A0A077ZDV0_TRITR Loading...

Potassium voltage gated channel subfamily KQT

AlphaFold DB , UniProt , Accession A0A077ZDV0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 413 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
1M58.2Low67.3Low197 Ų197115.8 Ų115.897%0.9762%0.621SS**  0-51.50-106.7-168-79.700112.7A3 L4 I5M1-A3 VanDerWaalsContact C-N 3.34Å; M1-A3 PolarHBondContact O-N 3.36Å; M1-L4 WeakPolarHBondContact O-CB 3.45Å; M1-L4 PolarHBondContact O-N 2.92Å; M1-I5 PolarHBondContact O-N 3.08Å
2E65.3Low67.2Low159 Ų159118.7 Ų118.774%0.74362%0.623SS**Hα-helixtrans-55.2-40.6179.8-72.2-173.9144.100114.6L4 I5 N6E2-L4 VanDerWaalsContact C-N 3.29Å; E2-L4 PolarHBondContact O-N 2.88Å; E2-I5 PolarHBondContact O-N 3.47Å; E2-N6 WeakPolarHBondContact O-CB 3.46Å; E2-N6 PolarHBondContact O-N 3.2Å
3A70.7Confident66.7Low78 Ų78117.8 Ų117.865%0.64562%0.619SS**Hα-helixtrans-62.4-34.4176.700000113.3M1 K7M1-A3 VanDerWaalsContact C-N 3.34Å; M1-A3 PolarHBondContact O-N 3.36Å; A3-K7 PolarHBondContact O-N 3.08Å
4L71.9Confident66.4Low123 Ų123115.8 Ų115.864%0.64461%0.607SS**Hα-helixtrans-73.5-41.5176.6-107.8147.9000111.1M1 E2 K7 V8M1-L4 WeakPolarHBondContact O-CB 3.45Å; M1-L4 PolarHBondContact O-N 2.92Å; E2-L4 VanDerWaalsContact C-N 3.29Å; E2-L4 PolarHBondContact O-N 2.88Å; L4-K7 PolarHBondContact O-N 3.26Å; L4-V8 WeakPolarHBondContact O-CG2 3.34Å; L4-V8 PolarHBondContact O-N 3.28Å
5I72.2Confident66.2Low105 Ų105113.7 Ų113.754%0.53860%0.596SS.*Hα-helixtrans-62.3-44.2175.1-65.1169.2000110.4M1 E2 V8 A9M1-I5 PolarHBondContact O-N 3.08Å; E2-I5 PolarHBondContact O-N 3.47Å; I5-V8 PolarHBondContact O-N 3.32Å; I5-A9 WeakPolarHBondContact O-CB 3.44Å; I5-A9 PolarHBondContact O-N 2.97Å
6N69.7Low65.8Low105 Ų105109.8 Ų109.856%0.56158%0.581SS**Hα-helixtrans-65.4-40.3177.2-79.5-18.3000112.3E2 A9 L10E2-N6 WeakPolarHBondContact O-CB 3.46Å; E2-N6 PolarHBondContact O-N 3.2Å; N6-A9 PolarHBondContact O-N 3.35Å; N6-L10 WeakPolarHBondContact O-CB 3.33Å; N6-L10 PolarHBondContact O-N 2.87Å
7K68.9Low65.3Low165 Ų165112.1 Ų112.172%0.71759%0.588SS**Hα-helixtrans-61.8-45.3173.6-100.7-176174.3-1790112.3A3 L4 L10 N11A3-K7 PolarHBondContact O-N 3.08Å; L4-K7 PolarHBondContact O-N 3.26Å; K7-L10 PolarHBondContact O-N 2.94Å; K7-N11 WeakPolarHBondContact O-CB 3.39Å; K7-N11 PolarHBondContact O-N 2.88Å
8V69.6Low64.8Low83 Ų83111.6 Ų111.650%0.50358%0.582SS.*Hα-helixtrans-66.3-38.8178.7172.90000111.4L4 I5 K12L4-V8 WeakPolarHBondContact O-CG2 3.34Å; L4-V8 PolarHBondContact O-N 3.28Å; I5-V8 PolarHBondContact O-N 3.32Å; V8-K12 PolarHBondContact O-N 3.29Å
9A65Low64.3Low46 Ų46111.3 Ų111.338%0.3858%0.581SS.*Hα-helixtrans-66.7-40.9175.900000112.6I5 N6 N13I5-A9 WeakPolarHBondContact O-CB 3.44Å; I5-A9 PolarHBondContact O-N 2.97Å; N6-A9 PolarHBondContact O-N 3.35Å; A9-N13 PolarHBondContact O-N 3.05Å; A9-N13 VanDerWaalsContact O-N 3.08Å
10L64.5Low63.7Low123 Ų123111.5 Ų111.564%0.64458%0.578SS**Hα-helixtrans-64-43.1174.8-110.8145.8000111.9N6 K7 N13 M14N6-L10 WeakPolarHBondContact O-CB 3.33Å; N6-L10 PolarHBondContact O-N 2.87Å; K7-L10 PolarHBondContact O-N 2.94Å; L10-N13 PolarHBondContact O-N 3.05Å; L10-M14 WeakPolarHBondContact O-CB 3.43Å; L10-M14 PolarHBondContact O-N 3.06Å
11N64.6Low63.1Low90 Ų90108.2 Ų108.248%0.48157%0.568SS.*Hα-helixtrans-65.1-43.2179.3-136.129000111.3K7 N13 M14 D15K7-N11 WeakPolarHBondContact O-CB 3.39Å; K7-N11 PolarHBondContact O-N 2.88Å; N11-N13 VanDerWaalsContact C-N 3.34Å; N11-N13 PolarHBondContact O-N 2.81Å; N11-M14 PolarHBondContact O-N 2.92Å; N11-D15 WeakPolarHBondContact O-CB 3.3Å; N11-D15 VanDerWaalsContact O-CG 3.25Å; N11-D15 PolarHBondContact O-N 2.89Å
12K66.2Low62.6Low150 Ų150107.3 Ų107.365%0.65255%0.554SS**Hα-helixtrans-60.7-38.9174.1-97-176.5174.6177.30113.3V8 S16V8-K12 PolarHBondContact O-N 3.29Å; K12-S16 WeakPolarHBondContact O-CB 3.49Å; K12-S16 PolarHBondContact O-N 3.25Å; K12-S16 PolarHBondContact O-OG 2.93Å
13N60.3Low61.9Low107 Ų107105.6 Ų105.657%0.57255%0.546SS*.Hα-helixtrans-69.6-40.2177-78.8-10.4000111.7A9 L10 N11 S16 E17A9-N13 PolarHBondContact O-N 3.05Å; A9-N13 VanDerWaalsContact O-N 3.08Å; L10-N13 PolarHBondContact O-N 3.05Å; N11-N13 VanDerWaalsContact C-N 3.34Å; N11-N13 PolarHBondContact O-N 2.81Å; N13-S16 WeakPolarHBondContact CA-OG 3.33Å; N13-S16 PolarHBondContact O-N 3.33Å; N13-S16 PolarHBondContact O-OG 2.91Å; N13-S16 VanDerWaalsContact O-OG 3.07Å; N13-E17 WeakPolarHBondContact O-CB 3.45Å; N13-E17 WeakPolarHBondContact O-CG 3.37Å; N13-E17 PolarHBondContact O-N 3.07Å
14M62Low60.9Low90 Ų90110.1 Ų110.144%0.44355%0.553SS.*Hα-helixtrans-66.5-42.8176.6-169.4177.965.200111.6L10 N11 E17 Q18L10-M14 WeakPolarHBondContact O-CB 3.43Å; L10-M14 PolarHBondContact O-N 3.06Å; N11-M14 PolarHBondContact O-N 2.92Å; M14-E17 PolarHBondContact O-N 2.97Å; M14-Q18 WeakPolarHBondContact O-CB 3.46Å; M14-Q18 VanDerWaalsContact O-CG 3.3Å; M14-Q18 WeakPolarHBondContact O-CG 3.45Å; M14-Q18 PolarHBondContact O-N 3.23Å
15D64.2Low59.5Low84 Ų84112.6 Ų112.645%0.44955%0.554SS.*Hα-helixtrans-64.3-40.9177.2-70.4-26.6000111.6N11 Q18 L19N11-D15 WeakPolarHBondContact O-CB 3.3Å; N11-D15 VanDerWaalsContact O-CG 3.25Å; N11-D15 PolarHBondContact O-N 2.89Å; D15-Q18 PolarHBondContact O-N 3.48Å; D15-L19 VanDerWaalsContact O-CB 3.25Å; D15-L19 WeakPolarHBondContact O-CB 3.46Å; D15-L19 PolarHBondContact O-N 3.48Å
16S59.8Low58.2Low51 Ų51112.5 Ų112.536%0.35756%0.558SS.*Hα-helixtrans-71.4-35.1177.447.50000113.1K12 N13 H20K12-S16 WeakPolarHBondContact O-CB 3.49Å; K12-S16 PolarHBondContact O-N 3.25Å; K12-S16 PolarHBondContact O-OG 2.93Å; N13-S16 WeakPolarHBondContact CA-OG 3.33Å; N13-S16 PolarHBondContact O-N 3.33Å; N13-S16 PolarHBondContact O-OG 2.91Å; N13-S16 VanDerWaalsContact O-OG 3.07Å; S16-H20 VanDerWaalsContact O-CB 3.32Å; S16-H20 WeakPolarHBondContact O-CB 3.47Å; S16-H20 PolarHBondContact O-CD2 3.15Å; S16-H20 VanDerWaalsContact O-CD2 3.27Å; S16-H20 PolarHBondContact O-N 3.08Å
17E57.6Low57.4Low149 Ų149111.8 Ų111.870%0.69657%0.567SS**Hα-helixtrans-66.8-40170.2-76.8-162.2151.600112.1N13 M14 A21N13-E17 WeakPolarHBondContact O-CB 3.45Å; N13-E17 WeakPolarHBondContact O-CG 3.37Å; N13-E17 PolarHBondContact O-N 3.07Å; M14-E17 PolarHBondContact O-N 2.97Å; E17-A21 WeakPolarHBondContact O-CB 3.5Å; E17-A21 PolarHBondContact O-N 3.44Å
18Q55.5Low56.9Low104 Ų104112.1 Ų112.149%0.48657%0.571SS.*Hα-helixtrans-68.6-38.2175.8-73.7-172.37.100112.5M14 D15 A21 R22M14-Q18 WeakPolarHBondContact O-CB 3.46Å; M14-Q18 VanDerWaalsContact O-CG 3.3Å; M14-Q18 WeakPolarHBondContact O-CG 3.45Å; M14-Q18 PolarHBondContact O-N 3.23Å; D15-Q18 PolarHBondContact O-N 3.48Å; Q18-A21 PolarHBondContact O-N 3.01Å; Q18-R22 WeakPolarHBondContact O-CB 3.28Å; Q18-R22 WeakPolarHBondContact O-CG 3.3Å; Q18-R22 PolarHBondContact O-N 2.9Å
19L55Low56.7Low105 Ų105113.2 Ų113.255%0.5557%0.572SS.*Hα-helixtrans-66.1-47.6175.7-151.792.5000110.6D15 A21 R22 E23D15-L19 VanDerWaalsContact O-CB 3.25Å; D15-L19 WeakPolarHBondContact O-CB 3.46Å; D15-L19 PolarHBondContact O-N 3.48Å; L19-A21 VanDerWaalsContact C-N 3.33Å; L19-A21 PolarHBondContact O-N 3.33Å; L19-R22 PolarHBondContact O-N 3.37Å; L19-R22 VanDerWaalsContact O-N 3.1Å; L19-E23 PolarHBondContact O-N 3.37Å
20H53.9Low57.6Low115 Ų115115.2 Ų115.253%0.53258%0.58SS.*Hα-helixtrans-64.7-35.6174.7-83.3-51.2000112.6S16 R22 E23 H24S16-H20 VanDerWaalsContact O-CB 3.32Å; S16-H20 WeakPolarHBondContact O-CB 3.47Å; S16-H20 PolarHBondContact O-CD2 3.15Å; S16-H20 VanDerWaalsContact O-CD2 3.27Å; S16-H20 PolarHBondContact O-N 3.08Å; H20-R22 VanDerWaalsContact C-N 3.33Å; H20-E23 IonicContact ND1-OE2 2.69Å; H20-H24 WeakPolarHBondContact O-CB 3.39Å; H20-H24 PolarHBondContact O-N 2.87Å
21A50.6Low58.6Low44 Ų44118.9 Ų118.936%0.36459%0.585SS.*Hα-helixtrans-68.3-3217300000111.9E17 Q18 L19 R25E17-A21 WeakPolarHBondContact O-CB 3.5Å; E17-A21 PolarHBondContact O-N 3.44Å; Q18-A21 PolarHBondContact O-N 3.01Å; L19-A21 VanDerWaalsContact C-N 3.33Å; L19-A21 PolarHBondContact O-N 3.33Å; A21-R25 WeakPolarHBondContact O-CG 3.33Å; A21-R25 PolarHBondContact O-NE 2.93Å; A21-R25 PolarHBondContact O-NH2 3.42Å
22R47.4Very low59.8Low177 Ų177117.3 Ų117.367%0.66858%0.575SS**Hα-helixtrans-73-45.5173.9-84.8-178.5173175.5-0.1111.7Q18 L19 H20 H24 R25Q18-R22 WeakPolarHBondContact O-CB 3.28Å; Q18-R22 WeakPolarHBondContact O-CG 3.3Å; Q18-R22 PolarHBondContact O-N 2.9Å; L19-R22 PolarHBondContact O-N 3.37Å; L19-R22 VanDerWaalsContact O-N 3.1Å; H20-R22 VanDerWaalsContact C-N 3.33Å; R22-H24 VanDerWaalsContact C-N 3.34Å; R22-H24 PolarHBondContact O-N 3.43Å; R22-R25 PolarHBondContact O-N 2.98Å; R22-R25 VanDerWaalsContact O-N 3.17Å
23E50.9Low60.8Low123 Ų123110.4 Ų110.458%0.57555%0.546SS*.Hα-helixtrans-65.1-33.8178.1-74.3-178.2158.200113L19 H20 R25L19-E23 PolarHBondContact O-N 3.37Å; H20-E23 IonicContact ND1-OE2 2.69Å; E23-R25 VanDerWaalsContact C-N 3.26Å; E23-R25 PolarHBondContact O-N 2.99Å
24H48.2Very low62.1Low173 Ų173112.6 Ų112.680%0.80155%0.547SS*.THydrogen-bonded Turntrans-73.2-12.3176.1-102.4-73.8000114.5H20 R22H20-H24 WeakPolarHBondContact O-CB 3.39Å; H20-H24 PolarHBondContact O-N 2.87Å; R22-H24 VanDerWaalsContact C-N 3.34Å; R22-H24 PolarHBondContact O-N 3.43Å
25R44.5Very low63.4Low176 Ų176111.1 Ų111.166%0.66454%0.54SS*.THydrogen-bonded Turntrans-89.6-23.3-176.7-87.9178-77.2-168.7-4.6114.5A21 R22 E23A21-R25 WeakPolarHBondContact O-CG 3.33Å; A21-R25 PolarHBondContact O-NE 2.93Å; A21-R25 PolarHBondContact O-NH2 3.42Å; R22-R25 PolarHBondContact O-N 2.98Å; R22-R25 VanDerWaalsContact O-N 3.17Å; E23-R25 VanDerWaalsContact C-N 3.26Å; E23-R25 PolarHBondContact O-N 2.99Å
26T44.6Very low64.5Low102 Ų102107.7 Ų107.763%0.62652%0.521SS*.  trans-122.724-161.954.60000116.2E28T26-E28 PolarHBondContact O-N 3.35Å
27A51.5Low65.6Low91 Ų91106.9 Ų106.975%0.75251%0.514SS*.SBendtrans-7379152.400000107.6M29A27-M29 PolarHBondContact O-N 2.93Å
28E58.3Low67Low172 Ų172103.1 Ų103.180%0.80450%0.495SS*.  trans-49.4110.5179-69.3-169162.100108.8T26 T30T26-E28 PolarHBondContact O-N 3.35Å; E28-T30 PolarHBondContact O-N 3.35Å
29M66.1Low68.4Low105 Ų10598.8 Ų98.852%0.51748%0.475SS..  trans-57.2120.6175-84.2-176143.700107.4A27 R34 T37A27-M29 PolarHBondContact O-N 2.93Å; M29-R34 HydrophobicContact CB-CG 3.92Å; M29-R34 PolarHBondContact O-NE 3.35Å; M29-T37 WeakPolarHBondContact CE-OG1 3.26Å
30T83.3Confident69.6Low88 Ų8897 Ų9754%0.5446%0.464SS..  trans-47149.4170.1590000109.2E28 Q32 G33 R34E28-T30 PolarHBondContact O-N 3.35Å; T30-Q32 CarbonylContact O-C 3.6Å; T30-Q32 PolarHBondContact O-N 3.49Å; T30-G33 WeakPolarHBondContact O-CA 3.25Å; T30-G33 PolarHBondContact O-N 2.92Å; T30-G33 PolarHBondContact OG1-N 3.5Å; T30-R34 PolarHBondContact O-N 3.5Å
31R86.1Confident70.6Confident200 Ų20098.2 Ų98.276%0.75546%0.464SS*.Hα-helixtrans-50.6-37.7-179.3-69.4-176.2-179.5-178.8-0.1111.9R34 I35R31-R34 PolarHBondContact O-N 2.81Å; R31-I35 WeakPolarHBondContact O-CG1 3.49Å; R31-I35 PolarHBondContact O-N 3.29Å; R31-I35 VanDerWaalsContact O-N 3.1Å
32Q89.2Confident71.8Confident58 Ų5898.9 Ų98.927%0.27146%0.464SS..Hα-helixtrans-58.7-46.1171.8-72178.9-16.100113.1T30 R34 I35 F36 W96 C100T30-Q32 CarbonylContact O-C 3.6Å; T30-Q32 PolarHBondContact O-N 3.49Å; Q32-R34 PolarHBondContact O-N 3.36Å; Q32-I35 PolarHBondContact O-N 3Å; Q32-F36 VanDerWaalsContact O-CB 3.27Å; Q32-F36 WeakPolarHBondContact O-CB 3.45Å; Q32-F36 PolarHBondContact O-N 2.89Å; Q32-W96 HydrophobicContact CG-CD2 4.49Å; Q32-W96 HydrophobicContact CG-CE3 4.33Å; Q32-W96 HydrophobicContact CG-CH2 3.54Å; Q32-W96 HydrophobicContact CG-CZ2 3.71Å; Q32-W96 HydrophobicContact CG-CZ3 3.87Å; Q32-C100 HydrophobicContact CB-CB 4.08Å
33G87.3Confident73.2Confident5 Ų595.1 Ų95.15%0.05246%0.462CS..Hα-helixtrans-64.1-36.1177.500000113.6T30 T37T30-G33 WeakPolarHBondContact O-CA 3.25Å; T30-G33 PolarHBondContact O-N 2.92Å; T30-G33 PolarHBondContact OG1-N 3.5Å; G33-T37 WeakPolarHBondContact O-CB 3.48Å; G33-T37 PolarHBondContact O-N 3Å; G33-T37 PolarHBondContact O-OG1 3.26Å
34R88.4Confident74.8Confident153 Ų15391.5 Ų91.558%0.57746%0.457SS*.Hα-helixtrans-65-49.7174-80.8-172-90.1170.7-9.7111.9M29 T30 R31 Q32 F36 T37 F38M29-R34 HydrophobicContact CB-CG 3.92Å; M29-R34 PolarHBondContact O-NE 3.35Å; T30-R34 PolarHBondContact O-N 3.5Å; R31-R34 PolarHBondContact O-N 2.81Å; Q32-R34 PolarHBondContact O-N 3.36Å; R34-F36 PolarHBondContact O-N 3.47Å; R34-T37 PolarHBondContact O-N 3.36Å; R34-F38 WeakPolarHBondContact O-CB 3.44Å; R34-F38 PolarHBondContact O-N 3.07Å
