG1 4.15Å; M438-V541 HydrophobicContact SD-CG1 3.85Å; L440-V541 HydrophobicContact CD2-CG2 3.69Å; D537-V541 VanDerWaalsContact O-CG2 3.29Å; D537-V541 WeakPolarHBondContact O-CG2 3.41Å; R538-V541 PolarHBondContact O-N 3.41Å; E539-V541 VanDerWaalsContact C-N 3.35Å
542Q71.2Confident62.5Low106 Ų106104.7 Ų104.750%0.49553%0.528SS..EExtended strand (participates in β ladder)trans-82.5122.9173-65.2-174.8-2.700110.3K439 M540K439-Q542 PolarHBondContact N-O 3.23Å; K439-Q542 PolarHBondContact O-N 2.9Å; M540-Q542 PolarHBondContact O-N 3.47Å
543Q60.1Low59.9Low163 Ų163104.4 Ų104.476%0.76254%0.539SS*.EExtended strand (participates in β ladder)trans-74.4140.8169.1-63.3-170.5500109.8
544V56.1Low57.4Low40 Ų40111.9 Ų111.924%0.24258%0.576CS.*  trans-94.1109.2176.7-179.10000109.5I436 G437 K439 V546I436-V544 WeakPolarHBondContact CG2-O 3.45Å; G437-V544 WeakPolarHBondContact O-CB 3.28Å; G437-V544 WeakPolarHBondContact O-CG2 3.44Å; G437-V544 PolarHBondContact O-N 2.94Å; K439-V544 HydrophobicContact CB-CG2 4.44Å; K439-V544 HydrophobicContact CD-CG2 3.82Å; K439-V544 HydrophobicContact CG-CG2 3.68Å; V544-V546 HydrophobicContact CG1-CG2 4.14Å; V544-V546 PolarHBondContact O-N 2.96Å; V544-V546 VanDerWaalsContact O-N 3.11Å
545D38.9Very low54.7Low160 Ų160117.3 Ų117.386%0.85661%0.609SS**  trans-63.3112164.6-83-36.1000109.5
546V39.9Very low52.1Low99 Ų99117 Ų11760%0.662%0.62SS**PPolyproline II helixtrans-96.8117.3174.1-179.40000108.4V544 L548V544-V546 HydrophobicContact CG1-CG2 4.14Å; V544-V546 PolarHBondContact O-N 2.96Å; V544-V546 VanDerWaalsContact O-N 3.11Å; V546-L548 PolarHBondContact O-N 3.49Å
547P31.3Very low49.7Very low118 Ų118118.2 Ų118.277%0.76664%0.64SS**PPolyproline II helixtrans-62119.6173.3-21.333.2000110.4
548L29.7Very low47.1Very low160 Ų160126.1 Ų126.184%0.83868%0.682SS**PPolyproline II helixtrans-63.2129.4178.5-167.177.1000110.1V546 R550V546-L548 PolarHBondContact O-N 3.49Å; L548-R550 PolarHBondContact O-N 3.44Å; L548-R550 VanDerWaalsContact O-N 3.13Å
549P35.8Very low44.9Very low117 Ų117124.8 Ų124.876%0.7669%0.692SS**  trans-66.3115.8176.926-32.7000110.2A551P549-A551 PolarHBondContact O-N 3.29Å
550R32.1Very low42.3Very low246 Ų246122.7 Ų122.793%0.92871%0.705SS**  trans-66.4117.6178.5-132.2175.8-174.1163.31.1109.3L548L548-R550 PolarHBondContact O-N 3.44Å; L548-R550 VanDerWaalsContact O-N 3.13Å
551A33.3Very low39.7Very low96 Ų96124.3 Ų124.379%0.79373%0.731SS**  trans-62.2137.7177.400000110.9P549 S553P549-A551 PolarHBondContact O-N 3.29Å; A551-S553 PolarHBondContact O-N 3.14Å
552M36.4Very low37.3Very low179 Ų179130.8 Ų130.888%0.88276%0.763SS**  trans-71.1116176.5-69179.617500110.6
553S30.1Very low35.4Very low113 Ų113135.6 Ų135.679%0.7978%0.782SS**  trans-99.5118.9163.758.80000109.8A551A551-S553 PolarHBondContact O-N 3.14Å
554M34.4Very low33.8Very low163 Ų163131.6 Ų131.680%0.80378%0.777SS**  trans-76.7126.2179.5-69.5-88107.400112.2