35I89Confident76.7Confident58 Ų5892.1 Ų92.130%0.29745%0.453SS..Hα-helixtrans-63.2-42.7178.1-67.3164.4000110.7R31 Q32 T37 F38 L39 W96R31-I35 WeakPolarHBondContact O-CG1 3.49Å; R31-I35 PolarHBondContact O-N 3.29Å; R31-I35 VanDerWaalsContact O-N 3.1Å; Q32-I35 PolarHBondContact O-N 3Å; I35-T37 VanDerWaalsContact C-N 3.33Å; I35-T37 PolarHBondContact O-N 3.31Å; I35-F38 PolarHBondContact O-N 2.94Å; I35-L39 HydrophobicContact CG2-CD1 3.74Å; I35-L39 HydrophobicContact CG2-CG 4.33Å; I35-L39 WeakPolarHBondContact O-CB 3.46Å; I35-L39 WeakPolarHBondContact O-CG 3.3Å; I35-L39 PolarHBondContact O-N 3.3Å; I35-W96 HydrophobicContact CD1-CZ3 3.81Å
36F87.2Confident78.8Confident12 Ų1290.5 Ų90.55%0.05345%0.45CS..Hα-helixtrans-62.2-41177-175.7-102.8000112.1Q32 R34 L39 E40 A98 R101 F113Q32-F36 VanDerWaalsContact O-CB 3.27Å; Q32-F36 WeakPolarHBondContact O-CB 3.45Å; Q32-F36 PolarHBondContact O-N 2.89Å; R34-F36 PolarHBondContact O-N 3.47Å; F36-L39 PolarHBondContact O-N 3.08Å; F36-E40 HydrophobicContact CE1-CB 4.28Å; F36-E40 HydrophobicContact CE1-CG 4.35Å; F36-E40 HydrophobicContact CE2-CB 4.17Å; F36-E40 HydrophobicContact CE2-CG 4.37Å; F36-E40 HydrophobicContact CZ-CB 4.03Å; F36-E40 HydrophobicContact CZ-CG 3.91Å; F36-E40 WeakPolarHBondContact O-CB 3.42Å; F36-E40 PolarHBondContact O-N 3.32Å; F36-A98 VanDerWaalsContact CD2-CA 3.49Å; F36-A98 HydrophobicContact CD2-CB 4.16Å; F36-A98 HydrophobicContact CE2-CB 3.87Å; F36-R101 HydrophobicContact CD1-CG 4.46Å; F36-R101 HydrophobicContact CE1-CG 3.95Å; F36-R101 HydrophobicContact CZ-CG 4.3Å; F36-F113 AromaticContact CE2-CE2 3.98Å; F36-F113 HydrophobicContact CE2-CE2 3.98Å; F36-F113 HydrophobicContact CE2-CZ 4.27Å; F36-F113 HydrophobicContact CZ-CE2 4.37Å
37T83.9Confident80.8Confident34 Ų3486 Ų8621%0.20942%0.423CS..Hα-helixtrans-66.6-43.2177.3-56.10000110.5M29 G33 R34 I35 L39 R41M29-T37 WeakPolarHBondContact CE-OG1 3.26Å; G33-T37 WeakPolarHBondContact O-CB 3.48Å; G33-T37 PolarHBondContact O-N 3Å; G33-T37 PolarHBondContact O-OG1 3.26Å; R34-T37 PolarHBondContact O-N 3.36Å; I35-T37 VanDerWaalsContact C-N 3.33Å; I35-T37 PolarHBondContact O-N 3.31Å; T37-L39 PolarHBondContact O-N 3.29Å; T37-R41 HydrophobicContact CG2-CB 4.41Å; T37-R41 CarbonylContact O-C 3.09Å; T37-R41 WeakPolarHBondContact O-CA 3.43Å; T37-R41 PolarHBondContact O-N 3.49Å
38F85.8Confident82.2Confident71 Ų7187 Ų8731%0.31141%0.412SS..Hα-helixtrans-58.6-43.7175-175.2-94.4000112.6R34 I35 C47 Y50 Y51R34-F38 WeakPolarHBondContact O-CB 3.44Å; R34-F38 PolarHBondContact O-N 3.07Å; I35-F38 PolarHBondContact O-N 2.94Å; F38-C47 HydrophobicContact CD2-CB 4.34Å; F38-C47 WeakPolarHBondContact CD2-SG 3.2Å; F38-C47 HydrophobicContact CE2-CB 4.21Å; F38-Y50 AromaticContact CE1-CD1 3.68Å; F38-Y50 HydrophobicContact CE1-CD1 3.68Å; F38-Y50 HydrophobicContact CE1-CD2 4.35Å; F38-Y50 HydrophobicContact CE1-CE1 4.1Å; F38-Y50 AromaticContact CE1-CG 3.81Å; F38-Y50 HydrophobicContact CE1-CG 3.81Å; F38-Y50 AromaticContact CZ-CD1 4Å; F38-Y50 HydrophobicContact CZ-CD1 4Å; F38-Y50 HydrophobicContact CZ-CD2 4.4Å; F38-Y50 AromaticContact CZ-CG 3.76Å; F38-Y50 HydrophobicContact CZ-CG 3.76Å; F38-Y51 PolarHBondContact O-OH 2.86Å
39L85.4Confident83.7Confident12 Ų1282.2 Ų82.26%0.06339%0.394CS..Hα-helixtrans-86.3-25.2-174.1-70176.3000116.3I35 F36 T37 Y50 Y51 E90 L93 R94I35-L39 HydrophobicContact CG2-CD1 3.74Å; I35-L39 HydrophobicContact CG2-CG 4.33Å; I35-L39 WeakPolarHBondContact O-CB 3.46Å; I35-L39 WeakPolarHBondContact O-CG 3.3Å; I35-L39 PolarHBondContact O-N 3.3Å; F36-L39 PolarHBondContact O-N 3.08Å; T37-L39 PolarHBondContact O-N 3.29Å; L39-Y50 HydrophobicContact CD2-CE1 4.31Å; L39-Y51 WeakPolarHBondContact CA-OH 3.44Å; L39-Y51 PolarHBondContact O-OH 3.35Å; L39-E90 HydrophobicContact CD2-CG 4.16Å; L39-L93 HydrophobicContact CD1-CB 4.05Å; L39-R94 HydrophobicContact CD1-CB 4.43Å
40E79.4Confident84.7Confident68 Ų6880.3 Ų80.332%0.31838%0.382SS..Hα-helixtrans-110.2-24.6-178-175.487.216800111.9F36 K116F36-E40 HydrophobicContact CE1-CB 4.28Å; F36-E40 HydrophobicContact CE1-CG 4.35Å; F36-E40 HydrophobicContact CE2-CB 4.17Å; F36-E40 HydrophobicContact CE2-CG 4.37Å; F36-E40 HydrophobicContact CZ-CB 4.03Å; F36-E40 HydrophobicContact CZ-CG 3.91Å; F36-E40 WeakPolarHBondContact O-CB 3.42Å; F36-E40 PolarHBondContact O-N 3.32Å; E40-K116 IonicContact OE1-NZ 2.73Å; E40-K116 PolarHBondContact OE1-NZ 3.31Å
41R75.1Confident84.7Confident141 Ų14178.6 Ų78.653%0.53237%0.366SS..SBendtrans-135.775.1-174.2-66.4-176.6179.5-168.9-6.3110.3T37 T43T37-R41 HydrophobicContact CG2-CB 4.41Å; T37-R41 CarbonylContact O-C 3.09Å; T37-R41 WeakPolarHBondContact O-CA 3.43Å; T37-R41 PolarHBondContact O-N 3.49Å; R41-T43 PolarHBondContact O-N 3.07Å
42P76.3Confident84.6Confident57 Ų5775.5 Ų75.537%0.3736%0.358SS..  trans-57.6107.3179.222-31.9000110C47 Y51P42-C47 HydrophobicContact CB-CB 3.73Å; P42-Y51 HydrophobicContact CB-CD2 3.98Å; P42-Y51 HydrophobicContact CB-CE2 3.76Å; P42-Y51 HydrophobicContact CG-CD2 4.48Å; P42-Y51 HydrophobicContact CG-CE2 4.19Å
43T76.1Confident84.5Confident99 Ų9975.8 Ų75.861%0.60736%0.364SS*.  trans-121.3127.3172.955.30000108.6R41 C47R41-T43 PolarHBondContact O-N 3.07Å; T43-C47 PolarHBondContact O-SG 2.9Å
44G84.5Confident84.2Confident47 Ų4776.2 Ų76.249%0.48537%0.366SS..SBendtrans87.6163.8179.500000113.9K46 C47 H48G44-K46 PolarHBondContact O-N 3.31Å; G44-C47 PolarHBondContact O-N 3.1Å; G44-H48 PolarHBondContact O-CD2 3.35Å; G44-H48 PolarHBondContact O-N 3.13Å
45W88.7Confident83.8Confident185 Ų18572.2 Ų72.270%0.70135%0.352SS*.Hα-helixtrans-63.1-37.7-169.876.8-81.3000113.9C47 H48 V49W45-C47 VanDerWaalsContact C-N 3.3Å; W45-C47 PolarHBondContact O-N 2.96Å; W45-H48 WeakPolarHBondContact O-CB 3.44Å; W45-H48 PolarHBondContact O-N 3.26Å; W45-H48 VanDerWaalsContact O-N 3.07Å; W45-V49 HydrophobicContact CE3-CG2 3.74Å; W45-V49 HydrophobicContact CZ3-CG2 4.05Å; W45-V49 WeakPolarHBondContact O-CG2 3.39Å; W45-V49 PolarHBondContact O-N 3.41Å
46K89.4Confident83.6Confident142 Ų14272.2 Ų72.262%0.61735%0.352SS*.Hα-helixtrans-58.3-40.7179.9-62.5-175.4-179.1-179.10112.5G44 V49 Y50G44-K46 PolarHBondContact O-N 3.31Å; K46-V49 PolarHBondContact O-N 2.89Å; K46-Y50 PolarHBondContact O-N 2.95Å; K46-Y50 VanDerWaalsContact O-N 3.15Å
47C84.8Confident83.4Confident9 Ų975.6 Ų75.66%0.06137%0.37CS..Hα-helixtrans-65.4-45176.2-55.90000110.4F38 P42 T43 G44 W45 V49 Y50 Y51F38-C47 HydrophobicContact CD2-CB 4.34Å; F38-C47 WeakPolarHBondContact CD2-SG 3.2Å; F38-C47 HydrophobicContact CE2-CB 4.21Å; P42-C47 HydrophobicContact CB-CB 3.73Å; T43-C47 PolarHBondContact O-SG 2.9Å; G44-C47 PolarHBondContact O-N 3.1Å; W45-C47 VanDerWaalsContact C-N 3.3Å; W45-C47 PolarHBondContact O-N 2.96Å; C47-V49 VanDerWaalsContact C-N 3.33Å; C47-V49 PolarHBondContact O-N 3.43Å; C47-Y50 WeakPolarHBondContact O-CB 3.49Å; C47-Y50 PolarHBondContact O-N 3.3Å; C47-Y51 WeakPolarHBondContact O-CD2 3.37Å; C47-Y51 PolarHBondContact O-N 3.49Å
48H81.6Confident83.1Confident111 Ų11174.6 Ų74.651%0.51436%0.364SS..Hα-helixtrans-60.6-41.7178-69.1-62.1000112.4G44 W45 Y50 Y51 F52G44-H48 PolarHBondContact O-CD2 3.35Å; G44-H48 PolarHBondContact O-N 3.13Å; W45-H48 WeakPolarHBondContact O-CB 3.44Å; W45-H48 PolarHBondContact O-N 3.26Å; W45-H48 VanDerWaalsContact O-N 3.07Å; H48-Y50 PolarHBondContact O-N 3.12Å; H48-Y51 PolarHBondContact O-N 2.92Å; H48-F52 WeakPolarHBondContact O-CB 3.37Å; H48-F52 PolarHBondContact O-N 3.47Å
49V89.8Confident82.7Confident71 Ų7174.4 Ų74.443%0.4337%0.366SS..Hα-helixtrans-59.4-47.3175.1173.70000110.6W45 K46 C47 F52 T53W45-V49 HydrophobicContact CE3-CG2 3.74Å; W45-V49 HydrophobicContact CZ3-CG2 4.05Å; W45-V49 WeakPolarHBondContact O-CG2 3.39Å; W45-V49 PolarHBondContact O-N 3.41Å; K46-V49 PolarHBondContact O-N 2.89Å; C47-V49 VanDerWaalsContact C-N 3.33Å; C47-V49 PolarHBondContact O-N 3.43Å; V49-F52 PolarHBondContact O-N 3.11Å; V49-T53 HydrophobicContact CG1-CG2 4.29Å; V49-T53 VanDerWaalsContact O-CG2 3.27Å; V49-T53 WeakPolarHBondContact O-CG2 3.38Å; V49-T53 PolarHBondContact O-N 3.31Å; V49-T53 PolarHBondContact O-OG1 3.47Å
50Y87Confident82.5Confident66 Ų6678.1 Ų78.126%0.25938%0.384SS..Hα-helixtrans-56.6-54.2176.7171.4-102.3000112.2F38 L39 K46 C47 H48 F52 T53 V54F38-Y50 AromaticContact CE1-CD1 3.68Å; F38-Y50 HydrophobicContact CE1-CD1 3.68Å; F38-Y50 HydrophobicContact CE1-CD2 4.35Å; F38-Y50 HydrophobicContact CE1-CE1 4.1Å; F38-Y50 AromaticContact CE1-CG 3.81Å; F38-Y50 HydrophobicContact CE1-CG 3.81Å; F38-Y50 AromaticContact CZ-CD1 4Å; F38-Y50 HydrophobicContact CZ-CD1 4Å; F38-Y50 HydrophobicContact CZ-CD2 4.4Å; F38-Y50 AromaticContact CZ-CG 3.76Å; F38-Y50 HydrophobicContact CZ-CG 3.76Å; L39-Y50 HydrophobicContact CD2-CE1 4.31Å; K46-Y50 PolarHBondContact O-N 2.95Å; K46-Y50 VanDerWaalsContact O-N 3.15Å; C47-Y50 WeakPolarHBondContact O-CB 3.49Å; C47-Y50 PolarHBondContact O-N 3.3Å; H48-Y50 PolarHBondContact O-N 3.12Å; Y50-F52 VanDerWaalsContact C-N 3.3Å; Y50-F52 PolarHBondContact O-N 3.38Å; Y50-T53 PolarHBondContact O-N 3.47Å; Y50-T53 PolarHBondContact O-OG1 2.94Å; Y50-V54 HydrophobicContact CD2-CG2 4.28Å; Y50-V54 HydrophobicContact CE1-CG2 4.23Å; Y50-V54 HydrophobicContact CE2-CG2 3.87Å; Y50-V54 WeakPolarHBondContact O-CG2 3.32Å; Y50-V54 PolarHBondContact O-N 2.97Å
51Y83.9Confident82.3Confident52 Ų5275.5 Ų75.520%0.20437%0.374CS..Hα-helixtrans-64-35.3-179.8-74.4-69000113.2F38 L39 P42 C47 H48 F55F38-Y51 PolarHBondContact O-OH 2.86Å; L39-Y51 WeakPolarHBondContact CA-OH 3.44Å; L39-Y51 PolarHBondContact O-OH 3.35Å; P42-Y51 HydrophobicContact CB-CD2 3.98Å; P42-Y51 HydrophobicContact CB-CE2 3.76Å; P42-Y51 HydrophobicContact CG-CD2 4.48Å; P42-Y51 HydrophobicContact CG-CE2 4.19Å; C47-Y51 WeakPolarHBondContact O-CD2 3.37Å; C47-Y51 PolarHBondContact O-N 3.49Å; H48-Y51 PolarHBondContact O-N 2.92Å; Y51-F55 VanDerWaalsContact O-CB 3.26Å; Y51-F55 WeakPolarHBondContact O-CB 3.38Å; Y51-F55 PolarHBondContact O-N 2.92Å
52F83.7Confident82.3Confident134 Ų13473.3 Ų73.359%0.58837%0.369SS*.Hα-helixtrans-66.2-43.3175.5-173.3-100.1000111.1H48 V49 Y50 F55 I56H48-F52 WeakPolarHBondContact O-CB 3.37Å; H48-F52 PolarHBondContact O-N 3.47Å; V49-F52 PolarHBondContact O-N 3.11Å; Y50-F52 VanDerWaalsContact C-N 3.3Å; Y50-F52 PolarHBondContact O-N 3.38Å; F52-F55 WeakPolarHBondContact O-CB 3.3Å; F52-F55 PolarHBondContact O-N 2.84Å; F52-I56 HydrophobicContact CD1-CG1 4.13Å; F52-I56 HydrophobicContact CE1-CD1 4.3Å; F52-I56 HydrophobicContact CE1-CG1 3.82Å; F52-I56 HydrophobicContact CZ-CD1 4.05Å; F52-I56 HydrophobicContact CZ-CG1 4.03Å; F52-I56 VanDerWaalsContact O-CG1 3.29Å; F52-I56 WeakPolarHBondContact O-CG1 3.31Å; F52-I56 PolarHBondContact O-N 3.05Å
53T86.6Confident82.3Confident65 Ų6575.4 Ų75.440%0.39938%0.377SS..Hα-helixtrans-63.7-44.617656.80000112.3V49 Y50 F55 I56 I57V49-T53 HydrophobicContact CG1-CG2 4.29Å; V49-T53 VanDerWaalsContact O-CG2 3.27Å; V49-T53 WeakPolarHBondContact O-CG2 3.38Å; V49-T53 PolarHBondContact O-N 3.31Å; V49-T53 PolarHBondContact O-OG1 3.47Å; Y50-T53 PolarHBondContact O-N 3.47Å; Y50-T53 PolarHBondContact O-OG1 2.94Å; T53-F55 VanDerWaalsContact C-N 3.31Å; T53-F55 PolarHBondContact O-N 3.07Å; T53-I56 PolarHBondContact O-N 2.89Å; T53-I57 VanDerWaalsContact O-CG1 3.28Å; T53-I57 WeakPolarHBondContact O-CG1 3.27Å; T53-I57 PolarHBondContact O-N 3.08Å
54V82.5Confident82.2Confident14 Ų1473.5 Ų73.59%0.08536%0.362CS..Hα-helixtrans-60-43.5174.9172.70000110.6Y50 I57 I58 Y153Y50-V54 HydrophobicContact CD2-CG2 4.28Å; Y50-V54 HydrophobicContact CE1-CG2 4.23Å; Y50-V54 HydrophobicContact CE2-CG2 3.87Å; Y50-V54 WeakPolarHBondContact O-CG2 3.32Å; Y50-V54 PolarHBondContact O-N 2.97Å; V54-I57 PolarHBondContact O-N 3.33Å; V54-I58 HydrophobicContact CG1-CD1 3.7Å; V54-I58 HydrophobicContact CG1-CG1 4.48Å; V54-I58 WeakPolarHBondContact O-CB 3.44Å; V54-I58 VanDerWaalsContact O-CG1 3.25Å; V54-I58 WeakPolarHBondContact O-CG1 3.5Å; V54-I58 PolarHBondContact O-N 3.38Å; V54-Y153 HydrophobicContact CG1-CE1 4.39Å
55F79.9Confident81.6Confident68 Ų6872.6 Ų72.630%0.29835%0.347SS..Hα-helixtrans-59.7-46.5175.8170.5-107.3000112.4Y51 F52 T53 I58 L59 I154Y51-F55 VanDerWaalsContact O-CB 3.26Å; Y51-F55 WeakPolarHBondContact O-CB 3.38Å; Y51-F55 PolarHBondContact O-N 2.92Å; F52-F55 WeakPolarHBondContact O-CB 3.3Å; F52-F55 PolarHBondContact O-N 2.84Å; T53-F55 VanDerWaalsContact C-N 3.31Å; T53-F55 PolarHBondContact O-N 3.07Å; F55-I58 PolarHBondContact O-N 2.68Å; F55-L59 VanDerWaalsContact O-CB 3.31Å; F55-L59 WeakPolarHBondContact O-CB 3.4Å; F55-L59 PolarHBondContact O-N 3.48Å; F55-I154 HydrophobicContact CD2-CD1 3.54Å; F55-I154 HydrophobicContact CD2-CG1 3.41Å; F55-I154 VanDerWaalsContact CD2-CG1 3.41Å; F55-I154 HydrophobicContact CE2-CD1 3.33Å; F55-I154 HydrophobicContact CE2-CG1 3.51Å; F55-I154 HydrophobicContact CE2-CG2 4.34Å
56I84.2Confident80.8Confident58 Ų5868.1 Ų68.130%0.29734%0.34SS..Hα-helixtrans-65-42.8179-68.2-65.2000111.6F52 T53 I58 L59 I60F52-I56 HydrophobicContact CD1-CG1 4.13Å; F52-I56 HydrophobicContact CE1-CD1 4.3Å; F52-I56 HydrophobicContact CE1-CG1 3.82Å; F52-I56 HydrophobicContact CZ-CD1 4.05Å; F52-I56 HydrophobicContact CZ-CG1 4.03Å; F52-I56 VanDerWaalsContact O-CG1 3.29Å; F52-I56 WeakPolarHBondContact O-CG1 3.31Å; F52-I56 PolarHBondContact O-N 3.05Å; T53-I56 PolarHBondContact O-N 2.89Å; I56-I58 VanDerWaalsContact C-N 3.31Å; I56-I58 PolarHBondContact O-N 3.4Å; I56-L59 HydrophobicContact CD1-CD2 4.45Å; I56-L59 PolarHBondContact O-N 3.39Å; I56-I60 HydrophobicContact CG2-CD1 3.65Å; I56-I60 HydrophobicContact CG2-CG1 4.31Å; I56-I60 WeakPolarHBondContact O-CB 3.49Å; I56-I60 VanDerWaalsContact O-CG1 3.26Å; I56-I60 WeakPolarHBondContact O-CG1 3.41Å; I56-I60 PolarHBondContact O-N 2.93Å
57I82.7Confident80Confident84 Ų8470.4 Ų70.443%0.43135%0.345SS..Hα-helixtrans-57.9-47.6176.3-70.3165.3000110.4T53 V54 I60 A61 I83T53-I57 VanDerWaalsContact O-CG1 3.28Å; T53-I57 WeakPolarHBondContact O-CG1 3.27Å; T53-I57 PolarHBondContact O-N 3.08Å; V54-I57 PolarHBondContact O-N 3.33Å; I57-I60 PolarHBondContact O-N 2.92Å; I57-A61 WeakPolarHBondContact O-CB 3.44Å; I57-A61 PolarHBondContact O-N 2.89Å; I57-I83 HydrophobicContact CG2-CD1 4.48Å; I57-I83 HydrophobicContact CG2-CG1 4.33Å
58I77Confident79.1Confident13 Ų1374.2 Ų74.27%0.06737%0.37CS..Hα-helixtrans-66-40.6179.8-70.7171.8000111.3V54 F55 I56 A61 F62 V150V54-I58 HydrophobicContact CG1-CD1 3.7Å; V54-I58 HydrophobicContact CG1-CG1 4.48Å; V54-I58 WeakPolarHBondContact O-CB 3.44Å; V54-I58 VanDerWaalsContact O-CG1 3.25Å; V54-I58 WeakPolarHBondContact O-CG1 3.5Å; V54-I58 PolarHBondContact O-N 3.38Å; F55-I58 PolarHBondContact O-N 2.68Å; I56-I58 VanDerWaalsContact C-N 3.31Å; I56-I58 PolarHBondContact O-N 3.4Å; I58-A61 PolarHBondContact O-N 3.27Å; I58-F62 PolarHBondContact O-N 2.96Å; I58-V150 HydrophobicContact CG2-CB 3.99Å; I58-V150 HydrophobicContact CG2-CG1 3.1Å; I58-V150 HydrophobicContact CG2-CG2 3.77Å
59L78.5Confident78.2Confident67 Ų6779 Ų7935%0.35139%0.385SS..Hα-helixtrans-62.2-45.9176.4-175.777.4000111.6F55 I56 F62 L63F55-L59 VanDerWaalsContact O-CB 3.31Å; F55-L59 WeakPolarHBondContact O-CB 3.4Å; F55-L59 PolarHBondContact O-N 3.48Å; I56-L59 HydrophobicContact CD1-CD2 4.45Å; I56-L59 PolarHBondContact O-N 3.39Å; L59-F62 WeakPolarHBondContact O-CB 3.46Å; L59-F62 PolarHBondContact O-N 3.5Å; L59-L63 HydrophobicContact CG-CD1 4.4Å; L59-L63 WeakPolarHBondContact O-CG 3.45Å; L59-L63 PolarHBondContact O-N 3.41Å
60I80.2Confident76.8Confident89 Ų8984.9 Ų84.946%0.45641%0.405SS..Hα-helixtrans-62.1-45.1177.8-69.2166.4000110.2I56 I57 F62 L63 L64I56-I60 HydrophobicContact CG2-CD1 3.65Å; I56-I60 HydrophobicContact CG2-CG1 4.31Å; I56-I60 WeakPolarHBondContact O-CB 3.49Å; I56-I60 VanDerWaalsContact O-CG1 3.26Å; I56-I60 WeakPolarHBondContact O-CG1 3.41Å; I56-I60 PolarHBondContact O-N 2.93Å; I57-I60 PolarHBondContact O-N 2.92Å; I60-F62 VanDerWaalsContact C-N 3.3Å; I60-F62 PolarHBondContact O-N 3.5Å; I60-L63 PolarHBondContact O-N 3.05Å; I60-L64 HydrophobicContact CG2-CD1 3.99Å; I60-L64 HydrophobicContact CG2-CG 4.35Å; I60-L64 WeakPolarHBondContact O-CB 3.46Å; I60-L64 VanDerWaalsContact O-CG 3.32Å; I60-L64 WeakPolarHBondContact O-CG 3.26Å; I60-L64 PolarHBondContact O-N 3.4Å
61A75.5Confident75.5Confident13 Ų1386.3 Ų86.311%0.10742%0.415CS..Hα-helixtrans-61-38.9177.100000112.5I57 I58 L64 T65 I79 I83I57-A61 WeakPolarHBondContact O-CB 3.44Å; I57-A61 PolarHBondContact O-N 2.89Å; I58-A61 PolarHBondContact O-N 3.27Å; A61-L64 PolarHBondContact O-N 3.21Å; A61-T65 PolarHBondContact O-N 3.33Å; A61-T65 VanDerWaalsContact O-N 3.08Å; A61-T65 PolarHBondContact O-OG1 2.92Å; A61-I79 HydrophobicContact CB-CG2 4.22Å; A61-I83 HydrophobicContact CB-CD1 3.31Å
62F74.3Confident74.6Confident96 Ų9691.7 Ų91.742%0.42144%0.439SS..Hα-helixtrans-62.9-48.2173.3174.6-101.7000111.9I58 L59 I60 L64 T65 V66I58-F62 PolarHBondContact O-N 2.96Å; L59-F62 WeakPolarHBondContact O-CB 3.46Å; L59-F62 PolarHBondContact O-N 3.5Å; I60-F62 VanDerWaalsContact C-N 3.3Å; I60-F62 PolarHBondContact O-N 3.5Å; F62-L64 VanDerWaalsContact C-N 3.31Å; F62-L64 PolarHBondContact O-N 3.03Å; F62-T65 WeakPolarHBondContact O-CB 3.38Å; F62-T65 PolarHBondContact O-N 3.31Å; F62-V66 HydrophobicContact CD1-CG2 4.48Å; F62-V66 HydrophobicContact CE1-CG2 4Å; F62-V66 HydrophobicContact CE2-CG2 4.06Å; F62-V66 HydrophobicContact CZ-CG2 3.76Å; F62-V66 PolarHBondContact O-N 3.33Å; F62-V66 VanDerWaalsContact O-N 3.07Å
63L77.1Confident74Confident101 Ų10191.9 Ų91.953%0.52944%0.442SS..Hα-helixtrans-60.2-40.6177.4-69.3172.9000112.2L59 I60 T65 V66 W67L59-L63 HydrophobicContact CG-CD1 4.4Å; L59-L63 WeakPolarHBondContact O-CG 3.45Å; L59-L63 PolarHBondContact O-N 3.41Å; I60-L63 PolarHBondContact O-N 3.05Å; L63-T65 VanDerWaalsContact C-N 3.25Å; L63-T65 PolarHBondContact O-N 2.91Å; L63-V66 PolarHBondContact O-N 3.4Å; L63-W67 PolarHBondContact O-N 2.9Å; L63-W67 VanDerWaalsContact O-N 3.16Å
64L74Confident73.4Confident59 Ų5995.3 Ų95.331%0.30945%0.453SS..Hα-helixtrans-63.3-31.3174.8-72172.8000112.7I60 A61 F62 I79I60-L64 HydrophobicContact CG2-CD1 3.99Å; I60-L64 HydrophobicContact CG2-CG 4.35Å; I60-L64 WeakPolarHBondContact O-CB 3.46Å; I60-L64 VanDerWaalsContact O-CG 3.32Å; I60-L64 WeakPolarHBondContact O-CG 3.26Å; I60-L64 PolarHBondContact O-N 3.4Å; A61-L64 PolarHBondContact O-N 3.21Å; F62-L64 VanDerWaalsContact C-N 3.31Å; F62-L64 PolarHBondContact O-N 3.03Å; L64-I79 HydrophobicContact CD1-CD1 4.06Å
65T71.4Confident73.1Confident28 Ų2897.5 Ų97.517%0.17247%0.466CS..Hα-helixtrans-73.6-38.4177-530000111.8A61 F62 L63 W67 L144 R147A61-T65 PolarHBondContact O-N 3.33Å; A61-T65 VanDerWaalsContact O-N 3.08Å; A61-T65 PolarHBondContact O-OG1 2.92Å; F62-T65 WeakPolarHBondContact O-CB 3.38Å; F62-T65 PolarHBondContact O-N 3.31Å; L63-T65 VanDerWaalsContact C-N 3.25Å; L63-T65 PolarHBondContact O-N 2.91Å; T65-W67 VanDerWaalsContact C-N 3.31Å; T65-W67 PolarHBondContact O-N 2.86Å; T65-L144 HydrophobicContact CG2-CD2 4Å; T65-L144 HydrophobicContact CG2-CG 4.29Å; T65-R147 HydrophobicContact CG2-CG 4.4Å
66V72.1Confident72.8Confident91 Ų9195.6 Ų95.655%0.55246%0.459SS*.Hα-helixtrans-71.9-25.4179.4175.90000112.1F62 L63 P68F62-V66 HydrophobicContact CD1-CG2 4.48Å; F62-V66 HydrophobicContact CE1-CG2 4Å; F62-V66 HydrophobicContact CE2-CG2 4.06Å; F62-V66 HydrophobicContact CZ-CG2 3.76Å; F62-V66 PolarHBondContact O-N 3.33Å; F62-V66 VanDerWaalsContact O-N 3.07Å; L63-V66 PolarHBondContact O-N 3.4Å; V66-P68 WeakPolarHBondContact O-CD 3.49Å
67W72.3Confident72.4Confident190 Ų19095.7 Ų95.772%0.7246%0.457SS*.  trans-109.468.7-179-154.9-72.8000112.7L63 T65 Y69L63-W67 PolarHBondContact O-N 2.9Å; L63-W67 VanDerWaalsContact O-N 3.16Å; T65-W67 VanDerWaalsContact C-N 3.31Å; T65-W67 PolarHBondContact O-N 2.86Å; W67-Y69 PolarHBondContact O-N 3.4Å; W67-Y69 VanDerWaalsContact O-N 3.09Å
68P67Low72.3Confident89 Ų8999.2 Ų99.258%0.57847%0.466SS*.THydrogen-bonded Turntrans-72.4-3.8-174.130.3-36.2000114V66 K70V66-P68 WeakPolarHBondContact O-CD 3.49Å; P68-K70 PolarHBondContact O-N 3.24Å
69Y62.9Low72.4Confident211 Ų211101 Ų10183%0.82748%0.475SS*.THydrogen-bonded Turntrans-70-6.2-164.6-128.6-87.5000116.3W67W67-Y69 PolarHBondContact O-N 3.4Å; W67-Y69 VanDerWaalsContact O-N 3.09Å
70K59.6Low72.4Confident195 Ų19598.7 Ų98.785%0.84846%0.463SS*.SBendtrans-134.6-13.1-176.7-96.3-173175.6-178.70116P68P68-K70 PolarHBondContact O-N 3.24Å
71M60.6Low72.6Confident96 Ų9697.6 Ų97.647%0.47346%0.458SS..SBendtrans-109.5131-169.5-71.5-68.9-91.500111.3V75M71-V75 HydrophobicContact CE-CB 4.34Å; M71-V75 HydrophobicContact CE-CG1 3.66Å
72K65.4Low73.1Confident164 Ų16499.2 Ų99.271%0.71347%0.471SS*.  trans-62.6135.3176.6-66.3-176.6178.4-178.20109.9H74 V75K72-H74 PolarHBondContact O-N 3.29Å; K72-V75 HydrophobicContact CB-CG2 4.49Å; K72-V75 PolarHBondContact O-N 3.47Å
73E69.2Low73.5Confident139 Ų13996.1 Ų96.165%0.6546%0.459SS*.Hα-helixtrans-47.3-36.8179.2-63.8174.817100112.9V75 L76 F77E73-V75 PolarHBondContact O-N 2.92Å; E73-L76 PolarHBondContact O-N 2.89Å; E73-F77 PolarHBondContact O-N 3.4Å
74H74Confident73.8Confident137 Ų13791.9 Ų91.963%0.63444%0.437SS*.Hα-helixtrans-59.9-40.7176.5-62.4-61.4000113.9K72 L76 F77 Y78K72-H74 PolarHBondContact O-N 3.29Å; H74-L76 VanDerWaalsContact C-N 3.3Å; H74-L76 PolarHBondContact O-N 3.45Å; H74-F77 PolarHBondContact O-N 3.37Å; H74-Y78 HydrophobicContact CB-CE2 4.48Å; H74-Y78 WeakPolarHBondContact O-CD2 3.45Å; H74-Y78 PolarHBondContact O-N 2.9Å; H74-Y78 VanDerWaalsContact O-N 3.09Å
75V76.9Confident74.6Confident59 Ų5993.5 Ų93.536%0.35845%0.445SS..Hα-helixtrans-66.3-39.6-178.8-179.20000110.2M71 K72 E73 Y78 I79M71-V75 HydrophobicContact CE-CB 4.34Å; M71-V75 HydrophobicContact CE-CG1 3.66Å; K72-V75 HydrophobicContact CB-CG2 4.49Å; K72-V75 PolarHBondContact O-N 3.47Å; E73-V75 PolarHBondContact O-N 2.92Å; V75-Y78 PolarHBondContact O-N 2.95Å; V75-I79 HydrophobicContact CG1-CD1 3.95Å; V75-I79 VanDerWaalsContact O-CG1 3.31Å; V75-I79 WeakPolarHBondContact O-CG1 3.38Å; V75-I79 PolarHBondContact O-N 3.23Å; V75-I79 VanDerWaalsContact O-N 3.07Å
76L73.6Confident75.4Confident29 Ų2996.2 Ų96.215%0.15246%0.458CS..Hα-helixtrans-65.9-42.5178.3-166.953.4000111.2E73 H74 Y78 I79 E80 L144E73-L76 PolarHBondContact O-N 2.89Å; H74-L76 VanDerWaalsContact C-N 3.3Å; H74-L76 PolarHBondContact O-N 3.45Å; L76-Y78 PolarHBondContact O-N 2.96Å; L76-I79 PolarHBondContact O-N 3.08Å; L76-E80 VanDerWaalsContact O-CG 3.29Å; L76-E80 WeakPolarHBondContact O-CG 3.4Å; L76-E80 PolarHBondContact O-N 3.47Å; L76-L144 HydrophobicContact CD2-CD2 3.15Å; L76-L144 HydrophobicContact CG-CD2 3.61Å
77F75.5Confident76Confident59 Ų5993.6 Ų93.626%0.25944%0.441SS..Hα-helixtrans-57.3-45.4173.6-179.7-96.2000112.8E73 H74 I79 E80 L81 L133 C136E73-F77 PolarHBondContact O-N 3.4Å; H74-F77 PolarHBondContact O-N 3.37Å; F77-I79 PolarHBondContact O-N 2.91Å; F77-E80 PolarHBondContact O-N 3.02Å; F77-L81 WeakPolarHBondContact O-CB 3.41Å; F77-L81 PolarHBondContact O-N 3.26Å; F77-L133 HydrophobicContact CD2-CD2 3.9Å; F77-L133 HydrophobicContact CE2-CD2 3.62Å; F77-L133 HydrophobicContact CZ-CD2 4.33Å; F77-C136 HydrophobicContact CE2-CB 4.31Å
78Y82.2Confident76.9Confident158 Ų15886.9 Ų86.962%0.6242%0.42SS*.Hα-helixtrans-65.1-38.4177.4-73.5-64.7000112.7H74 V75 L76 L81 A82H74-Y78 HydrophobicContact CB-CE2 4.48Å; H74-Y78 WeakPolarHBondContact O-CD2 3.45Å; H74-Y78 PolarHBondContact O-N 2.9Å; H74-Y78 VanDerWaalsContact O-N 3.09Å; V75-Y78 PolarHBondContact O-N 2.95Å; L76-Y78 PolarHBondContact O-N 2.96Å; Y78-L81 PolarHBondContact O-N 3.04Å; Y78-A82 WeakPolarHBondContact O-CB 3.28Å; Y78-A82 PolarHBondContact O-N 3.42Å
79I79.2Confident78.1Confident50 Ų5085.8 Ų85.826%0.25641%0.414SS..Hα-helixtrans-64.8-46176.2-68.9168.9000110.7A61 L64 V75 L76 F77 L81 A82 I83A61-I79 HydrophobicContact CB-CG2 4.22Å; L64-I79 HydrophobicContact CD1-CD1 4.06Å; V75-I79 HydrophobicContact CG1-CD1 3.95Å; V75-I79 VanDerWaalsContact O-CG1 3.31Å; V75-I79 WeakPolarHBondContact O-CG1 3.38Å; V75-I79 PolarHBondContact O-N 3.23Å; V75-I79 VanDerWaalsContact O-N 3.07Å; L76-I79 PolarHBondContact O-N 3.08Å; F77-I79 PolarHBondContact O-N 2.91Å; I79-L81 VanDerWaalsContact C-N 3.34Å; I79-L81 PolarHBondContact O-N 2.92Å; I79-A82 PolarHBondContact O-N 3.49Å; I79-I83 HydrophobicContact CG2-CD1 3.79Å; I79-I83 WeakPolarHBondContact O-CG1 3.2Å; I79-I83 PolarHBondContact O-N 3.48Å
80E78.2Confident79.4Confident20 Ų2076.1 Ų76.19%0.09338%0.376CS..Hα-helixtrans-58.3-44.9175.2-71.2168.9-15900112.9L76 F77 I83 T84 L133 L144 R147L76-E80 VanDerWaalsContact O-CG 3.29Å; L76-E80 WeakPolarHBondContact O-CG 3.4Å; L76-E80 PolarHBondContact O-N 3.47Å; F77-E80 PolarHBondContact O-N 3.02Å; E80-I83 PolarHBondContact O-N 2.58Å; E80-T84 VanDerWaalsContact O-CB 3.3Å; E80-T84 WeakPolarHBondContact O-CB 3.44Å; E80-T84 PolarHBondContact O-N 3.26Å; E80-T84 PolarHBondContact O-OG1 3.21Å; E80-L133 HydrophobicContact CB-CD2 4.08Å; E80-L144 WeakPolarHBondContact OE1-CD1 3.45Å; E80-L144 WeakPolarHBondContact OE1-CD2 3.35Å; E80-R147 IonicContact OE1-CZ 3.98Å; E80-R147 IonicContact OE1-NH1 2.65Å; E80-R147 PolarHBondContact OE1-NH1 2.91Å; E80-R147 IonicContact OE1-NH2 2.84Å; E80-R147 PolarHBondContact OE1-NH2 3.26Å; E80-R147 IonicContact OE2-CZ 2.71Å; E80-R147 IonicContact OE2-NH1 3.8Å; E80-R147 PolarHBondContact OE2-NH1 3.39Å; E80-R147 IonicContact OE2-NH2 3.59Å; E80-R147 PolarHBondContact OE2-NH2 2.93Å