555T30.6Very low33.1Very low134 Ų134135.5 Ų135.582%0.82280%0.803SS**  trans-149146.2151.537.70000110.3
556P32.6Very low33.4Very low122 Ų122133.7 Ų133.779%0.79280%0.801SS**  trans-92.7160.6-169.236.5-36.3000114.2
557P33.3Very low32.8Very low126 Ų126132.1 Ų132.182%0.81880%0.804SS**  trans-93.3149.3-179.636.3-34000114.1
558L30.6Very low32.7Very low173 Ų173132.7 Ų132.791%0.90681%0.811SS**  trans-135.4158.6163.5-87.4162000109.2
559P40.8Very low32.6Very low121 Ų121131 Ų13179%0.78681%0.812SS**  trans-122.9164.3-140.341.4-30.6000116.8
560G29Very low32.3Very low84 Ų84130.1 Ų130.187%0.86682%0.816SS**  trans92.4145.916800000114.4
561G27.4Very low32.2Very low68 Ų68127.4 Ų127.470%0.70181%0.813SS**  cis172.3161.7-7.800000112.3
562I29.1Very low32Very low158 Ų158128.7 Ų128.781%0.8181%0.813SS**  trans59.2101.8153.6-47.1171.3000117.6
563F31Very low31.7Very low207 Ų207131.5 Ų131.591%0.90881%0.814SS**  -167.7155.7118.4-118.1-85.3000110.9
564A28Very low31.7Very low79 Ų79134 Ų13465%0.65382%0.819SS**  trans-153.8-176.8-176.100000108.9
565P40.6Very low31.5Very low122 Ų122131.3 Ų131.379%0.79282%0.816SS**  -120-137.8-50.340.3-23.3000107.8
566P45.7Very low31.5Very low123 Ų123129.6 Ų129.680%0.79982%0.815SS**  cis-123.6169.8-34.537-21.8000113.6
567G27.1Very low31.7Very low66 Ų66132.1 Ų132.168%0.6882%0.82SS**  trans-172.3110.416900000115.5
568S29Very low31.7Very low129 Ų129130.2 Ų130.290%0.90282%0.815SS**  trans56.7122.8165.259.10000119.9
569S28.2Very low32Very low124 Ų124128.1 Ų128.187%0.86781%0.81SS**  trans-84.3133.3175.951.80000114.2
570A28.7Very low31.8Very low100 Ų100130 Ų13083%0.82681%0.812SS**  trans-146.2123152.500000109.5
571Q30.1Very low32.1Very low189 Ų189135.1 Ų135.188%0.88381%0.814SS**PPolyproline II helixtrans-85146.9175.1-80.8-172.9-39.400111.4
572P30.3Very low32.5Very low122 Ų122140.6 Ų140.679%0.79282%0.821SS**PPolyproline II helixtrans-74.4147.3166.231.3-31000110.7
573R28.2Very low32.6Very low238 Ų238137 Ų13790%0.89881%0.814SS**PPolyproline II helixtrans-103.2119.2171.5-84.1-176.1169.1171.3-3.1110.7
574D30.5Very low32.8Very low167 Ų167133.6 Ų133.689%0.89381%0.81SS**PPolyproline II helixtrans-73.1118.1158.9-68.1-54.9000110.1
575S29.9Very low33Very low105 Ų105134.1 Ų134.173%0.73482%0.815SS**  trans-173.399.9154.8480000112.9
576A31.4Very low32.6Very low98 Ų98136.5 Ų136.581%0.8182%0.818SS**  trans-12928.4170.100000113.1
577I37.4Very low31.9Very low176 Ų176138.2 Ų138.290%0.90382%0.82SS**SBendtrans-124.568.9171-52-179.6000108.2
578A32.3Very low32Very low86 Ų86144.9 Ų144.971%0.71183%0.831SS**SBendtrans-153.89.5177.800000114.7
579T37.7Very low31.9Very low129 Ų129144.9 Ų144.979%0.79183%0.829SS**SBendtrans-128.220.4-166.8-15.90000114.9
580L36.1Very low32Very low159 Ų159146.9 Ų146.983%0.83283%0.83SS**SBendtrans-112.6-7.4177.8-97.7162.1000114.7
581Q36.4Very low32.1Very low192 Ų192147.7 Ų147.790%0.89783%0.827SS**SBendtrans-100.74.1-174-139.5161.9-8.100114.3