81L83.6Confident80.8Confident65 Ų6567.8 Ų67.834%0.3434%0.34SS..Hα-helixtrans-61.3-47.6179.2-179.764.3000110.1F77 Y78 I79 I83 T84 I85 L133F77-L81 WeakPolarHBondContact O-CB 3.41Å; F77-L81 PolarHBondContact O-N 3.26Å; Y78-L81 PolarHBondContact O-N 3.04Å; I79-L81 VanDerWaalsContact C-N 3.34Å; I79-L81 PolarHBondContact O-N 2.92Å; L81-I83 PolarHBondContact O-N 2.9Å; L81-T84 PolarHBondContact O-N 2.87Å; L81-I85 HydrophobicContact CD1-CD1 4.15Å; L81-I85 HydrophobicContact CD1-CG1 4.49Å; L81-I85 HydrophobicContact CG-CD1 3.97Å; L81-I85 VanDerWaalsContact O-CG1 3.25Å; L81-I85 WeakPolarHBondContact O-CG1 3.15Å; L81-I85 PolarHBondContact O-N 3.19Å; L81-L133 HydrophobicContact CD1-CD1 4.24Å
82A85.9Confident82.3Confident48 Ų4866.2 Ų66.240%0.39734%0.338SS..Hα-helixtrans-59.7-46.9177.600000111.9Y78 I79 T84 I85 I86Y78-A82 WeakPolarHBondContact O-CB 3.28Å; Y78-A82 PolarHBondContact O-N 3.42Å; I79-A82 PolarHBondContact O-N 3.49Å; A82-T84 PolarHBondContact O-N 3.36Å; A82-I85 PolarHBondContact O-N 2.86Å; A82-I86 VanDerWaalsContact O-CG1 3.29Å; A82-I86 WeakPolarHBondContact O-CG1 3.45Å; A82-I86 PolarHBondContact O-N 2.93Å
83I82.5Confident83.5Confident30 Ų3062.3 Ų62.315%0.15433%0.325CS..Hα-helixtrans-63.1-44.1177.9-68.2168.3000110.8I57 A61 I79 E80 L81 I85 I86 L87I57-I83 HydrophobicContact CG2-CD1 4.48Å; I57-I83 HydrophobicContact CG2-CG1 4.33Å; A61-I83 HydrophobicContact CB-CD1 3.31Å; I79-I83 HydrophobicContact CG2-CD1 3.79Å; I79-I83 WeakPolarHBondContact O-CG1 3.2Å; I79-I83 PolarHBondContact O-N 3.48Å; E80-I83 PolarHBondContact O-N 2.58Å; L81-I83 PolarHBondContact O-N 2.9Å; I83-I85 VanDerWaalsContact C-N 3.34Å; I83-I85 PolarHBondContact O-N 3.27Å; I83-I86 PolarHBondContact O-N 3.27Å; I83-L87 HydrophobicContact CG2-CD1 3.89Å; I83-L87 HydrophobicContact CG2-CG 4.31Å; I83-L87 WeakPolarHBondContact O-CG 3.49Å; I83-L87 PolarHBondContact O-N 3.39Å
84T83.9Confident84.6Confident13 Ų1356.3 Ų56.38%0.0830%0.296CS..Hα-helixtrans-60.9-44.5178.6-58.10000110.7E80 L81 A82 I86 L87 V88 I130 L133E80-T84 VanDerWaalsContact O-CB 3.3Å; E80-T84 WeakPolarHBondContact O-CB 3.44Å; E80-T84 PolarHBondContact O-N 3.26Å; E80-T84 PolarHBondContact O-OG1 3.21Å; L81-T84 PolarHBondContact O-N 2.87Å; A82-T84 PolarHBondContact O-N 3.36Å; T84-I86 PolarHBondContact O-N 2.8Å; T84-L87 PolarHBondContact O-N 2.84Å; T84-V88 HydrophobicContact CG2-CG2 4.37Å; T84-V88 VanDerWaalsContact O-CG2 3.25Å; T84-V88 WeakPolarHBondContact O-CG2 3.39Å; T84-V88 PolarHBondContact O-N 3.02Å; T84-I130 HydrophobicContact CG2-CG1 3.94Å; T84-L133 HydrophobicContact CG2-CD1 4.04Å
85I90Very high85.4Confident92 Ų9251.7 Ų51.747%0.47228%0.276SS..Hα-helixtrans-60.1-45.7176-69.2165.5000111.1L81 A82 I83 L87 V88 C89L81-I85 HydrophobicContact CD1-CD1 4.15Å; L81-I85 HydrophobicContact CD1-CG1 4.49Å; L81-I85 HydrophobicContact CG-CD1 3.97Å; L81-I85 VanDerWaalsContact O-CG1 3.25Å; L81-I85 WeakPolarHBondContact O-CG1 3.15Å; L81-I85 PolarHBondContact O-N 3.19Å; A82-I85 PolarHBondContact O-N 2.86Å; I83-I85 VanDerWaalsContact C-N 3.34Å; I83-I85 PolarHBondContact O-N 3.27Å; I85-L87 VanDerWaalsContact C-N 3.34Å; I85-L87 PolarHBondContact O-N 2.92Å; I85-V88 PolarHBondContact O-N 3.35Å; I85-C89 WeakPolarHBondContact O-CB 3.17Å; I85-C89 PolarHBondContact O-N 3.4Å; I85-C89 PolarHBondContact O-SG 3.48Å; I85-C89 VanDerWaalsContact O-SG 3.34Å
86I87.9Confident86.1Confident86 Ų8654.1 Ų54.144%0.44128%0.279SS..Hα-helixtrans-59.4-45.7177.7-68.8165.7000110.6A82 I83 T84 C89 E90A82-I86 VanDerWaalsContact O-CG1 3.29Å; A82-I86 WeakPolarHBondContact O-CG1 3.45Å; A82-I86 PolarHBondContact O-N 2.93Å; I83-I86 PolarHBondContact O-N 3.27Å; T84-I86 PolarHBondContact O-N 2.8Å; I86-C89 PolarHBondContact O-N 2.88Å; I86-E90 WeakPolarHBondContact O-CB 3.15Å; I86-E90 PolarHBondContact O-N 3.36Å
87L86Confident86.9Confident36 Ų3652.7 Ų52.719%0.18827%0.271CS..Hα-helixtrans-67.5-38.4179.3-68.5174.9000112.8I83 T84 I85 C89 E90 Y91 L126I83-L87 HydrophobicContact CG2-CD1 3.89Å; I83-L87 HydrophobicContact CG2-CG 4.31Å; I83-L87 WeakPolarHBondContact O-CG 3.49Å; I83-L87 PolarHBondContact O-N 3.39Å; T84-L87 PolarHBondContact O-N 2.84Å; I85-L87 VanDerWaalsContact C-N 3.34Å; I85-L87 PolarHBondContact O-N 2.92Å; L87-C89 VanDerWaalsContact C-N 3.34Å; L87-E90 PolarHBondContact O-N 3.19Å; L87-Y91 VanDerWaalsContact O-CB 3.3Å; L87-Y91 WeakPolarHBondContact O-CB 2.94Å; L87-Y91 PolarHBondContact O-N 3.22Å; L87-L126 HydrophobicContact CB-CD1 4.17Å
88V90.7Very high87.6Confident48 Ų4849.9 Ų49.929%0.29126%0.259SS..Hα-helixtrans-60-46.7173.3171.40000110.1T84 I85 Y91 S92 L126 I130T84-V88 HydrophobicContact CG2-CG2 4.37Å; T84-V88 VanDerWaalsContact O-CG2 3.25Å; T84-V88 WeakPolarHBondContact O-CG2 3.39Å; T84-V88 PolarHBondContact O-N 3.02Å; I85-V88 PolarHBondContact O-N 3.35Å; V88-Y91 PolarHBondContact O-N 2.96Å; V88-S92 VanDerWaalsContact O-CB 3.28Å; V88-S92 WeakPolarHBondContact O-CB 3.46Å; V88-S92 PolarHBondContact O-N 3.09Å; V88-S92 PolarHBondContact O-OG 3.26Å; V88-L126 HydrophobicContact CB-CD1 4.3Å; V88-L126 HydrophobicContact CG2-CD1 3.58Å; V88-L126 HydrophobicContact CG2-CD2 4.13Å; V88-L126 HydrophobicContact CG2-CG 4.05Å; V88-I130 HydrophobicContact CG2-CD1 4.24Å
89C91.9Very high87.9Confident67 Ų6743 Ų4345%0.45324%0.235SC..Hα-helixtrans-62.1-46.5178.1-74.50000111.3I85 I86 L87 S92 L93I85-C89 WeakPolarHBondContact O-CB 3.17Å; I85-C89 PolarHBondContact O-N 3.4Å; I85-C89 PolarHBondContact O-SG 3.48Å; I85-C89 VanDerWaalsContact O-SG 3.34Å; I86-C89 PolarHBondContact O-N 2.88Å; L87-C89 VanDerWaalsContact C-N 3.34Å; C89-S92 PolarHBondContact O-N 2.96Å; C89-L93 WeakPolarHBondContact O-CB 3.36Å; C89-L93 VanDerWaalsContact O-CG 3.26Å; C89-L93 WeakPolarHBondContact O-CG 3.33Å; C89-L93 PolarHBondContact O-N 3.32Å
90E89.7Confident88.2Confident7 Ų742.6 Ų42.63%0.03324%0.237CC..Hα-helixtrans-60.9-47.2177.7-171-178.8175.800111.8L39 I86 L87 S92 L93 R94 Y153L39-E90 HydrophobicContact CD2-CG 4.16Å; I86-E90 WeakPolarHBondContact O-CB 3.15Å; I86-E90 PolarHBondContact O-N 3.36Å; L87-E90 PolarHBondContact O-N 3.19Å; E90-S92 PolarHBondContact O-N 2.9Å; E90-L93 PolarHBondContact O-N 2.93Å; E90-R94 WeakPolarHBondContact O-CB 3.29Å; E90-R94 PolarHBondContact O-N 3.44Å; E90-R94 IonicContact OE1-NH2 2.89Å; E90-R94 PolarHBondContact OE1-NH2 3.2Å; E90-Y153 PolarHBondContact OE1-OH 2.95Å; E90-Y153 PolarHBondContact OE2-OH 3.44Å
91Y89.4Confident88.5Confident20 Ų2047.5 Ų47.58%0.07825%0.254CS..Hα-helixtrans-63.4-41.7179.1-175.4-108.1000112.1L87 V88 R94 I95 V114 C119 E122 L123 L126L87-Y91 VanDerWaalsContact O-CB 3.3Å; L87-Y91 WeakPolarHBondContact O-CB 2.94Å; L87-Y91 PolarHBondContact O-N 3.22Å; V88-Y91 PolarHBondContact O-N 2.96Å; Y91-R94 WeakPolarHBondContact O-CB 3.29Å; Y91-R94 PolarHBondContact O-N 3.41Å; Y91-I95 HydrophobicContact CD1-CD1 3.88Å; Y91-I95 HydrophobicContact CE1-CD1 3.36Å; Y91-I95 HydrophobicContact CE1-CG1 4.38Å; Y91-I95 HydrophobicContact CE2-CD1 4.4Å; Y91-I95 WeakPolarHBondContact O-CG1 3.14Å; Y91-I95 PolarHBondContact O-N 3.43Å; Y91-V114 WeakPolarHBondContact OH-CG1 3.34Å; Y91-C119 HydrophobicContact CE2-CB 4.41Å; Y91-E122 HydrophobicContact CD2-CB 4.23Å; Y91-E122 HydrophobicContact CE2-CB 4.29Å; Y91-L123 HydrophobicContact CE1-CD1 4.01Å; Y91-L126 HydrophobicContact CD1-CD2 4.28Å
92S92.3Very high88.6Confident63 Ų6352.8 Ų52.844%0.44128%0.275SS..Hα-helixtrans-64-44.1176-59.40000111.7V88 C89 E90 R94 I95 W96V88-S92 VanDerWaalsContact O-CB 3.28Å; V88-S92 WeakPolarHBondContact O-CB 3.46Å; V88-S92 PolarHBondContact O-N 3.09Å; V88-S92 PolarHBondContact O-OG 3.26Å; C89-S92 PolarHBondContact O-N 2.96Å; E90-S92 PolarHBondContact O-N 2.9Å; S92-R94 VanDerWaalsContact C-N 3.31Å; S92-R94 PolarHBondContact O-N 2.92Å; S92-I95 PolarHBondContact O-N 3.19Å; S92-W96 WeakPolarHBondContact O-CB 3.32Å; S92-W96 PolarHBondContact O-N 3.04Å
93L91.6Very high88.5Confident82 Ų8256.1 Ų56.143%0.42928%0.281SS..Hα-helixtrans-62.9-36.5174.6-74.7172.3000111.9L39 C89 E90 W96 S97L39-L93 HydrophobicContact CD1-CB 4.05Å; C89-L93 WeakPolarHBondContact O-CB 3.36Å; C89-L93 VanDerWaalsContact O-CG 3.26Å; C89-L93 WeakPolarHBondContact O-CG 3.33Å; C89-L93 PolarHBondContact O-N 3.32Å; E90-L93 PolarHBondContact O-N 2.93Å; L93-W96 PolarHBondContact O-N 2.97Å; L93-S97 WeakPolarHBondContact O-CB 3.25Å; L93-S97 PolarHBondContact O-N 3.38Å; L93-S97 PolarHBondContact O-OG 3.37Å
94R90.9Very high88.7Confident13 Ų1355.8 Ų55.85%0.04928%0.277CS..Hα-helixtrans-65.1-44.9175.7-167.9176.8-67.2136.81111.9L39 E90 Y91 S92 S97 A98 F113 E122 Y153L39-R94 HydrophobicContact CD1-CB 4.43Å; E90-R94 WeakPolarHBondContact O-CB 3.29Å; E90-R94 PolarHBondContact O-N 3.44Å; E90-R94 IonicContact OE1-NH2 2.89Å; E90-R94 PolarHBondContact OE1-NH2 3.2Å; Y91-R94 WeakPolarHBondContact O-CB 3.29Å; Y91-R94 PolarHBondContact O-N 3.41Å; S92-R94 VanDerWaalsContact C-N 3.31Å; S92-R94 PolarHBondContact O-N 2.92Å; R94-S97 PolarHBondContact O-OG 3.29Å; R94-A98 WeakPolarHBondContact O-CB 3.36Å; R94-A98 PolarHBondContact O-N 3.11Å; R94-F113 HydrophobicContact CG-CE1 4.05Å; R94-F113 HydrophobicContact CG-CZ 4Å; R94-E122 IonicContact CZ-OE1 3.44Å; R94-E122 IonicContact CZ-OE2 3.48Å; R94-E122 IonicContact NH1-OE1 2.69Å; R94-E122 PolarHBondContact NH1-OE1 2.92Å; R94-E122 IonicContact NH1-OE2 2.74Å; R94-E122 PolarHBondContact NH1-OE2 3.41Å; R94-E122 IonicContact NH2-OE1 3.51Å; R94-Y153 PolarHBondContact NH2-OH 2.92Å
95I91Very high88.6Confident41 Ų4157.4 Ų57.421%0.2129%0.292CS..Hα-helixtrans-65.4-43.2175.7-67171.6000111.3Y91 S92 V114Y91-I95 HydrophobicContact CD1-CD1 3.88Å; Y91-I95 HydrophobicContact CE1-CD1 3.36Å; Y91-I95 HydrophobicContact CE1-CG1 4.38Å; Y91-I95 HydrophobicContact CE2-CD1 4.4Å; Y91-I95 WeakPolarHBondContact O-CG1 3.14Å; Y91-I95 PolarHBondContact O-N 3.43Å; S92-I95 PolarHBondContact O-N 3.19Å; I95-V114 HydrophobicContact CD1-CG2 3.9Å; I95-V114 HydrophobicContact CG1-CG2 4.18Å
96W92.1Very high88.5Confident109 Ų10955.4 Ų55.441%0.41329%0.287SS..Hα-helixtrans-64.3-47.6179.4175.883.8000111.7Q32 I35 S92 L93 A98 G99Q32-W96 HydrophobicContact CG-CD2 4.49Å; Q32-W96 HydrophobicContact CG-CE3 4.33Å; Q32-W96 HydrophobicContact CG-CH2 3.54Å; Q32-W96 HydrophobicContact CG-CZ2 3.71Å; Q32-W96 HydrophobicContact CG-CZ3 3.87Å; I35-W96 HydrophobicContact CD1-CZ3 3.81Å; S92-W96 WeakPolarHBondContact O-CB 3.32Å; S92-W96 PolarHBondContact O-N 3.04Å; L93-W96 PolarHBondContact O-N 2.97Å; W96-A98 VanDerWaalsContact C-N 3.32Å; W96-A98 PolarHBondContact O-N 3.33Å; W96-G99 PolarHBondContact O-N 2.96Å
97S90.6Very high88.2Confident0 Ų058.5 Ų58.50%030%0.303CS..Hα-helixtrans-68.5-27.4-179.264.90000113.3L93 R94 G99 C100L93-S97 WeakPolarHBondContact O-CB 3.25Å; L93-S97 PolarHBondContact O-N 3.38Å; L93-S97 PolarHBondContact O-OG 3.37Å; R94-S97 PolarHBondContact O-OG 3.29Å; S97-G99 PolarHBondContact O-N 3.4Å; S97-C100 WeakPolarHBondContact O-CB 3.4Å; S97-C100 PolarHBondContact O-N 3.41Å; S97-C100 PolarHBondContact O-SG 3.44Å; S97-C100 VanDerWaalsContact O-SG 3.4Å
98A89Confident88.3Confident0 Ų062.5 Ų62.50%033%0.329CS..G310 helixtrans-57.3-21.4174.200000113.9F36 R94 W96 C100 R101 F113F36-A98 VanDerWaalsContact CD2-CA 3.49Å; F36-A98 HydrophobicContact CD2-CB 4.16Å; F36-A98 HydrophobicContact CE2-CB 3.87Å; R94-A98 WeakPolarHBondContact O-CB 3.36Å; R94-A98 PolarHBondContact O-N 3.11Å; W96-A98 VanDerWaalsContact C-N 3.32Å; W96-A98 PolarHBondContact O-N 3.33Å; A98-C100 PolarHBondContact O-N 3.12Å; A98-C100 VanDerWaalsContact O-N 3.1Å; A98-R101 PolarHBondContact O-N 3.39Å; A98-F113 HydrophobicContact CB-CD1 4.06Å; A98-F113 HydrophobicContact CB-CD2 3.95Å; A98-F113 HydrophobicContact CB-CE1 4.15Å; A98-F113 HydrophobicContact CB-CE2 4.03Å; A98-F113 HydrophobicContact CB-CG 3.97Å; A98-F113 HydrophobicContact CB-CZ 4.14Å
99G89.3Confident88.1Confident12 Ų1265 Ų6512%0.12433%0.333CS..G310 helixtrans-58.2-16.9173.100000114.7W96 S97 R101W96-G99 PolarHBondContact O-N 2.96Å; S97-G99 PolarHBondContact O-N 3.4Å; G99-R101 PolarHBondContact O-N 3.44Å
100C86.3Confident88Confident42 Ų4264.4 Ų64.428%0.28432%0.322SS..G310 helixtrans-68.2-19.1177.5800000113.5Q32 S97 A98Q32-C100 HydrophobicContact CB-CB 4.08Å; S97-C100 WeakPolarHBondContact O-CB 3.4Å; S97-C100 PolarHBondContact O-N 3.41Å; S97-C100 PolarHBondContact O-SG 3.44Å; S97-C100 VanDerWaalsContact O-SG 3.4Å; A98-C100 PolarHBondContact O-N 3.12Å; A98-C100 VanDerWaalsContact O-N 3.1Å
101R84.6Confident88Confident124 Ų12468.3 Ų68.347%0.46834%0.342SS..SBendtrans-94127.9177.7-59.8-72.6-89.9-179.1-3.5108.6F36 A98 G99 K103 Y104 A105F36-R101 HydrophobicContact CD1-CG 4.46Å; F36-R101 HydrophobicContact CE1-CG 3.95Å; F36-R101 HydrophobicContact CZ-CG 4.3Å; A98-R101 PolarHBondContact O-N 3.39Å; G99-R101 PolarHBondContact O-N 3.44Å; R101-K103 PolarHBondContact O-N 2.96Å; R101-Y104 HydrophobicContact CB-CD2 3.97Å; R101-Y104 HydrophobicContact CB-CE2 4.5Å; R101-Y104 CarbonylContact O-C 3.56Å; R101-Y104 PolarHBondContact O-N 3.3Å; R101-A105 PolarHBondContact O-N 3.42Å
102F84.6Confident88Confident175 Ų17574.1 Ų74.177%0.76836%0.364SS*.G310 helixtrans-50.7-32.1177.7179.9-101.1000113.9Y104F102-Y104 PolarHBondContact O-N 2.96Å
103K83.7Confident87.8Confident119 Ų11971.2 Ų71.252%0.51734%0.343SS..G310 helixtrans-59.8-26.1176-169.1175.2176.2-176.60113.5R101 R109R101-K103 PolarHBondContact O-N 2.96Å; K103-R109 WeakPolarHBondContact O-CB 3.29Å
104Y86.5Confident87.6Confident22 Ų2268.3 Ų68.39%0.08633%0.329CS..G310 helixtrans-126.220.6-174-45.5-57.1000113.1R101 F102 S106 R109 R110 F113R101-Y104 HydrophobicContact CB-CD2 3.97Å; R101-Y104 HydrophobicContact CB-CE2 4.5Å; R101-Y104 CarbonylContact O-C 3.56Å; R101-Y104 PolarHBondContact O-N 3.3Å; F102-Y104 PolarHBondContact O-N 2.96Å; Y104-S106 PolarHBondContact O-N 3.3Å; Y104-R109 WeakPolarHBondContact CD1-O 3.46Å; Y104-R110 WeakPolarHBondContact O-CG 3.47Å; Y104-F113 HydrophobicContact CD1-CB 3.96Å; Y104-F113 HydrophobicContact CD2-CB 4.46Å; Y104-F113 HydrophobicContact CD2-CD2 4.04Å; Y104-F113 HydrophobicContact CE1-CB 4.16Å; Y104-F113 AromaticContact CE2-CD2 3.85Å; Y104-F113 HydrophobicContact CE2-CD2 3.85Å; Y104-F113 HydrophobicContact CG-CB 4.13Å
105A83.4Confident87.6Confident48 Ų4876 Ų7640%0.39736%0.358SS..  trans-61.1-45.6-174.100000113.4R101R101-A105 PolarHBondContact O-N 3.42Å
106S86.1Confident87.2Confident50 Ų5076.9 Ų76.935%0.3536%0.36SS..SBendtrans-87.3154.4-179.865.40000113.1Y104 T108 R109 R110Y104-S106 PolarHBondContact O-N 3.3Å; S106-T108 VanDerWaalsContact C-N 3.34Å; S106-T108 PolarHBondContact O-N 3.46Å; S106-R109 CarbonylContact O-C 3.48Å; S106-R109 WeakPolarHBondContact O-CA 3.47Å; S106-R109 WeakPolarHBondContact O-CB 3.42Å; S106-R109 PolarHBondContact O-N 2.92Å; S106-R109 WeakPolarHBondContact OG-CD 3.26Å; S106-R109 WeakPolarHBondContact OG-CG 3.26Å; S106-R110 WeakPolarHBondContact O-CG 3.44Å; S106-R110 PolarHBondContact O-N 3.31Å
107L83.4Confident86.6Confident150 Ų15076.1 Ų76.179%0.78537%0.369SS*.Hα-helixtrans-53-46.2179.1-79.5125.5000112.9R109 R110 L111L107-R109 PolarHBondContact O-N 3.26Å; L107-R110 WeakPolarHBondContact O-CB 3.49Å; L107-R110 PolarHBondContact O-N 3.48Å; L107-L111 PolarHBondContact O-N 2.96Å
108T86.7Confident85.9Confident120 Ų12079.8 Ų79.874%0.73639%0.388SS*.Hα-helixtrans-60.7-33.6176.1-35.60000112.2S106S106-T108 VanDerWaalsContact C-N 3.34Å; S106-T108 PolarHBondContact O-N 3.46Å
109R87.5Confident85.7Confident101 Ų10180 Ų8038%0.38139%0.389SS..Hα-helixtrans-79.3-25.9176-67.5177.6-171.4-177.25.4112.2K103 Y104 S106 L107 L111 R112K103-R109 WeakPolarHBondContact O-CB 3.29Å; Y104-R109 WeakPolarHBondContact CD1-O 3.46Å; S106-R109 CarbonylContact O-C 3.48Å; S106-R109 WeakPolarHBondContact O-CA 3.47Å; S106-R109 WeakPolarHBondContact O-CB 3.42Å; S106-R109 PolarHBondContact O-N 2.92Å; S106-R109 WeakPolarHBondContact OG-CD 3.26Å; S106-R109 WeakPolarHBondContact OG-CG 3.26Å; L107-R109 PolarHBondContact O-N 3.26Å; R109-L111 VanDerWaalsContact C-N 3.28Å; R109-L111 PolarHBondContact O-N 2.9Å; R109-R112 WeakPolarHBondContact O-CB 3.43Å; R109-R112 PolarHBondContact O-N 3.43Å; R109-R112 VanDerWaalsContact O-N 3.1Å
110R90Very high85.5Confident55 Ų5583.2 Ų83.221%0.20840%0.403CS..Hα-helixtrans-64.9-31.3170.8-65.8-177.8-171.7-167.50.5111.9Y104 S106 L107 R112 F113 V114Y104-R110 WeakPolarHBondContact O-CG 3.47Å; S106-R110 WeakPolarHBondContact O-CG 3.44Å; S106-R110 PolarHBondContact O-N 3.31Å; L107-R110 WeakPolarHBondContact O-CB 3.49Å; L107-R110 PolarHBondContact O-N 3.48Å; R110-R112 PolarHBondContact O-N 2.69Å; R110-F113 WeakPolarHBondContact O-CA 3.48Å; R110-F113 VanDerWaalsContact O-CB 3.23Å; R110-F113 WeakPolarHBondContact O-CB 3.2Å; R110-F113 PolarHBondContact O-N 3.13Å; R110-V114 PolarHBondContact O-N 3.16Å; R110-V114 VanDerWaalsContact O-N 3.13Å
111L89.1Confident85.2Confident89 Ų8985 Ų8547%0.46641%0.409SS..Hα-helixtrans-59.8-31171.4-172.362.8000112.3L107 R109 F113 V114 R115L107-L111 PolarHBondContact O-N 2.96Å; R109-L111 VanDerWaalsContact C-N 3.28Å; R109-L111 PolarHBondContact O-N 2.9Å; L111-F113 VanDerWaalsContact C-N 3.27Å; L111-F113 PolarHBondContact O-N 3.01Å; L111-V114 PolarHBondContact O-N 3.48Å; L111-R115 WeakPolarHBondContact O-CG 2.85Å; L111-R115 PolarHBondContact O-N 2.91Å; L111-R115 VanDerWaalsContact O-N 3.07Å
112R89.2Confident85.1Confident142 Ų14280.6 Ų80.654%0.53639%0.394SS..Hα-helixtrans-66.9-27.9172.4-164.5-174.4-67.1172.6-6.2112.5R109 R110R109-R112 WeakPolarHBondContact O-CB 3.43Å; R109-R112 PolarHBondContact O-N 3.43Å; R109-R112 VanDerWaalsContact O-N 3.1Å; R110-R112 PolarHBondContact O-N 2.69Å
113F87.4Confident85.3Confident1 Ų174.9 Ų74.90%0.00437%0.371CS..Hα-helixtrans-72-44.9172.7179.4-93.4000110.8F36 R94 A98 Y104 R110 L111 R115 K116F36-F113 AromaticContact CE2-CE2 3.98Å; F36-F113 HydrophobicContact CE2-CE2 3.98Å; F36-F113 HydrophobicContact CE2-CZ 4.27Å; F36-F113 HydrophobicContact CZ-CE2 4.37Å; R94-F113 HydrophobicContact CG-CE1 4.05Å; R94-F113 HydrophobicContact CG-CZ 4Å; A98-F113 HydrophobicContact CB-CD1 4.06Å; A98-F113 HydrophobicContact CB-CD2 3.95Å; A98-F113 HydrophobicContact CB-CE1 4.15Å; A98-F113 HydrophobicContact CB-CE2 4.03Å; A98-F113 HydrophobicContact CB-CG 3.97Å; A98-F113 HydrophobicContact CB-CZ 4.14Å; Y104-F113 HydrophobicContact CD1-CB 3.96Å; Y104-F113 HydrophobicContact CD2-CB 4.46Å; Y104-F113 HydrophobicContact CD2-CD2 4.04Å; Y104-F113 HydrophobicContact CE1-CB 4.16Å; Y104-F113 AromaticContact CE2-CD2 3.85Å; Y104-F113 HydrophobicContact CE2-CD2 3.85Å; Y104-F113 HydrophobicContact CG-CB 4.13Å; R110-F113 WeakPolarHBondContact O-CA 3.48Å; R110-F113 VanDerWaalsContact O-CB 3.23Å; R110-F113 WeakPolarHBondContact O-CB 3.2Å; R110-F113 PolarHBondContact O-N 3.13Å; L111-F113 VanDerWaalsContact C-N 3.27Å; L111-F113 PolarHBondContact O-N 3.01Å; F113-R115 VanDerWaalsContact C-N 3.27Å; F113-R115 PolarHBondContact O-N 2.86Å; F113-K116 HydrophobicContact CD2-CD 4.1Å; F113-K116 HydrophobicContact CE2-CD 4.22Å; F113-K116 VanDerWaalsContact O-CB 3.29Å; F113-K116 WeakPolarHBondContact O-CB 3.46Å; F113-K116 VanDerWaalsContact O-CG 3.31Å; F113-K116 WeakPolarHBondContact O-CG 3.37Å; F113-K116 PolarHBondContact O-N 3.28Å
114V89.3Confident85.3Confident21 Ų2175.4 Ų75.413%0.12737%0.374CS..Hα-helixtrans-60.1-35.3176.7175.20000112.2Y91 I95 R110 L111 K116 C119 L120 L123Y91-V114 WeakPolarHBondContact OH-CG1 3.34Å; I95-V114 HydrophobicContact CD1-CG2 3.9Å; I95-V114 HydrophobicContact CG1-CG2 4.18Å; R110-V114 PolarHBondContact O-N 3.16Å; R110-V114 VanDerWaalsContact O-N 3.13Å; L111-V114 PolarHBondContact O-N 3.48Å; V114-K116 PolarHBondContact O-N 2.9Å; V114-K116 VanDerWaalsContact O-N 3.11Å; V114-C119 WeakPolarHBondContact O-CB 3.39Å; V114-L120 WeakPolarHBondContact O-CD2 3.4Å; V114-L120 WeakPolarHBondContact O-CG 3.22Å; V114-L123 HydrophobicContact CG1-CD2 4.12Å
115R89.4Confident84.9Confident175 Ų17575.6 Ų75.666%0.6638%0.377SS*.THydrogen-bonded Turntrans-68.9-0175.8-73.2-179.6-179.2166.61.1115.1L111 F113L111-R115 WeakPolarHBondContact O-CG 2.85Å; L111-R115 PolarHBondContact O-N 2.91Å; L111-R115 VanDerWaalsContact O-N 3.07Å; F113-R115 VanDerWaalsContact C-N 3.27Å; F113-R115 PolarHBondContact O-N 2.86Å
116K82.9Confident85Confident59 Ų5974.4 Ų74.426%0.25736%0.364SS..SBendtrans-67.1142.5169.5-74.1176.3168.4-1740109.6E40 F113 V114 I118 C119 L120E40-K116 IonicContact OE1-NZ 2.73Å; E40-K116 PolarHBondContact OE1-NZ 3.31Å; F113-K116 HydrophobicContact CD2-CD 4.1Å; F113-K116 HydrophobicContact CE2-CD 4.22Å; F113-K116 VanDerWaalsContact O-CB 3.29Å; F113-K116 WeakPolarHBondContact O-CB 3.46Å; F113-K116 VanDerWaalsContact O-CG 3.31Å; F113-K116 WeakPolarHBondContact O-CG 3.37Å; F113-K116 PolarHBondContact O-N 3.28Å; V114-K116 PolarHBondContact O-N 2.9Å; V114-K116 VanDerWaalsContact O-N 3.11Å; K116-I118 VanDerWaalsContact C-N 3.3Å; K116-I118 PolarHBondContact O-N 3.37Å; K116-C119 HydrophobicContact CB-CB 4.45Å; K116-C119 PolarHBondContact O-N 3.22Å; K116-C119 VanDerWaalsContact O-N 3.12Å; K116-L120 WeakPolarHBondContact O-CG 3.45Å; K116-L120 PolarHBondContact O-N 3.4Å
117P79.8Confident85.1Confident93 Ų9376 Ų7660%0.60437%0.371SS*.Hα-helixtrans-59.9-36.5-174.723-33.7000113.5L120 I121P117-L120 PolarHBondContact O-N 3.43Å; P117-I121 VanDerWaalsContact O-CG1 3.28Å; P117-I121 WeakPolarHBondContact O-CG1 3.32Å; P117-I121 PolarHBondContact O-N 3.39Å
118I76.3Confident84.9Confident78 Ų7870.8 Ų70.840%0.435%0.346SS..Hα-helixtrans-61.6-52.4176-57.9172.8000110.3K116 L120 I121 E122K116-I118 VanDerWaalsContact C-N 3.3Å; K116-I118 PolarHBondContact O-N 3.37Å; I118-L120 VanDerWaalsContact C-N 3.27Å; I118-L120 PolarHBondContact O-N 3.21Å; I118-I121 PolarHBondContact O-N 2.81Å; I118-I121 VanDerWaalsContact O-N 3.15Å; I118-E122 WeakPolarHBondContact O-CG 3.27Å; I118-E122 PolarHBondContact O-N 3.42Å
119C83.9Confident84.6Confident3 Ų366.3 Ų66.32%0.0232%0.319CS..Hα-helixtrans-63.7-31.7-179.6-59.60000112.5Y91 V114 K116 L123Y91-C119 HydrophobicContact CE2-CB 4.41Å; V114-C119 WeakPolarHBondContact O-CB 3.39Å; K116-C119 HydrophobicContact CB-CB 4.45Å; K116-C119 PolarHBondContact O-N 3.22Å; K116-C119 VanDerWaalsContact O-N 3.12Å; C119-L123 VanDerWaalsContact O-CB 3.29Å; C119-L123 WeakPolarHBondContact O-CB 3.37Å; C119-L123 PolarHBondContact O-N 3.06Å
120L85.9Confident84.4Confident80 Ų8065.4 Ų65.442%0.41932%0.321SS..Hα-helixtrans-68.1-40.6174.1-71.4177.7000112.5V114 K116 P117 I118 L123 F124V114-L120 WeakPolarHBondContact O-CD2 3.4Å; V114-L120 WeakPolarHBondContact O-CG 3.22Å; K116-L120 WeakPolarHBondContact O-CG 3.45Å; K116-L120 PolarHBondContact O-N 3.4Å; P117-L120 PolarHBondContact O-N 3.43Å; I118-L120 VanDerWaalsContact C-N 3.27Å; I118-L120 PolarHBondContact O-N 3.21Å; L120-L123 PolarHBondContact O-N 2.96Å; L120-F124 WeakPolarHBondContact O-CB 3.04Å; L120-F124 PolarHBondContact O-N 3.24Å
121I79.5Confident84.1Confident79 Ų7965.2 Ų65.241%0.40533%0.332SS..Hα-helixtrans-63-45.5175.6-68.2164000109.8P117 I118 L123 F124 V125 A152P117-I121 VanDerWaalsContact O-CG1 3.28Å; P117-I121 WeakPolarHBondContact O-CG1 3.32Å; P117-I121 PolarHBondContact O-N 3.39Å; I118-I121 PolarHBondContact O-N 2.81Å; I118-I121 VanDerWaalsContact O-N 3.15Å; I121-L123 PolarHBondContact O-N 2.93Å; I121-F124 PolarHBondContact O-N 3.15Å; I121-V125 HydrophobicContact CG2-CG2 4.46Å; I121-V125 WeakPolarHBondContact O-CG2 3.3Å; I121-V125 PolarHBondContact O-N 3.22Å; I121-A152 HydrophobicContact CG2-CB 3.62Å
122E83.6Confident83.5Confident32 Ų3262.9 Ų62.915%0.1532%0.319CS..Hα-helixtrans-61.9-43176.1-68.1174.4158.900112.2Y91 R94 I118 F124 V125 L126 Y153Y91-E122 HydrophobicContact CD2-CB 4.23Å; Y91-E122 HydrophobicContact CE2-CB 4.29Å; R94-E122 IonicContact CZ-OE1 3.44Å; R94-E122 IonicContact CZ-OE2 3.48Å; R94-E122 IonicContact NH1-OE1 2.69Å; R94-E122 PolarHBondContact NH1-OE1 2.92Å; R94-E122 IonicContact NH1-OE2 2.74Å; R94-E122 PolarHBondContact NH1-OE2 3.41Å; R94-E122 IonicContact NH2-OE1 3.51Å; I118-E122 WeakPolarHBondContact O-CG 3.27Å; I118-E122 PolarHBondContact O-N 3.42Å; E122-F124 VanDerWaalsContact C-N 3.34Å; E122-F124 PolarHBondContact O-N 3.31Å; E122-V125 PolarHBondContact O-N 2.84Å; E122-L126 WeakPolarHBondContact O-CB 3.49Å; E122-L126 PolarHBondContact O-N 3.28Å; E122-Y153 HydrophobicContact CG-CD2 4.5Å; E122-Y153 HydrophobicContact CG-CE2 4.32Å; E122-Y153 VanDerWaalsContact OE1-CE2 3.31Å; E122-Y153 WeakPolarHBondContact OE1-CE2 3.04Å