582Q35Very low32.1Very low184 Ų184145.8 Ų145.886%0.8682%0.821SS**SBendtrans-1216.8-176.2-150.1146.912.200114.3
583A32Very low32.1Very low81 Ų81145.9 Ų145.967%0.66982%0.822SS**SBendtrans-97.6-5.9176.800000114.4
584V33.8Very low32Very low136 Ų136140.9 Ų140.982%0.82482%0.817SS**SBendtrans-93-7.4-172.1-177.90000113.2
585A31.9Very low31.9Very low90 Ų90138.3 Ų138.374%0.74481%0.813SS**SBendtrans-99.10.1-172.100000115.9
586M32.9Very low31.8Very low173 Ų173138.3 Ų138.385%0.85282%0.819SS**SBendtrans-130.362.3-171-76.5-78.9-79.800112.4
587N30Very low31.5Very low158 Ų158139 Ų13985%0.84582%0.818SS**  trans-15129.7166.8-127.6-4000115.2
588F30Very low31.3Very low207 Ų207136.4 Ų136.491%0.90881%0.812SS**SBendtrans-125.691.8165.6-81.3-80.2000109.4
589C27.1Very low31Very low128 Ų128140 Ų14087%0.86582%0.819SS**  trans162.8115.8149.8-93.70000109.6
590N29.6Very low30.5Very low167 Ų167142.1 Ų142.189%0.89382%0.819SS**PPolyproline II helixtrans-96.8123171.4-125.423.5000108.7
591P31.7Very low30.1Very low116 Ų116139.1 Ų139.175%0.75381%0.812SS**PPolyproline II helixtrans-83.3137.1170.7-7.425.3000111.4
592I29.5Very low29.7Very low150 Ų150138.2 Ų138.277%0.76981%0.808SS**PPolyproline II helixtrans-82.6134.8169.3-59.8169.3000108.3
593P30.1Very low29.3Very low124 Ų124135.7 Ų135.781%0.80580%0.8SS**PPolyproline II helixtrans-79.7127.1173.231.4-31.9000110.9
594V27.9Very low29Very low132 Ų132139.5 Ų139.580%0.881%0.808SS**  trans-122.9131.9167.8-178.60000109
595S28.3Very low28.6Very low114 Ų114136.8 Ų136.880%0.79780%0.8SS**  trans-67.8141.9-17849.90000113.2
596A26.9Very low28.4Very low104 Ų104138.4 Ų138.486%0.8681%0.805SS**  trans-90.4142.3177.400000113.1
597S26.1Very low28Very low114 Ų114134 Ų13480%0.79781%0.805SS**  trans-151.6128.4159.858.90000109.5
598P31.5Very low27.9Very low121 Ų121131.6 Ų131.679%0.78681%0.806SS**  trans-101.3136.2-175.935.6-30.4000112.9
599L26.8Very low27.8Very low161 Ų161131.8 Ų131.884%0.84381%0.807SS**  trans-175.3161.3141.9-107.7146.3000113.7
600Q27.7Very low27.8Very low173 Ų173130 Ų13081%0.80880%0.802SS**  trans72.4143.5174.7-116.472.315.600118.8
601S27.5Very low28.1Very low96 Ų96128.1 Ų128.167%0.67180%0.799SS**  trans-138.9167-161.654.20000111.5
602Q27.3Very low28Very low173 Ų173129 Ų12981%0.80880%0.802SS**  trans74.7148.1172-53.2-174-13.400115
603L26.4Very low27.9Very low132 Ų132130.1 Ų130.169%0.69181%0.808SS**  cis-156.916110.1-134.5153.9000110.2
604L26.4Very low27.9Very low161 Ų161128.4 Ų128.484%0.84381%0.805SS**  trans73.7152.2168.2-52.4165.5000117.7
605A25.8Very low27.8Very low79 Ų79127.3 Ų127.365%0.65380%0.803SS**  cis-169155.2-31.300000109.8
606S27Very low27.9Very low123 Ų123128 Ų12886%0.8681%0.805SS**  trans64.9105.7152.9-57.30000121.8
607G25.7Very low28Very low82 Ų82129.2 Ų129.285%0.84580%0.802SS**  7994.6118.100000119.7
608A26.6Very low28.1Very low106 Ų106130.5 Ų130.588%0.87680%0.804SS**  trans-113.1114.3163.600000111
609F27.8Very low27.9Very low211 Ų211133.2 Ų133.293%0.92581%0.806SS**PPolyproline II helixtrans-94.8129.2163.8-87.5-90.9000109.1
610A28.1Very low27.8Very low91 Ų91130.8 Ų130.875%0.75280%0.803SS**PPolyproline II helixtrans-100.4132.9170.300000109.9
611P35.2Very low28.1Very low128 Ų128129 Ų12983%0.83181%0.806SS**PPolyproline II helixtrans-81.6136.5174.731.9-32.1000111.4
612V28.7Very low28.2Very low135 Ų135133 Ų13382%0.81882%0.819SS**PPolyproline II helixtrans-79.9133.6170.8173.70000109.4
613L29.3Very low28.3Very low172 Ų172129.4 Ų129.490%0.90182%0.82SS**  trans-126.2110.1164.7-108.2162.6000108.7
614A28.9Very low28.4Very low89 Ų89128.2 Ų128.274%0.73683%0.829SS**  trans-88.6141.9-178.100000111.3
615S26.1Very low28.4Very low108 Ų108124.5 Ų124.576%0.75583%0.829SS**  trans-111.7131.9169.5-58.80000109.4
616P31Very low28.4Very low130 Ų130124.4 Ų124.484%0.84484%0.836SS**PPolyproline II helixtrans-82.4130.5171.731.9-31.1000110.7
617T28.1Very low28.5Very low129 Ų129130 Ų13079%0.79184%0.838SS**PPolyproline II helixtrans-99.7132.8173.237.90000111.4
618V28.4Very low28.5Very low141 Ų141131 Ų13186%0.85583%0.832SS**PPolyproline II helixtrans-78.8131.7172.4174.80000109.2
619Q28.2Very low28.5Very low177 Ų177135.4 Ų135.483%0.82783%0.832SS**PPolyproline II helixtrans-100.3142172.6-73.1-175.6-15.700111.5
620S24.5Very low28.3Very low111 Ų111133.5 Ų133.578%0.77683%0.826SS**  trans-140.7123.2162.3-70.40000107.6
621P34.2Very low28.1Very low134 Ų134140 Ų14087%0.8783%0.832SS**  trans-86.4133.1-174.632.1-32.7000112
622L28.6Very low27.7Very low180 Ų180137 Ų13794%0.94282%0.824SS**  trans-87.1133.1165.2-93.5154.7000109.6
623A29.5Very low27.6Very low99 Ų99135.5 Ų135.582%0.81882%0.82SS**  trans-104.9142.6177.100000111.5
624A28Very low27.6Very low107 Ų107133 Ų13388%0.88482%0.817SS**  trans-149.2130.8164.700000110.9
625G27.7Very low27.6Very low83 Ų83132.2 Ų132.286%0.85681%0.81SS**  trans105.278.315100000119.9
626G25.8Very low27.9Very low76 Ų76134.9 Ų134.978%0.78482%0.815SS**  104.9140.8116.900000121.4
627R28.4Very low27.9Very low242 Ų242134.6 Ų134.691%0.91381%0.811SS**  trans89.5104.9155.4-61.7-173.1175.6-169.7-1120.3
628S26.2Very low27.8Very low103 Ų103131.6 Ų131.672%0.7281%0.806SS**  84.2103.6123.3-550000122.1
629F25.2Very low28.5Very low198 Ų198130.4 Ų130.487%0.86880%0.801SS**  trans69.4144.1130.6-88-80000124.1
630Q24.2Very low28.6Very low171 Ų171129.8 Ų129.880%0.79980%0.802SS**  trans84.797.2152.3-77.6179.5-16.600122.1
631Y24.4Very low28.9Very low227 Ų227129.9 Ų129.989%0.8980%0.803SS**  61.1126.6110-118.3-88.3000122.5
632G25.8Very low28.6Very low64 Ų64126.9 Ų126.966%0.6680%0.796SS**  trans91.3151.4153.700000115.5
633S27.1Very low28.7Very low104 Ų104123.8 Ų123.873%0.72779%0.789SS**  cis172.9144.5-11.6-103.10000105.5
634S29.2Very low28.7Very low120 Ų120127.2 Ų127.284%0.83979%0.788SS**  trans69.2152.8158.6-58.70000116.4