123L86.9Confident83Confident56 Ų5657 Ų5729%0.29330%0.298SS..Hα-helixtrans-61.5-42.6175.7-179.162.6000111.6Y91 V114 C119 L120 I121 L126 V127Y91-L123 HydrophobicContact CE1-CD1 4.01Å; V114-L123 HydrophobicContact CG1-CD2 4.12Å; C119-L123 VanDerWaalsContact O-CB 3.29Å; C119-L123 WeakPolarHBondContact O-CB 3.37Å; C119-L123 PolarHBondContact O-N 3.06Å; L120-L123 PolarHBondContact O-N 2.96Å; I121-L123 PolarHBondContact O-N 2.93Å; L123-L126 WeakPolarHBondContact O-CB 3.43Å; L123-L126 PolarHBondContact O-N 2.91Å; L123-V127 HydrophobicContact CD1-CG2 4.19Å; L123-V127 HydrophobicContact CG-CG2 4.44Å; L123-V127 WeakPolarHBondContact O-CB 3.45Å; L123-V127 VanDerWaalsContact O-CG2 3.26Å; L123-V127 WeakPolarHBondContact O-CG2 3.48Å; L123-V127 PolarHBondContact O-N 3.35Å
124F84.3Confident82.7Confident130 Ų13059.8 Ų59.857%0.5732%0.322SS*.Hα-helixtrans-61.5-46.7176.5176.7-99.4000111.5L120 I121 E122 L126 V127 T128L120-F124 WeakPolarHBondContact O-CB 3.04Å; L120-F124 PolarHBondContact O-N 3.24Å; I121-F124 PolarHBondContact O-N 3.15Å; E122-F124 VanDerWaalsContact C-N 3.34Å; E122-F124 PolarHBondContact O-N 3.31Å; F124-L126 VanDerWaalsContact C-N 3.32Å; F124-L126 PolarHBondContact O-N 3.17Å; F124-V127 PolarHBondContact O-N 2.87Å; F124-T128 WeakPolarHBondContact O-CB 3.4Å; F124-T128 PolarHBondContact O-N 3.31Å; F124-T128 PolarHBondContact O-OG1 3.42Å; F124-T128 VanDerWaalsContact O-OG1 3.12Å
125V79.3Confident82Confident26 Ų2665.3 Ų65.316%0.15834%0.344CS..Hα-helixtrans-57-47.3175.1176.30000110.3I121 E122 T128 S129 P149I121-V125 HydrophobicContact CG2-CG2 4.46Å; I121-V125 WeakPolarHBondContact O-CG2 3.3Å; I121-V125 PolarHBondContact O-N 3.22Å; E122-V125 PolarHBondContact O-N 2.84Å; V125-T128 PolarHBondContact O-N 3.49Å; V125-S129 WeakPolarHBondContact O-CB 3.42Å; V125-S129 PolarHBondContact O-N 2.83Å; V125-S129 PolarHBondContact O-OG 3.16Å; V125-S129 VanDerWaalsContact O-OG 3.08Å; V125-P149 HydrophobicContact CG2-CB 4.47Å; V125-P149 HydrophobicContact CG2-CG 3.7Å
126L84.9Confident80.8Confident22 Ų2259.3 Ų59.312%0.11533%0.329CS..Hα-helixtrans-60.9-47.8-179.4-161.384.4000112.2L87 V88 Y91 E122 L123 F124 S129 I130L87-L126 HydrophobicContact CB-CD1 4.17Å; V88-L126 HydrophobicContact CB-CD1 4.3Å; V88-L126 HydrophobicContact CG2-CD1 3.58Å; V88-L126 HydrophobicContact CG2-CD2 4.13Å; V88-L126 HydrophobicContact CG2-CG 4.05Å; Y91-L126 HydrophobicContact CD1-CD2 4.28Å; E122-L126 WeakPolarHBondContact O-CB 3.49Å; E122-L126 PolarHBondContact O-N 3.28Å; L123-L126 WeakPolarHBondContact O-CB 3.43Å; L123-L126 PolarHBondContact O-N 2.91Å; F124-L126 VanDerWaalsContact C-N 3.32Å; F124-L126 PolarHBondContact O-N 3.17Å; L126-S129 PolarHBondContact O-N 2.94Å; L126-I130 HydrophobicContact CD2-CD1 4.33Å; L126-I130 HydrophobicContact CG-CD1 4.04Å; L126-I130 VanDerWaalsContact O-CG1 3.29Å; L126-I130 WeakPolarHBondContact O-CG1 3.4Å; L126-I130 PolarHBondContact O-N 2.84Å
127V87Confident80Confident83 Ų8360.3 Ų60.350%0.50335%0.347SS..Hα-helixtrans-63.9-44.9-179.4169.90000110.6L123 F124 I130 A131L123-V127 HydrophobicContact CD1-CG2 4.19Å; L123-V127 HydrophobicContact CG-CG2 4.44Å; L123-V127 WeakPolarHBondContact O-CB 3.45Å; L123-V127 VanDerWaalsContact O-CG2 3.26Å; L123-V127 WeakPolarHBondContact O-CG2 3.48Å; L123-V127 PolarHBondContact O-N 3.35Å; F124-V127 PolarHBondContact O-N 2.87Å; V127-I130 PolarHBondContact O-N 3.29Å; V127-A131 VanDerWaalsContact O-CB 3.29Å; V127-A131 WeakPolarHBondContact O-CB 3.46Å; V127-A131 PolarHBondContact O-N 3.05Å
128T80Confident79.1Confident41 Ų4164.8 Ų64.825%0.25236%0.357SS..Hα-helixtrans-63.3-42.9177.1-60.10000111.3F124 V125 A131 L132F124-T128 WeakPolarHBondContact O-CB 3.4Å; F124-T128 PolarHBondContact O-N 3.31Å; F124-T128 PolarHBondContact O-OG1 3.42Å; F124-T128 VanDerWaalsContact O-OG1 3.12Å; V125-T128 PolarHBondContact O-N 3.49Å; T128-A131 PolarHBondContact O-N 3.03Å; T128-L132 HydrophobicContact CG2-CD1 3.98Å; T128-L132 HydrophobicContact CG2-CG 4.41Å; T128-L132 WeakPolarHBondContact O-CB 3.5Å; T128-L132 VanDerWaalsContact O-CG 3.25Å; T128-L132 WeakPolarHBondContact O-CG 3.44Å; T128-L132 PolarHBondContact O-N 3.36Å
129S79.6Confident78.1Confident26 Ų2667.5 Ų67.518%0.18237%0.368CS..Hα-helixtrans-62.4-44.8177-65.60000112.8V125 L126 L132 L133V125-S129 WeakPolarHBondContact O-CB 3.42Å; V125-S129 PolarHBondContact O-N 2.83Å; V125-S129 PolarHBondContact O-OG 3.16Å; V125-S129 VanDerWaalsContact O-OG 3.08Å; L126-S129 PolarHBondContact O-N 2.94Å; S129-L132 PolarHBondContact O-N 3.47Å; S129-L133 WeakPolarHBondContact O-CG 3.41Å; S129-L133 PolarHBondContact O-N 2.7Å
130I84.7Confident76.7Confident82 Ų8273 Ų7342%0.42140%0.402SS..Hα-helixtrans-65.2-43177.6-67.1166.7000110.7T84 V88 L126 V127 L132 L133 A134T84-I130 HydrophobicContact CG2-CG1 3.94Å; V88-I130 HydrophobicContact CG2-CD1 4.24Å; L126-I130 HydrophobicContact CD2-CD1 4.33Å; L126-I130 HydrophobicContact CG-CD1 4.04Å; L126-I130 VanDerWaalsContact O-CG1 3.29Å; L126-I130 WeakPolarHBondContact O-CG1 3.4Å; L126-I130 PolarHBondContact O-N 2.84Å; V127-I130 PolarHBondContact O-N 3.29Å; I130-L132 VanDerWaalsContact C-N 3.32Å; I130-L132 PolarHBondContact O-N 3.44Å; I130-L133 PolarHBondContact O-N 2.86Å; I130-A134 WeakPolarHBondContact O-CB 3.45Å; I130-A134 PolarHBondContact O-N 2.77Å
131A83.7Confident75Confident51 Ų5178.3 Ų78.342%0.42142%0.422SS..Hα-helixtrans-62.9-38.7178.100000112.3V127 T128 K135V127-A131 VanDerWaalsContact O-CB 3.29Å; V127-A131 WeakPolarHBondContact O-CB 3.46Å; V127-A131 PolarHBondContact O-N 3.05Å; T128-A131 PolarHBondContact O-N 3.03Å; A131-K135 PolarHBondContact O-N 3.43Å; A131-K135 VanDerWaalsContact O-N 3.13Å
132L76Confident73.8Confident40 Ų4077.7 Ų77.721%0.20942%0.418CS..Hα-helixtrans-66.2-46.6175.5-73.4170000111.7T128 S129 I130 A134 K135 C136T128-L132 HydrophobicContact CG2-CD1 3.98Å; T128-L132 HydrophobicContact CG2-CG 4.41Å; T128-L132 WeakPolarHBondContact O-CB 3.5Å; T128-L132 VanDerWaalsContact O-CG 3.25Å; T128-L132 WeakPolarHBondContact O-CG 3.44Å; T128-L132 PolarHBondContact O-N 3.36Å; S129-L132 PolarHBondContact O-N 3.47Å; I130-L132 VanDerWaalsContact C-N 3.32Å; I130-L132 PolarHBondContact O-N 3.44Å; L132-A134 VanDerWaalsContact C-N 3.31Å; L132-A134 PolarHBondContact O-N 3.05Å; L132-K135 PolarHBondContact O-N 3.1Å; L132-C136 WeakPolarHBondContact O-CB 3.39Å; L132-C136 PolarHBondContact O-N 3.32Å
133L78.4Confident72.2Confident18 Ų1881.1 Ų81.19%0.09444%0.443CS..Hα-helixtrans-60.4-40.1176.3-73.2170.7000111.9F77 E80 L81 T84 S129 I130 K135 C136 A137F77-L133 HydrophobicContact CD2-CD2 3.9Å; F77-L133 HydrophobicContact CE2-CD2 3.62Å; F77-L133 HydrophobicContact CZ-CD2 4.33Å; E80-L133 HydrophobicContact CB-CD2 4.08Å; L81-L133 HydrophobicContact CD1-CD1 4.24Å; T84-L133 HydrophobicContact CG2-CD1 4.04Å; S129-L133 WeakPolarHBondContact O-CG 3.41Å; S129-L133 PolarHBondContact O-N 2.7Å; I130-L133 PolarHBondContact O-N 2.86Å; L133-K135 PolarHBondContact O-N 3.44Å; L133-C136 PolarHBondContact O-N 3.4Å; L133-A137 PolarHBondContact O-N 3.33Å
134A80.8Confident70.5Confident60 Ų6081 Ų8150%0.49644%0.443SS..Hα-helixtrans-66.1-34.1177.500000113.2I130 L132I130-A134 WeakPolarHBondContact O-CB 3.45Å; I130-A134 PolarHBondContact O-N 2.77Å; L132-A134 VanDerWaalsContact C-N 3.31Å; L132-A134 PolarHBondContact O-N 3.05Å
135K74.8Confident68.8Low138 Ų13878.9 Ų78.960%0.645%0.449SS*.Hα-helixtrans-73.3-41.7174-76.9-170.8176.2-167.70112.2A131 L132 L133 A137 K138 E139 I142A131-K135 PolarHBondContact O-N 3.43Å; A131-K135 VanDerWaalsContact O-N 3.13Å; L132-K135 PolarHBondContact O-N 3.1Å; L133-K135 PolarHBondContact O-N 3.44Å; K135-A137 PolarHBondContact O-N 2.73Å; K135-K138 PolarHBondContact O-N 2.73Å; K135-E139 PolarHBondContact O-N 2.99Å; K135-E139 VanDerWaalsContact O-N 3.16Å; K135-I142 HydrophobicContact CB-CD1 3.99Å; K135-I142 HydrophobicContact CD-CD1 4.39Å
136C65Low67.4Low49 Ų4983.6 Ų83.633%0.33147%0.472SS..Hα-helixtrans-63.9-24.7-179.6-150.60000112.5F77 L132 L133 K138F77-C136 HydrophobicContact CE2-CB 4.31Å; L132-C136 WeakPolarHBondContact O-CB 3.39Å; L132-C136 PolarHBondContact O-N 3.32Å; L133-C136 PolarHBondContact O-N 3.4Å; C136-K138 PolarHBondContact O-N 3Å
137A65.6Low65.8Low79 Ų7985 Ų8565%0.65348%0.476SS*.THydrogen-bonded Turntrans-67.7-16.6172.200000114L133 K135L133-A137 PolarHBondContact O-N 3.33Å; K135-A137 PolarHBondContact O-N 2.73Å
138K60.6Low63.9Low187 Ų18789.5 Ų89.581%0.81349%0.489SS*.THydrogen-bonded Turntrans-110.9-30.1-178.3-69.4-173.2177.3-175.20113.8K135 C136K135-K138 PolarHBondContact O-N 2.73Å; C136-K138 PolarHBondContact O-N 3Å
139E55.1Low62.4Low135 Ų13589 Ų8963%0.63149%0.487SS*.  trans-138.2129-179.5-68.6-168-170.700112.3K135 K141K135-E139 PolarHBondContact O-N 2.99Å; K135-E139 VanDerWaalsContact O-N 3.16Å; E139-K141 VanDerWaalsContact C-N 3.29Å; E139-K141 PolarHBondContact O-N 2.89Å
140V55Low60.8Low119 Ų11990.6 Ų90.672%0.72150%0.495SS*.SBendtrans-75.9-10.1-174.2177.20000113.1
141K51Low58.9Low192 Ų19290.1 Ų90.184%0.83550%0.499SS*.  trans-113.145.2-165.9-73-174.3175.3178.90115.2E139E139-K141 VanDerWaalsContact C-N 3.29Å; E139-K141 PolarHBondContact O-N 2.89Å
142I52.9Low56.9Low65 Ų6589.3 Ų89.333%0.33349%0.493SS..  trans-105.2105.9166.4-53174.9000107.7K135 L144K135-I142 HydrophobicContact CB-CD1 3.99Å; K135-I142 HydrophobicContact CD-CD1 4.39Å; I142-L144 PolarHBondContact O-N 3.44Å; I142-L144 VanDerWaalsContact O-N 3.16Å
143P50.5Low55.5Low105 Ų10590.5 Ų90.568%0.68250%0.495SS*.  trans-60.8125.5173.526-30.7000107.8A145P143-A145 PolarHBondContact O-N 3.07Å
144L51.9Low53.8Low54 Ų5494.2 Ų94.228%0.28351%0.514SS..THydrogen-bonded Turntrans-7137.3-170.4-158.567.9000113.6T65 L76 E80 I142 R147T65-L144 HydrophobicContact CG2-CD2 4Å; T65-L144 HydrophobicContact CG2-CG 4.29Å; L76-L144 HydrophobicContact CD2-CD2 3.15Å; L76-L144 HydrophobicContact CG-CD2 3.61Å; E80-L144 WeakPolarHBondContact OE1-CD1 3.45Å; E80-L144 WeakPolarHBondContact OE1-CD2 3.35Å; I142-L144 PolarHBondContact O-N 3.44Å; I142-L144 VanDerWaalsContact O-N 3.16Å; L144-R147 VanDerWaalsContact CD1-CZ 3.47Å; L144-R147 VanDerWaalsContact CD1-NH1 3.26Å; L144-R147 HydrophobicContact CG-CG 4.26Å; L144-R147 VanDerWaalsContact CG-NH1 3.29Å; L144-R147 VanDerWaalsContact O-CG 3.3Å; L144-R147 WeakPolarHBondContact O-CG 3.42Å
145A48.6Very low51.9Low85 Ų8594 Ų9470%0.70251%0.512SS*.THydrogen-bonded Turntrans-93.2-11.5-175.300000113P143 R147P143-A145 PolarHBondContact O-N 3.07Å; A145-R147 PolarHBondContact O-N 3.24Å
146I49.9Very low50.3Low125 Ų12589.7 Ų89.764%0.64150%0.502SS*.  trans-86.357.2-179.1-47.5179.5000109.8
147R51.1Low49.3Very low51 Ų5191.6 Ų91.619%0.19251%0.514CS..  trans-12116-157.7-92-71.4159.281.61.7117.4T65 E80 L144 A145T65-R147 HydrophobicContact CG2-CG 4.4Å; E80-R147 IonicContact OE1-CZ 3.98Å; E80-R147 IonicContact OE1-NH1 2.65Å; E80-R147 PolarHBondContact OE1-NH1 2.91Å; E80-R147 IonicContact OE1-NH2 2.84Å; E80-R147 PolarHBondContact OE1-NH2 3.26Å; E80-R147 IonicContact OE2-CZ 2.71Å; E80-R147 IonicContact OE2-NH1 3.8Å; E80-R147 PolarHBondContact OE2-NH1 3.39Å; E80-R147 IonicContact OE2-NH2 3.59Å; E80-R147 PolarHBondContact OE2-NH2 2.93Å; L144-R147 VanDerWaalsContact CD1-CZ 3.47Å; L144-R147 VanDerWaalsContact CD1-NH1 3.26Å; L144-R147 HydrophobicContact CG-CG 4.26Å; L144-R147 VanDerWaalsContact CG-NH1 3.29Å; L144-R147 VanDerWaalsContact O-CG 3.3Å; L144-R147 WeakPolarHBondContact O-CG 3.42Å; A145-R147 PolarHBondContact O-N 3.24Å
148F47.7Very low48.4Very low177 Ų17793.6 Ų93.678%0.77652%0.523SS*.THydrogen-bonded Turntrans-58.7153.9147.1-69.1-83000109.4
149P48.5Very low47.6Very low32 Ų3289.9 Ų89.921%0.20851%0.512CS..THydrogen-bonded Turncis-128.26210.518.98.1000113.4V125 S151 A152V125-P149 HydrophobicContact CG2-CB 4.47Å; V125-P149 HydrophobicContact CG2-CG 3.7Å; P149-S151 PolarHBondContact O-N 3.42Å; P149-S151 VanDerWaalsContact O-N 3.12Å; P149-A152 HydrophobicContact CB-CB 4.18Å; P149-A152 VanDerWaalsContact O-CB 3.26Å; P149-A152 WeakPolarHBondContact O-CB 3.36Å; P149-A152 PolarHBondContact O-N 2.87Å
150V44.3Very low47.2Very low58 Ų5889.4 Ų89.435%0.35251%0.505SS..G310 helixtrans-53.5-29.8171.6149.80000112.8I58 A152 Y153I58-V150 HydrophobicContact CG2-CB 3.99Å; I58-V150 HydrophobicContact CG2-CG1 3.1Å; I58-V150 HydrophobicContact CG2-CG2 3.77Å; V150-A152 PolarHBondContact O-N 2.9Å; V150-Y153 PolarHBondContact O-N 3.26Å
151S44.8Very low46.7Very low73 Ų7390.5 Ų90.551%0.5150%0.502SS..G310 helixtrans-65.1-17174.652.70000114.5P149 Y153 I154P149-S151 PolarHBondContact O-N 3.42Å; P149-S151 VanDerWaalsContact O-N 3.12Å; S151-Y153 VanDerWaalsContact C-N 3.33Å; S151-Y153 PolarHBondContact O-N 3.36Å; S151-I154 PolarHBondContact O-N 3.45Å