635A29.7Very low28.6Very low72 Ų72130.4 Ų130.460%0.59579%0.79SS**  cis-171.2158.1-5.300000110.6
636L31.4Very low28.5Very low165 Ų165131.4 Ų131.486%0.86478%0.784SS**  trans54.5140.2143.8-74.6139.9000118.4
637T31.3Very low28.6Very low123 Ų123135.5 Ų135.576%0.75579%0.786SS**  cis-149.4157.32446.40000112
638G25.1Very low28.6Very low66 Ų66129.2 Ų129.268%0.6878%0.775SS**  trans-78.4-158.7161.100000112.9
639P43.9Very low28.7Very low117 Ų117131.5 Ų131.576%0.7677%0.774SS**  cis-141.3160.319.332.8-9.7000119.6
640I31Very low28.7Very low163 Ų163129.5 Ų129.584%0.83677%0.768SS**  trans57.9111.2138.8-57.6162.6000121.1
641S29.5Very low28.8Very low114 Ų114129.3 Ų129.380%0.79777%0.766SS**  166.7107109.7-163.30000109
642G29Very low28.8Very low70 Ų70126.5 Ų126.572%0.72277%0.765SS**  79108.185.500000111
643S30.2Very low28.8Very low115 Ų115127.9 Ų127.980%0.80477%0.77SS**  cis-170.7146.737.246.80000114.4
644Q28.9Very low28.7Very low172 Ų172128.2 Ų128.280%0.80477%0.772SS**  trans63.198.6133.5-65.6-78.8-12.600121.9
645L27.1Very low29Very low174 Ų174128.6 Ų128.691%0.91177%0.772SS**  -175.1109115.6-107160.4000111.9
646S24.5Very low29Very low104 Ų104130.9 Ų130.973%0.72778%0.778SS**  trans-157.5114.5168.760.20000112.9
647L28.1Very low28.7Very low161 Ų161132 Ų13284%0.84378%0.779SS**  56.5133125.6-96.2153.9000122.1
648V28.2Very low28.4Very low110 Ų110136.9 Ų136.967%0.66778%0.783SS**  trans79146.5147.9-109.40000125.4
649Q28.2Very low29.2Very low151 Ų151138.5 Ų138.571%0.70678%0.782SS**  trans76150.7148.8-114.291.333.600116.8
650Q26.9Very low28.3Very low157 Ų157137.9 Ų137.973%0.73478%0.78SS**  cis-155173.810.2-157.7149.323.500112.5
651H25.7Very low28Very low166 Ų166137.6 Ų137.677%0.76978%0.777SS**  trans-26.6150.1171.1-70.9-82.2000119
652I25Very low27.8Very low169 Ų169139.3 Ų139.387%0.86777%0.772SS**  -174.3166.6101.7-92.6171.1000111.4
653A25Very low27.7Very low92 Ų92144.9 Ų144.976%0.7678%0.776SS**  trans-56.3168.7-166.400000120.6
654S25.7Very low27.6Very low112 Ų112145.2 Ų145.278%0.78378%0.779SS**  trans-58166.7177.5-35.10000115.7
655P34.9Very low27.7Very low127 Ų127142.8 Ų142.883%0.82578%0.776SS**  -145.5163.689.938.2-21.9000118.3
656V28.5Very low27.8Very low120 Ų120142.6 Ų142.673%0.72777%0.77SS**  trans-32.4135.3166.1175.20000117.3
657H26.6Very low28Very low189 Ų189142.2 Ų142.288%0.87577%0.767SS**  -164.9140.5123.2-112-74.1000115.6
658R24.1Very low28.1Very low226 Ų226143 Ų14385%0.85377%0.772SS**  trans-96.5177.6164.7-119.8-176.8-173.2-178.73.2108.3
659P42Very low28.2Very low100 Ų100146.1 Ų146.165%0.64978%0.779SS**  cis-141.1-166.2-7.438.5-17.5000115.3
660S24.8Very low28.2Very low104 Ų104146.4 Ų146.473%0.72778%0.784SS**  trans76156.8152.8840000118
661M25.1Very low28.3Very low156 Ų156141.9 Ų141.977%0.76878%0.78SS**  cis-160.8149.2-5.3-128.1158.473.600112
662H25.6Very low28.4Very low150 Ų150139.2 Ų139.269%0.69478%0.78SS**  trans66.9142147.3-88.5-57.4000126.8