152A43.3Very low46.5Very low34 Ų3482.6 Ų82.628%0.28147%0.472SS..G310 helixtrans-72.2-25.2-178.600000113.6I121 P149 V150 I154I121-A152 HydrophobicContact CG2-CB 3.62Å; P149-A152 HydrophobicContact CB-CB 4.18Å; P149-A152 VanDerWaalsContact O-CB 3.26Å; P149-A152 WeakPolarHBondContact O-CB 3.36Å; P149-A152 PolarHBondContact O-N 2.87Å; V150-A152 PolarHBondContact O-N 2.9Å; A152-I154 VanDerWaalsContact C-N 3.31Å; A152-I154 PolarHBondContact O-N 3.1Å
153Y46.4Very low46.2Very low64 Ų6484 Ų8425%0.25148%0.48SS..THydrogen-bonded Turntrans-71.8-27.4179.9-148.4-107.4000112.7V54 E90 R94 E122 V150 S151V54-Y153 HydrophobicContact CG1-CE1 4.39Å; E90-Y153 PolarHBondContact OE1-OH 2.95Å; E90-Y153 PolarHBondContact OE2-OH 3.44Å; R94-Y153 PolarHBondContact NH2-OH 2.92Å; E122-Y153 HydrophobicContact CG-CD2 4.5Å; E122-Y153 HydrophobicContact CG-CE2 4.32Å; E122-Y153 VanDerWaalsContact OE1-CE2 3.31Å; E122-Y153 WeakPolarHBondContact OE1-CE2 3.04Å; V150-Y153 PolarHBondContact O-N 3.26Å; S151-Y153 VanDerWaalsContact C-N 3.33Å; S151-Y153 PolarHBondContact O-N 3.36Å
154I42.4Very low46.1Very low96 Ų9687.8 Ų87.849%0.49248%0.481SS..THydrogen-bonded Turntrans-89.5-22.4-175.2-61.6134.3000111.7F55 S151 A152 A156F55-I154 HydrophobicContact CD2-CD1 3.54Å; F55-I154 HydrophobicContact CD2-CG1 3.41Å; F55-I154 VanDerWaalsContact CD2-CG1 3.41Å; F55-I154 HydrophobicContact CE2-CD1 3.33Å; F55-I154 HydrophobicContact CE2-CG1 3.51Å; F55-I154 HydrophobicContact CE2-CG2 4.34Å; S151-I154 PolarHBondContact O-N 3.45Å; A152-I154 VanDerWaalsContact C-N 3.31Å; A152-I154 PolarHBondContact O-N 3.1Å; I154-A156 PolarHBondContact O-N 2.88Å; I154-A156 VanDerWaalsContact O-N 3.08Å
155A40.6Very low46.1Very low57 Ų5791.1 Ų91.147%0.47150%0.495SS..  trans-83.827.3-173.900000114.5P157 R160A155-P157 WeakPolarHBondContact O-CD 3.39Å; A155-R160 PolarHBondContact O-NH2 3.26Å
156A41.5Very low46.4Very low47 Ų4787.8 Ų87.839%0.38847%0.465SS..  trans-105.675177.800000113.3I154 S158I154-A156 PolarHBondContact O-N 2.88Å; I154-A156 VanDerWaalsContact O-N 3.08Å; A156-S158 PolarHBondContact O-N 3.19Å; A156-S158 VanDerWaalsContact O-N 3.08Å
157P43.9Very low46.6Very low88 Ų8887 Ų8757%0.57148%0.477SS*.  trans-64.6116.3160.926-26.3000107.9A155 N159A155-P157 WeakPolarHBondContact O-CD 3.39Å; P157-N159 PolarHBondContact O-N 2.86Å
158S47.1Very low47.1Very low122 Ų12285.2 Ų85.285%0.85347%0.473SS*.SBendtrans-63.221.9179.850.80000114.9A156A156-S158 PolarHBondContact O-N 3.19Å; A156-S158 VanDerWaalsContact O-N 3.08Å
159N43.3Very low48.2Very low108 Ų10881.1 Ų81.158%0.57846%0.458SS*.  trans-140.956.1174.2-101.9-27000109.7P157 Q161 A162P157-N159 PolarHBondContact O-N 2.86Å; N159-Q161 PolarHBondContact O-N 3.23Å; N159-A162 HydrophobicContact CB-CB 4.1Å; N159-A162 WeakPolarHBondContact O-CB 3.36Å; N159-A162 PolarHBondContact O-N 3.18Å
160R47Very low49.5Very low126 Ų12682 Ų8248%0.47547%0.473SS..Hα-helixtrans-64-10.5-179.7-146.1169.2-74.2-121.91.7113.2A155A155-R160 PolarHBondContact O-NH2 3.26Å
161Q44.8Very low51.3Low142 Ų14285.2 Ų85.266%0.66449%0.485SS*.Hα-helixtrans-74.5-25.9166.1-75.7-178.3-4.500113.5N159 Q165N159-Q161 PolarHBondContact O-N 3.23Å; Q161-Q165 VanDerWaalsContact O-CB 3.24Å; Q161-Q165 WeakPolarHBondContact O-CB 3.48Å; Q161-Q165 VanDerWaalsContact O-CD 3.26Å; Q161-Q165 WeakPolarHBondContact O-CG 3.32Å; Q161-Q165 PolarHBondContact O-N 3.15Å; Q161-Q165 PolarHBondContact O-OE1 3.03Å
162A46Very low53.3Low26 Ų2683.2 Ų83.222%0.21547%0.468CS..Hα-helixtrans-71.5-33.6-176.400000112.5N159 L166 K264N159-A162 HydrophobicContact CB-CB 4.1Å; N159-A162 WeakPolarHBondContact O-CB 3.36Å; N159-A162 PolarHBondContact O-N 3.18Å; A162-L166 WeakPolarHBondContact O-CD1 3.38Å; A162-K264 VanDerWaalsContact CA-NZ 3.28Å; A162-K264 HydrophobicContact CB-CD 4.42Å; A162-K264 PolarHBondContact O-NZ 3.48Å
163L46.3Very low55.4Low93 Ų9386.1 Ų86.149%0.48748%0.482SS..Hα-helixtrans-72.2-41-178.2-169.466000112.1Q165 L166 F261L163-Q165 VanDerWaalsContact C-N 3.34Å; L163-L166 WeakPolarHBondContact O-CD1 3.5Å; L163-F261 HydrophobicContact CD1-CE1 4.17Å; L163-F261 HydrophobicContact CD1-CZ 3.63Å
164W48.7Very low57.4Low186 Ų18686.8 Ų86.871%0.70549%0.493SS*.Hα-helixtrans-79.9-14.6178.1-61.2111.9000114.2
165Q52.7Low59.8Low124 Ų12482.8 Ų82.858%0.57947%0.473SS*.THydrogen-bonded Turntrans-937.8177.7-73.6173.8-1.500113.1Q161 L163 A167Q161-Q165 VanDerWaalsContact O-CB 3.24Å; Q161-Q165 WeakPolarHBondContact O-CB 3.48Å; Q161-Q165 VanDerWaalsContact O-CD 3.26Å; Q161-Q165 WeakPolarHBondContact O-CG 3.32Å; Q161-Q165 PolarHBondContact O-N 3.15Å; Q161-Q165 PolarHBondContact O-OE1 3.03Å; L163-Q165 VanDerWaalsContact C-N 3.34Å; Q165-A167 PolarHBondContact O-N 3.21Å; Q165-A167 VanDerWaalsContact O-N 3.14Å
166L54.6Low62.3Low15 Ų1584 Ų848%0.07947%0.471CS..  trans-69.2111.7166-81.6112000107.3A162 L163 S168 G260 F261A162-L166 WeakPolarHBondContact O-CD1 3.38Å; L163-L166 WeakPolarHBondContact O-CD1 3.5Å; L166-S168 PolarHBondContact O-N 3.42Å; L166-G260 VanDerWaalsContact CD2-C 3.44Å; L166-F261 HydrophobicContact CD1-CD1 4.29Å; L166-F261 HydrophobicContact CD1-CE1 3.82Å; L166-F261 HydrophobicContact CD1-CZ 4.26Å
167A52.9Low64.7Low107 Ų10788.9 Ų88.988%0.88448%0.48SS*.THydrogen-bonded Turntrans-59.1-3.4-178.800000114Q165 L169Q165-A167 PolarHBondContact O-N 3.21Å; Q165-A167 VanDerWaalsContact O-N 3.14Å; A167-L169 VanDerWaalsContact C-N 3.31Å; A167-L169 PolarHBondContact O-N 3.06Å
168S62Low67.1Low15 Ų1587.5 Ų87.511%0.10547%0.467CS..THydrogen-bonded Turntrans-85.511.5-177.2570000114.5L166 G170 E171 L172L166-S168 PolarHBondContact O-N 3.42Å; S168-G170 PolarHBondContact O-N 3.35Å; S168-E171 PolarHBondContact O-N 2.9Å; S168-L172 VanDerWaalsContact O-CB 3.26Å; S168-L172 WeakPolarHBondContact O-CB 3.31Å; S168-L172 PolarHBondContact O-N 2.94Å
169L70.8Confident69.4Low91 Ų9182 Ų8248%0.47643%0.429SS..Hα-helixtrans-57.2-36.7175.9-71.7177.8000111.8A167 V173A167-L169 VanDerWaalsContact C-N 3.31Å; A167-L169 PolarHBondContact O-N 3.06Å; L169-V173 WeakPolarHBondContact O-CB 3.42Å; L169-V173 WeakPolarHBondContact O-CG2 3.48Å; L169-V173 PolarHBondContact O-N 3.34Å
170G77.1Confident71.8Confident51 Ų5180.4 Ų80.453%0.52642%0.423SS..Hα-helixtrans-64.2-50175.900000112.8S168 L172 V173 T174S168-G170 PolarHBondContact O-N 3.35Å; G170-L172 VanDerWaalsContact C-N 3.34Å; G170-L172 PolarHBondContact O-N 3.41Å; G170-V173 PolarHBondContact O-N 3.01Å; G170-T174 PolarHBondContact O-N 3.27Å; G170-T174 VanDerWaalsContact O-N 3.16Å; G170-T174 PolarHBondContact O-OG1 2.88Å
171E81Confident74.1Confident125 Ų12577.2 Ų77.258%0.58442%0.415SS*.Hα-helixtrans-61.8-43.1178.2-65171.2178.700111.3S168 T174 T175 I256S168-E171 PolarHBondContact O-N 2.9Å; E171-T174 PolarHBondContact O-N 3.35Å; E171-T175 WeakPolarHBondContact O-CG2 3.43Å; E171-T175 PolarHBondContact O-N 3.44Å; E171-I256 HydrophobicContact CB-CD1 4.36Å
172L86.3Confident76.5Confident31 Ų3170.9 Ų70.916%0.16239%0.388CS..Hα-helixtrans-62.6-46.1178.8-177.265.7000111.5S168 G170 T174 T175 I176 P253S168-L172 VanDerWaalsContact O-CB 3.26Å; S168-L172 WeakPolarHBondContact O-CB 3.31Å; S168-L172 PolarHBondContact O-N 2.94Å; G170-L172 VanDerWaalsContact C-N 3.34Å; G170-L172 PolarHBondContact O-N 3.41Å; L172-T174 VanDerWaalsContact C-N 3.31Å; L172-T174 PolarHBondContact O-N 3.3Å; L172-T175 PolarHBondContact O-N 3.4Å; L172-T175 PolarHBondContact O-OG1 3.43Å; L172-I176 HydrophobicContact CD1-CD1 4.1Å; L172-I176 HydrophobicContact CD1-CG1 4.41Å; L172-I176 HydrophobicContact CD2-CD1 4.49Å; L172-I176 HydrophobicContact CG-CD1 3.86Å; L172-I176 WeakPolarHBondContact O-CG1 3.41Å; L172-I176 PolarHBondContact O-N 3.22Å; L172-P253 HydrophobicContact CD1-CB 3.65Å; L172-P253 HydrophobicContact CD1-CG 4.11Å
173V88Confident78.9Confident94 Ų9470.9 Ų70.957%0.5738%0.384SS*.Hα-helixtrans-59.6-43.2178168.30000110.9L169 G170 T175 I176 Y177L169-V173 WeakPolarHBondContact O-CB 3.42Å; L169-V173 WeakPolarHBondContact O-CG2 3.48Å; L169-V173 PolarHBondContact O-N 3.34Å; G170-V173 PolarHBondContact O-N 3.01Å; V173-T175 PolarHBondContact O-N 3.26Å; V173-I176 PolarHBondContact O-N 2.96Å; V173-Y177 VanDerWaalsContact O-CB 3.29Å; V173-Y177 WeakPolarHBondContact O-CB 3.37Å; V173-Y177 PolarHBondContact O-N 2.99Å
174T89.3Confident81.3Confident78 Ų7870.1 Ų70.148%0.47938%0.379SS..Hα-helixtrans-61.3-44.9176.6-57.20000111.8G170 E171 L172 Y177 I178G170-T174 PolarHBondContact O-N 3.27Å; G170-T174 VanDerWaalsContact O-N 3.16Å; G170-T174 PolarHBondContact O-OG1 2.88Å; E171-T174 PolarHBondContact O-N 3.35Å; L172-T174 VanDerWaalsContact C-N 3.31Å; L172-T174 PolarHBondContact O-N 3.3Å; T174-Y177 PolarHBondContact O-N 3.48Å; T174-I178 HydrophobicContact CG2-CD1 3.9Å; T174-I178 WeakPolarHBondContact O-CG1 3.41Å; T174-I178 PolarHBondContact O-N 3.42Å
175T91.8Very high83.5Confident13 Ų1366.8 Ų66.88%0.0837%0.37CS..Hα-helixtrans-65.2-41.1178.758.60000112.8E171 L172 V173 I178 S179 L252 I256E171-T175 WeakPolarHBondContact O-CG2 3.43Å; E171-T175 PolarHBondContact O-N 3.44Å; L172-T175 PolarHBondContact O-N 3.4Å; L172-T175 PolarHBondContact O-OG1 3.43Å; V173-T175 PolarHBondContact O-N 3.26Å; T175-I178 PolarHBondContact O-N 3.35Å; T175-S179 WeakPolarHBondContact O-CB 3.35Å; T175-S179 PolarHBondContact O-N 3.41Å; T175-S179 PolarHBondContact O-OG 3.25Å; T175-L252 HydrophobicContact CG2-CB 3.82Å; T175-L252 HydrophobicContact CG2-CD1 3.63Å; T175-L252 HydrophobicContact CG2-CG 4.38Å; T175-I256 HydrophobicContact CG2-CD1 3.69Å
176I92.4Very high85.5Confident83 Ų8361.2 Ų61.243%0.42635%0.346SS..Hα-helixtrans-64-44.1175.8-67.8170.4000109.9L172 V173 S179 V180L172-I176 HydrophobicContact CD1-CD1 4.1Å; L172-I176 HydrophobicContact CD1-CG1 4.41Å; L172-I176 HydrophobicContact CD2-CD1 4.49Å; L172-I176 HydrophobicContact CG-CD1 3.86Å; L172-I176 WeakPolarHBondContact O-CG1 3.41Å; L172-I176 PolarHBondContact O-N 3.22Å; V173-I176 PolarHBondContact O-N 2.96Å; I176-S179 WeakPolarHBondContact O-CB 3.49Å; I176-S179 PolarHBondContact O-N 2.98Å; I176-V180 HydrophobicContact CG2-CG2 4.31Å; I176-V180 VanDerWaalsContact O-CG2 3.31Å; I176-V180 WeakPolarHBondContact O-CG2 3.48Å; I176-V180 PolarHBondContact O-N 3.21Å
177Y93.6Very high87.5Confident148 Ų14860.5 Ų60.558%0.5834%0.342SS*.Hα-helixtrans-59.6-48.9177.9176.4-102.4000112.3V173 T174 S179 V180 L181V173-Y177 VanDerWaalsContact O-CB 3.29Å; V173-Y177 WeakPolarHBondContact O-CB 3.37Å; V173-Y177 PolarHBondContact O-N 2.99Å; T174-Y177 PolarHBondContact O-N 3.48Å; Y177-S179 VanDerWaalsContact C-N 3.29Å; Y177-S179 PolarHBondContact O-N 2.93Å; Y177-V180 PolarHBondContact O-N 3.32Å; Y177-L181 HydrophobicContact CD1-CD1 4.05Å; Y177-L181 HydrophobicContact CE1-CD1 3.39Å; Y177-L181 HydrophobicContact CE1-CG 4.25Å; Y177-L181 HydrophobicContact CE2-CD1 4.24Å; Y177-L181 HydrophobicContact CE2-CG 4.35Å; Y177-L181 PolarHBondContact O-N 3.07Å
178I93.8Very high89.6Confident60 Ų6060.9 Ų60.931%0.30832%0.321SS..Hα-helixtrans-61.3-40.6176.4-66.4168.2000110.6T174 T175 L181 G182 F249T174-I178 HydrophobicContact CG2-CD1 3.9Å; T174-I178 WeakPolarHBondContact O-CG1 3.41Å; T174-I178 PolarHBondContact O-N 3.42Å; T175-I178 PolarHBondContact O-N 3.35Å; I178-L181 PolarHBondContact O-N 3.17Å; I178-G182 PolarHBondContact O-N 3.49Å; I178-F249 HydrophobicContact CB-CD1 4.39Å; I178-F249 HydrophobicContact CD1-CE1 4.29Å; I178-F249 HydrophobicContact CG2-CB 4.4Å; I178-F249 HydrophobicContact CG2-CD1 3.7Å; I178-F249 HydrophobicContact CG2-CD2 4.11Å; I178-F249 HydrophobicContact CG2-CE1 3.93Å; I178-F249 HydrophobicContact CG2-CE2 4.32Å; I178-F249 HydrophobicContact CG2-CG 3.81Å; I178-F249 HydrophobicContact CG2-CZ 4.24Å
179S94Very high91.2Very high7 Ų765.3 Ų65.35%0.04934%0.339CS..Hα-helixtrans-64.3-42.9178.2-57.70000112T175 I176 Y177 G182 L183 F249 F250T175-S179 WeakPolarHBondContact O-CB 3.35Å; T175-S179 PolarHBondContact O-N 3.41Å; T175-S179 PolarHBondContact O-OG 3.25Å; I176-S179 WeakPolarHBondContact O-CB 3.49Å; I176-S179 PolarHBondContact O-N 2.98Å; Y177-S179 VanDerWaalsContact C-N 3.29Å; Y177-S179 PolarHBondContact O-N 2.93Å; S179-G182 PolarHBondContact O-N 3.23Å; S179-L183 PolarHBondContact O-N 2.98Å; S179-F249 PolarHBondContact OG-O 2.76Å; S179-F250 WeakPolarHBondContact O-CE2 3.47Å; S179-F250 VanDerWaalsContact O-CZ 3.3Å; S179-F250 WeakPolarHBondContact O-CZ 3.2Å
180V95.4Very high92.4Very high73 Ų7361 Ų6144%0.44232%0.316SS..Hα-helixtrans-65.4-43.3176.71710000111.3I176 Y177 L183 I184I176-V180 HydrophobicContact CG2-CG2 4.31Å; I176-V180 VanDerWaalsContact O-CG2 3.31Å; I176-V180 WeakPolarHBondContact O-CG2 3.48Å; I176-V180 PolarHBondContact O-N 3.21Å; Y177-V180 PolarHBondContact O-N 3.32Å; V180-L183 WeakPolarHBondContact O-CB 3.4Å; V180-L183 PolarHBondContact O-N 3.36Å; V180-I184 HydrophobicContact CG1-CD1 4.09Å; V180-I184 WeakPolarHBondContact O-CG1 3.45Å; V180-I184 PolarHBondContact O-N 3.32Å