663K26.9Very low28.7Very low187 Ų187138.5 Ų138.581%0.81378%0.777SS**  trans77.998.8141.8-75.4172.2-178.3-178.40119.2
664S27Very low28.9Very low122 Ų122137.8 Ų137.885%0.85377%0.766SS**  trans-101.5154.9143.352.70000110.5
665T31.1Very low29.2Very low122 Ų122139.9 Ų139.975%0.74876%0.763SS**  trans-118.1150.4-171.417.30000112
666H30.7Very low29Very low170 Ų170139.5 Ų139.579%0.78775%0.754SS**  trans48.4110.9155.8-71.7-73.4000119.1
667S28.6Very low29.1Very low95 Ų95139.2 Ų139.266%0.66475%0.753SS**  cis95.712048.570.80000114.2
668L29Very low29.2Very low179 Ų179141.2 Ų141.294%0.93775%0.753SS**  trans-158.4148.5137.5-104.1172.4000110.5
669H30.5Very low29.5Very low175 Ų175134.1 Ų134.181%0.8174%0.742SS**  trans-78.6173.4-176.9-103.8-75.5000112
670L29.4Very low28.8Very low157 Ų157137.6 Ų137.682%0.82276%0.755SS**  cis-161.8154.429.1-169.459.5000112.3
671G27.2Very low28.8Very low62 Ų62138 Ų13864%0.63976%0.757SS**  trans104.990.5160.200000116.1
672S29.8Very low29Very low110 Ų110134.6 Ų134.677%0.76975%0.754SS**  55.3126.578.3172.10000113.7
673L30.2Very low29.2Very low154 Ų154133.3 Ų133.381%0.80676%0.762SS**  cis-166.4157.2-1.3-99.1170.6000105.9
674S29.3Very low29.4Very low77 Ų77133 Ų13354%0.53876%0.764SS.*  cis-158179-5-1510000111.8
675Q32.4Very low30Very low155 Ų155132.8 Ų132.872%0.72476%0.759SS**  trans9.7147.3143.4-67.7176.1-88.500121.4
676D30.3Very low29.8Very low119 Ų119132.1 Ų132.164%0.63676%0.76SS**  cis-160.5140.8-2.2-95.3-31.8000105.8
677V30.3Very low29.9Very low114 Ų114131.8 Ų131.869%0.69176%0.763SS**  58.5122.459.7-176.40000111.1
678R29.5Very low30.4Very low231 Ų231133.1 Ų133.187%0.87277%0.769SS**  cis-156.6166.915.4-146.1174.5-149.6123.54.3110.5
679A29.1Very low30.4Very low77 Ų77133.3 Ų133.364%0.63677%0.765SS**  trans-80.5155.816700000113.1
680L27.2Very low30.4Very low174 Ų174133.9 Ų133.991%0.91177%0.768SS**  163.2144.3112.2-89.2166.1000114.9
681S26.2Very low30.3Very low111 Ų111129.6 Ų129.678%0.77676%0.762SS**  trans91.9114.1143-138.10000122.7
682A29.8Very low30.4Very low85 Ų85134.2 Ų134.270%0.70278%0.777SS**  79150.6126.100000124.2
683S28.8Very low30.5Very low124 Ų124137.3 Ų137.387%0.86778%0.779SS**  trans85.4135.7160.966.20000120
684Q32.1Very low31.2Very low181 Ų181135.5 Ų135.585%0.84678%0.777SS**  trans-73.4170.8173.5-53.6173.8-45.400110.6
685P37.9Very low31.1Very low116 Ų116135.8 Ų135.875%0.75378%0.784SS**  -152.9162.792.139.1-20.1000118.5
686S28.6Very low31.2Very low109 Ų109134.6 Ų134.676%0.76279%0.787SS**  trans5.6153.2154580000126.3
687L32.5Very low31.6Very low162 Ų162135.1 Ų135.185%0.84880%0.797SS**  trans-40.8164.7157.5-67.4154.7000117.3
688P38Very low31.7Very low124 Ų124134.8 Ų134.881%0.80580%0.8SS**  trans-130.8161.4138.538.4-27.4000114.6
689H28.8Very low33Very low182 Ų182129 Ų12984%0.84379%0.792SS**  trans-148.7158.8170-145.4-75.5000110.1
690E31.1Very low33.6Very low188 Ų188131.1 Ų131.188%0.87980%0.799SS**  trans72.1144.4-179.1-52.1-168.6116.400116.7
691G28.1Very low33.8Very low67 Ų67131.9 Ų131.969%0.69180%0.798SS**  cis173.8-178.2-5.300000113.5
692V28.3Very low34.1Very low158 Ų158131.4 Ų131.496%0.95880%0.795SS**  trans95.5147.8170.3-1690000118.3
693Q32.2Very low34.1Very low176 Ų176134.5 Ų134.582%0.82280%0.798SS**  trans-119.7-179.5-154.2-120.8-177.727.400111.9
694P44.6Very low34.1Very low116 Ų116136.6 Ų136.675%0.75379%0.794SS**  cis-153.8-179.249.141.7-18.5000120.7
695A27.6Very low33.9Very low83 Ų83134.2 Ų134.269%0.68679%0.791SS**  trans92.284.8151.600000123.3
696V33.4Very low33.4Very low129 Ų129133.4 Ų133.478%0.78279%0.788SS**  39.1128.2108179.10000118.3
697P39.8Very low33.4Very low131 Ų131133 Ų13385%0.85179%0.785SS**  -139.8-178.467.937-17000119.2
698S31.8Very low33.4Very low107 Ų107131.5 Ų131.575%0.74878%0.783SS**  trans-115.6-173.7-147.4-31.50000114.3
699P57.2Low33Very low109 Ų109129.9 Ų129.971%0.70878%0.775SS**  trans-113.2-164.7-14946.4-41.3000116.1
700P42.4Very low33.1Very low121 Ų121129.1 Ų129.179%0.78678%0.775SS**  -130.5142.412335.2-24.5000111.7
701Q30.4Very low32.8Very low190 Ų190123.1 Ų123.189%0.88876%0.764SS**  80.612961-82.5-163.1-7.900117
702S32.9Very low33.9Very low102 Ų102126 Ų12671%0.71377%0.771SS**  trans-67168.6-175.652.10000117.6
703I29.2Very low35Very low150 Ų150123.5 Ų123.577%0.76976%0.758SS**  trans-169.6133.4137.5-102.6153.1000114.7
704Q28.4Very low35Very low167 Ų167124 Ų12478%0.7876%0.76SS**  trans46132146.9-65172.2-34.100123.4
705V28.6Very low34.3Very low131 Ų131124.7 Ų124.779%0.79476%0.762SS**  63.3119.676.7-172.40000112
706S27.7Very low35.2Very low99 Ų99127 Ų12769%0.69277%0.77SS**  -173.7136.669.1-27.10000109.7
707S29.2Very low35Very low100 Ų100129.7 Ų129.770%0.69978%0.777SS**  68.9136.691.879.10000120.4
708T30.9Very low34.4Very low131 Ų131127 Ų12780%0.80477%0.773SS**  trans66.4148.9154.949.50000120.4
709S30.1Very low35Very low90 Ų90128 Ų12863%0.62978%0.776SS**  cis-178.3168.3-13.656.80000112.6
710I31.7Very low33.7Very low166 Ų166126.9 Ų126.985%0.85178%0.777SS**  trans78.7134.1155.1-64.2157.9000119.3
711G25.2Very low32.9Very low63 Ų63126 Ų12665%0.64977%0.774SS**  trans-113.7-142.5165.700000110.9
712P49.3Very low32.9Very low127 Ų127123.8 Ų123.883%0.82577%0.766SS**  cis-122.5-128.6-22.140.9-21.1000108.8
713P51.9Low32.6Very low105 Ų105129.6 Ų129.668%0.68277%0.773SS**  -119.5175.7-52.835.2-18.7000113.6
714Q32Very low32.6Very low188 Ų188127.6 Ų127.688%0.87977%0.772SS**  162.3148.9126.3-88.1-176.46.500114
715T31.5Very low32.7Very low129 Ų129123.8 Ų123.879%0.79177%0.769SS**  trans-97.8164.9176.645.50000111.8
716P44.7Very low32.8Very low132 Ų132124 Ų12486%0.85777%0.77SS**  -143.7-177.4106.335.3-18.2000115.2
717M30.2Very low33.4Very low186 Ų186124.9 Ų124.992%0.91677%0.773SS**  trans-95134.1-164-56.8170.6-123.600115.4
718G26.7Very low33.4Very low74 Ų74129.3 Ų129.376%0.76378%0.783SS**  trans50.8-177.5142.300000122.2
719P45.3Very low33.3Very low127 Ų127134.4 Ų134.483%0.82579%0.788SS**  cis-132.1172.1-10.741.5-26.1000115.9
720A28.9Very low33.3Very low87 Ų87136.1 Ų136.172%0.71979%0.794SS**  trans70.3106.9146.700000122.9
721S26.5Very low33.2Very low103 Ų103134 Ų13472%0.7279%0.789SS**  109.2138.311984.70000121.3
722I30.1Very low33.5Very low142 Ų142138.3 Ų138.373%0.72880%0.796SS**  trans84.9115148.5-69.6163.3000120.5
723R27.5Very low32.8Very low225 Ų225137.9 Ų137.985%0.84979%0.793SS**  trans71.8107.7147-80.3173.5-175.2172.50.8122.2
724S28.3Very low31.6Very low108 Ų108141.9 Ų141.976%0.75580%0.802SS**  43.9117.8122.265.20000120.8
725A30.3Very low31.4Very low87 Ų87142.1 Ų142.172%0.71980%0.803SS**  179.117410700000111.5
726V30.2Very low31.2Very low136 Ų136144.9 Ų144.982%0.82481%0.81SS**  trans77.4139.5161.6-162.90000116.2
727P41.1Very low30.3Very low116 Ų116144.1 Ų144.175%0.75381%0.807SS**  cis-128.2176.4-3538-22.3000113.4
728Q29.4Very low30.3Very low194 Ų194141.8 Ų141.891%0.90780%0.803SS**  trans-67.4137.3165.8-69.2170.3-54.900111.4
729R28.5Very low30.3Very low238 Ų238141.3 Ų141.390%0.89880%0.798SS**  trans-111.4114165.4-159.4178.9-157.1175.56.5108.8
730V30.9Very low29.8Very low125 Ų125139.6 Ų139.676%0.75879%0.794SS**  trans-69.2127.8175.4175.10000109.2L732V730-L732 HydrophobicContact CG1-CD1 4.42Å
731V28.4Very low29.8Very low123 Ų123144.8 Ų144.875%0.74580%0.801SS**  trans-133.9114.2166.9-179.50000107.4
732L32Very low30.6Very low153 Ų153149.2 Ų149.280%0.80183%0.828SS**  trans-84.3137.6169.8-86.6125.2000110V730V730-L732 HydrophobicContact CG1-CD1 4.42Å
733P33.3Very low30.6Very low117 Ų117149.6 Ų149.676%0.7683%0.833SS**  trans-105162.5150.820.4-3.3000111.9
734H28.5Very low30.8Very low189 Ų189145.6 Ų145.688%0.87583%0.832SS**  trans-63.2146.7-165.5-79.3-68.2000116.6
735Q27Very low30.9Very low193 Ų193147.7 Ų147.790%0.90284%0.836SS**  trans-62.9127.1154.2-71.1176.9-47.100110.3
736M27.1Very low30.9Very low188 Ų188151.3 Ų151.393%0.92684%0.843SS**  trans-97.9111.2150.9-85.3-172.8152.200108.3
737S25.1Very low31Very low115 Ų115152.3 Ų152.380%0.80484%0.844SS**  trans-81.1120.6173.6-177.10000109.4G739S737-G739 PolarHBondContact O-N 3.11Å
738V31.2Very low30.3Very low138 Ų138154.7 Ų154.784%0.83685%0.85SS**  trans-78.9110.7169.61800000107.9
739G26.2Very low30.4Very low64 Ų64151.9 Ų151.966%0.6685%0.846SS**  trans-70.6129.1178.900000112.2S737S737-G739 PolarHBondContact O-N 3.11Å
740A35.5Very low30.5Very low90 Ų90145.2 Ų145.274%0.74484%0.842SS**  trans-104.8120.6165.100000109.1
741F29.3Very low30.5Very low197 Ų197146.9 Ų146.986%0.86485%0.849SS**  trans-163.7154.6173-78.8-68.7000109.3
742P42.3Very low30.7Very low196 Ų196149.1 Ų149.1100%1.27386%0.859SS**  cis-119.70-48.124.7-6.5000112.6

Retrieved 742 of 742 residues in 274.1 ms (Link to these results)

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