181L95.4Very high93.3Very high60 Ų6060.7 Ų60.731%0.31430%0.301SS..Hα-helixtrans-61.8-45.4173.9-74.5-178.6000111.6Y177 I178 L183 I184 F185Y177-L181 HydrophobicContact CD1-CD1 4.05Å; Y177-L181 HydrophobicContact CE1-CD1 3.39Å; Y177-L181 HydrophobicContact CE1-CG 4.25Å; Y177-L181 HydrophobicContact CE2-CD1 4.24Å; Y177-L181 HydrophobicContact CE2-CG 4.35Å; Y177-L181 PolarHBondContact O-N 3.07Å; I178-L181 PolarHBondContact O-N 3.17Å; L181-L183 VanDerWaalsContact C-N 3.27Å; L181-L183 PolarHBondContact O-N 3.2Å; L181-I184 PolarHBondContact O-N 3.47Å; L181-F185 HydrophobicContact CD2-CE2 4.48Å; L181-F185 VanDerWaalsContact O-CD2 3.26Å; L181-F185 WeakPolarHBondContact O-CD2 3.41Å; L181-F185 PolarHBondContact O-N 2.94Å
182G94.8Very high94Very high9 Ų958.1 Ų58.19%0.09329%0.29CS..Hα-helixtrans-56.3-41.9174.900000112.5I178 S179 G186 L246I178-G182 PolarHBondContact O-N 3.49Å; S179-G182 PolarHBondContact O-N 3.23Å; G182-G186 WeakPolarHBondContact O-CA 3.46Å; G182-G186 PolarHBondContact O-N 3.16Å; G182-L246 WeakPolarHBondContact O-CD1 3.24Å
183L96.1Very high94.4Very high26 Ų2657.6 Ų57.614%0.13629%0.291CS..Hα-helixtrans-60.2-49.7174.8-176.363.8000111.8S179 V180 L181 S187 M213 V217 F220 F250S179-L183 PolarHBondContact O-N 2.98Å; V180-L183 WeakPolarHBondContact O-CB 3.4Å; V180-L183 PolarHBondContact O-N 3.36Å; L181-L183 VanDerWaalsContact C-N 3.27Å; L181-L183 PolarHBondContact O-N 3.2Å; L183-S187 WeakPolarHBondContact O-CB 3.41Å; L183-S187 PolarHBondContact O-N 3.4Å; L183-S187 PolarHBondContact O-OG 3.12Å; L183-M213 HydrophobicContact CD2-CG 4.39Å; L183-M213 HydrophobicContact CG-CG 4.4Å; L183-V217 HydrophobicContact CD1-CG2 3.88Å; L183-V217 HydrophobicContact CD2-CG2 3.84Å; L183-F220 HydrophobicContact CD1-CD2 3.81Å; L183-F220 HydrophobicContact CD1-CE2 3.98Å; L183-F250 HydrophobicContact CB-CZ 4.13Å
184I96.8Very high94.7Very high76 Ų7653.2 Ų53.239%0.3926%0.264SS..Hα-helixtrans-61.1-51.7-178-67165.9000110.3V180 L181 Y188 Y209V180-I184 HydrophobicContact CG1-CD1 4.09Å; V180-I184 WeakPolarHBondContact O-CG1 3.45Å; V180-I184 PolarHBondContact O-N 3.32Å; L181-I184 PolarHBondContact O-N 3.47Å; I184-Y188 VanDerWaalsContact O-CB 3.28Å; I184-Y188 WeakPolarHBondContact O-CB 3.38Å; I184-Y188 PolarHBondContact O-N 3.05Å; I184-Y209 PolarHBondContact O-OH 3.08Å
185F95.4Very high94.7Very high117 Ų11753.7 Ų53.751%0.51326%0.259SS..Hα-helixtrans-67.6-44.6-179.4-75.8-69.2000112.4L181 S187 Y188 F189L181-F185 HydrophobicContact CD2-CE2 4.48Å; L181-F185 VanDerWaalsContact O-CD2 3.26Å; L181-F185 WeakPolarHBondContact O-CD2 3.41Å; L181-F185 PolarHBondContact O-N 2.94Å; F185-S187 VanDerWaalsContact C-N 3.35Å; F185-S187 PolarHBondContact O-N 3.14Å; F185-Y188 PolarHBondContact O-N 2.99Å; F185-F189 HydrophobicContact CB-CE2 4.37Å; F185-F189 HydrophobicContact CD1-CE2 4.48Å; F185-F189 WeakPolarHBondContact O-CD2 3.46Å; F185-F189 PolarHBondContact O-N 3.08Å
186G94.4Very high94.6Very high6 Ų659.3 Ų59.36%0.06229%0.289CS..Hα-helixtrans-60.9-42.917900000112.4G182 M190G182-G186 WeakPolarHBondContact O-CA 3.46Å; G182-G186 PolarHBondContact O-N 3.16Å; G186-M190 WeakPolarHBondContact O-CB 3.43Å; G186-M190 PolarHBondContact O-N 2.91Å; G186-M190 VanDerWaalsContact O-N 3.09Å
187S96Very high94.4Very high0 Ų057 Ų570%028%0.279CS..Hα-helixtrans-69.7-37.8177.1-50.70000111.9L183 F185 M190 F191 A212 M213L183-S187 WeakPolarHBondContact O-CB 3.41Å; L183-S187 PolarHBondContact O-N 3.4Å; L183-S187 PolarHBondContact O-OG 3.12Å; F185-S187 VanDerWaalsContact C-N 3.35Å; F185-S187 PolarHBondContact O-N 3.14Å; S187-M190 PolarHBondContact O-N 3.49Å; S187-F191 WeakPolarHBondContact O-CB 3.26Å; S187-F191 PolarHBondContact O-N 3.25Å; S187-A212 WeakPolarHBondContact O-CB 3.34Å; S187-M213 WeakPolarHBondContact OG-CA 3.25Å
188Y96.2Very high93.9Very high115 Ų11556.8 Ų56.845%0.45129%0.293SS..Hα-helixtrans-63.6-46.8177.2-179.5-104.2000112.3I184 F185 M190 F191 L192 Y209I184-Y188 VanDerWaalsContact O-CB 3.28Å; I184-Y188 WeakPolarHBondContact O-CB 3.38Å; I184-Y188 PolarHBondContact O-N 3.05Å; F185-Y188 PolarHBondContact O-N 2.99Å; Y188-M190 VanDerWaalsContact C-N 3.32Å; Y188-M190 PolarHBondContact O-N 3.42Å; Y188-F191 PolarHBondContact O-N 3.46Å; Y188-L192 HydrophobicContact CD1-CD1 4.09Å; Y188-L192 HydrophobicContact CE1-CD1 3.46Å; Y188-L192 VanDerWaalsContact CE1-CD1 3.46Å; Y188-L192 HydrophobicContact CE1-CG 4.21Å; Y188-L192 HydrophobicContact CE2-CD1 4.48Å; Y188-L192 HydrophobicContact CE2-CG 4.48Å; Y188-L192 WeakPolarHBondContact O-CG 2.98Å; Y188-L192 PolarHBondContact O-N 2.83Å; Y188-Y209 HydrophobicContact CD2-CE2 4.37Å
189F95.9Very high93.3Very high109 Ų10955 Ų5548%0.47828%0.283SS..Hα-helixtrans-64.4-38.5176.1-72-58.1000112F185 L192 A193 I238F185-F189 HydrophobicContact CB-CE2 4.37Å; F185-F189 HydrophobicContact CD1-CE2 4.48Å; F185-F189 WeakPolarHBondContact O-CD2 3.46Å; F185-F189 PolarHBondContact O-N 3.08Å; F189-L192 PolarHBondContact O-N 2.93Å; F189-A193 WeakPolarHBondContact O-CB 3.49Å; F189-A193 PolarHBondContact O-N 3Å; F189-A193 VanDerWaalsContact O-N 3.08Å; F189-I238 HydrophobicContact CB-CD1 4.18Å; F189-I238 HydrophobicContact CB-CG2 3.97Å
190M96Very high92.5Very high0 Ų058.7 Ų58.70%031%0.307CS..Hα-helixtrans-63.1-46.1175.3-174.557.282.400111.9G186 S187 Y188 L192 A193 E194 I206 W215 P230 G235 A239G186-M190 WeakPolarHBondContact O-CB 3.43Å; G186-M190 PolarHBondContact O-N 2.91Å; G186-M190 VanDerWaalsContact O-N 3.09Å; S187-M190 PolarHBondContact O-N 3.49Å; Y188-M190 VanDerWaalsContact C-N 3.32Å; Y188-M190 PolarHBondContact O-N 3.42Å; M190-L192 VanDerWaalsContact C-N 3.32Å; M190-L192 PolarHBondContact O-N 2.93Å; M190-A193 PolarHBondContact O-N 3.35Å; M190-A193 VanDerWaalsContact O-N 3.14Å; M190-E194 PolarHBondContact O-N 3.33Å; M190-E194 HydrophobicContact SD-CG 3.69Å; M190-I206 HydrophobicContact CG-CD1 4.28Å; M190-W215 HydrophobicContact CB-CE3 3.78Å; M190-W215 HydrophobicContact CB-CH2 4.46Å; M190-W215 HydrophobicContact CB-CZ3 3.65Å; M190-W215 HydrophobicContact CE-CD2 4Å; M190-W215 HydrophobicContact CE-CE3 3.97Å; M190-W215 HydrophobicContact CE-CH2 3.23Å; M190-W215 HydrophobicContact CE-CZ2 3.23Å; M190-W215 HydrophobicContact CE-CZ3 3.6Å; M190-W215 HydrophobicContact CG-CD2 4Å; M190-W215 HydrophobicContact CG-CE3 3.58Å; M190-W215 HydrophobicContact CG-CH2 4.43Å; M190-W215 HydrophobicContact CG-CZ3 3.81Å; M190-P230 HydrophobicContact CE-CB 3.81Å; M190-P230 HydrophobicContact CE-CG 3.81Å; M190-P230 HydrophobicContact SD-CB 3.76Å; M190-P230 HydrophobicContact SD-CG 4.4Å; M190-G235 WeakPolarHBondContact CE-O 3.48Å; M190-A239 HydrophobicContact CE-CB 3.81Å
191F96.2Very high91.5Very high45 Ų4563.7 Ų63.720%0.19733%0.331CS..Hα-helixtrans-56.3-46.5175.4173.5-109.5000111.5S187 Y188 A193 E194 K195 S207 Y209 A212S187-F191 WeakPolarHBondContact O-CB 3.26Å; S187-F191 PolarHBondContact O-N 3.25Å; Y188-F191 PolarHBondContact O-N 3.46Å; F191-A193 VanDerWaalsContact C-N 3.29Å; F191-A193 PolarHBondContact O-N 2.91Å; F191-E194 PolarHBondContact O-N 2.76Å; F191-K195 HydrophobicContact CD2-CB 4.36Å; F191-K195 HydrophobicContact CE1-CD 4.4Å; F191-K195 HydrophobicContact CE2-CB 4.04Å; F191-K195 HydrophobicContact CZ-CB 4.28Å; F191-K195 HydrophobicContact CZ-CD 4.43Å; F191-K195 WeakPolarHBondContact O-CB 3.34Å; F191-K195 WeakPolarHBondContact O-CG 3.34Å; F191-K195 PolarHBondContact O-N 3.17Å; F191-S207 WeakPolarHBondContact CE2-O 3.09Å; F191-Y209 HydrophobicContact CB-CD2 4.33Å; F191-Y209 HydrophobicContact CG-CD2 4.5Å; F191-A212 HydrophobicContact CB-CB 3.7Å
192L95.4Very high90.5Very high70 Ų7066 Ų6637%0.36635%0.353SS..Hα-helixtrans-63.3-33.9178.6-71.8-177.2000113.3Y188 F189 M190Y188-L192 HydrophobicContact CD1-CD1 4.09Å; Y188-L192 HydrophobicContact CE1-CD1 3.46Å; Y188-L192 VanDerWaalsContact CE1-CD1 3.46Å; Y188-L192 HydrophobicContact CE1-CG 4.21Å; Y188-L192 HydrophobicContact CE2-CD1 4.48Å; Y188-L192 HydrophobicContact CE2-CG 4.48Å; Y188-L192 WeakPolarHBondContact O-CG 2.98Å; Y188-L192 PolarHBondContact O-N 2.83Å; F189-L192 PolarHBondContact O-N 2.93Å; M190-L192 VanDerWaalsContact C-N 3.32Å; M190-L192 PolarHBondContact O-N 2.93Å
193A95Very high89.6Confident21 Ų2169.7 Ų69.717%0.17437%0.367CS..Hα-helixtrans-77.8-33.4-178.900000113.5F189 M190 F191 V234 I238F189-A193 WeakPolarHBondContact O-CB 3.49Å; F189-A193 PolarHBondContact O-N 3Å; F189-A193 VanDerWaalsContact O-N 3.08Å; M190-A193 PolarHBondContact O-N 3.35Å; M190-A193 VanDerWaalsContact O-N 3.14Å; F191-A193 VanDerWaalsContact C-N 3.29Å; F191-A193 PolarHBondContact O-N 2.91Å; A193-V234 HydrophobicContact CB-CB 4.35Å; A193-V234 HydrophobicContact CB-CG1 3.98Å; A193-I238 HydrophobicContact CB-CD1 3.69Å
194E93.9Very high88.8Confident1 Ų172.3 Ų72.31%0.00538%0.384CS..Hα-helixtrans-105.1-18-171.8-65.6-66.6150.700114.3M190 F191 N196 V197 I206 P230 H231 S232 G235M190-E194 PolarHBondContact O-N 3.33Å; M190-E194 HydrophobicContact SD-CG 3.69Å; F191-E194 PolarHBondContact O-N 2.76Å; E194-N196 PolarHBondContact O-N 3.26Å; E194-V197 PolarHBondContact O-N 2.89Å; E194-I206 HydrophobicContact CB-CB 4.13Å; E194-I206 HydrophobicContact CB-CD1 4.29Å; E194-I206 HydrophobicContact CG-CD1 4.27Å; E194-P230 HydrophobicContact CG-CB 4.15Å; E194-P230 WeakPolarHBondContact OE1-CA 3.34Å; E194-P230 VanDerWaalsContact OE1-CB 3.28Å; E194-P230 WeakPolarHBondContact OE1-CB 3.33Å; E194-H231 VanDerWaalsContact CD-N 3.29Å; E194-H231 PolarHBondContact OE1-N 3.35Å; E194-H231 VanDerWaalsContact OE1-N 3.09Å; E194-H231 PolarHBondContact OE2-N 3.38Å; E194-S232 WeakPolarHBondContact OE1-CA 3.34Å; E194-S232 VanDerWaalsContact OE1-CB 3.22Å; E194-S232 WeakPolarHBondContact OE1-CB 3.35Å; E194-S232 PolarHBondContact OE1-N 2.79Å; E194-S232 PolarHBondContact OE2-N 3.03Å; E194-G235 WeakPolarHBondContact OE1-CA 3.35Å
195K90.8Very high88.2Confident88 Ų8871.3 Ų71.338%0.38338%0.378SS..THydrogen-bonded Turntrans-52.3-27.5-174.261.8172.9-174.1177.80115.8F191 H205F191-K195 HydrophobicContact CD2-CB 4.36Å; F191-K195 HydrophobicContact CE1-CD 4.4Å; F191-K195 HydrophobicContact CE2-CB 4.04Å; F191-K195 HydrophobicContact CZ-CB 4.28Å; F191-K195 HydrophobicContact CZ-CD 4.43Å; F191-K195 WeakPolarHBondContact O-CB 3.34Å; F191-K195 WeakPolarHBondContact O-CG 3.34Å; F191-K195 PolarHBondContact O-N 3.17Å; K195-H205 PolarHBondContact O-CE1 3.47Å
196N89.1Confident87.9Confident132 Ų13265.8 Ų65.871%0.70635%0.354SS*.THydrogen-bonded Turntrans-1114.1-175.5-65.3-21.7000113.2E194E194-N196 PolarHBondContact O-N 3.26Å
197V88.3Confident87.6Confident34 Ų3468.9 Ų68.921%0.20638%0.375CS..  trans-81.2124.3-175.4179.90000109.1E194 I199 H205 H231E194-V197 PolarHBondContact O-N 2.89Å; V197-I199 HydrophobicContact CG1-CG1 4.32Å; V197-I199 PolarHBondContact O-N 3.02Å; V197-H205 PolarHBondContact O-CD2 3.39Å; V197-H205 PolarHBondContact O-NE2 3.46Å; V197-H231 HydrophobicContact CG1-CB 3.99Å
198V83Confident87.5Confident144 Ų14472 Ų7287%0.87339%0.394SS*.  trans-80.6119.6175.2-176.50000108.5
199I80.4Confident87.4Confident22 Ų2270.4 Ų70.411%0.11339%0.387CS..  trans-109.1146.8-178.1-56.4170000107.8V197 Q203 H205 H231V197-I199 HydrophobicContact CG1-CG1 4.32Å; V197-I199 PolarHBondContact O-N 3.02Å; I199-Q203 HydrophobicContact CG2-CB 3.74Å; I199-H205 HydrophobicContact CD1-CB 4.26Å; I199-H205 VanDerWaalsContact CD1-CD2 3.41Å; I199-H205 WeakPolarHBondContact CD1-CD2 3.38Å; I199-H231 VanDerWaalsContact CD1-CD2 3.47Å; I199-H231 WeakPolarHBondContact CD1-CD2 3.45Å; I199-H231 HydrophobicContact CG1-CB 4.38Å
200P78.7Confident87.5Confident84 Ų8468 Ų6855%0.54539%0.388SS..  trans-58142.5170.321.1-32000112.3S202 Q203P200-S202 PolarHBondContact O-N 3.15Å; P200-Q203 PolarHBondContact O-N 3.23Å; P200-Q203 VanDerWaalsContact O-N 3.14Å
201D73.7Confident87.4Confident178 Ų17869.7 Ų69.795%0.95240%0.397SS*.THydrogen-bonded Turntrans-53-12.9-170.6-68-30.5000116.3
202S74Confident87.4Confident109 Ų10967.6 Ų67.676%0.76239%0.388SS*.THydrogen-bonded Turntrans-82-14.1-179.660.70000114.6P200P200-S202 PolarHBondContact O-N 3.15Å
203Q76.9Confident87.4Confident86 Ų8668 Ų6840%0.40239%0.389SS..SBendtrans-115.6144-175.3-62.9-170-72.500112.3I199 P200 H205 H231I199-Q203 HydrophobicContact CG2-CB 3.74Å; P200-Q203 PolarHBondContact O-N 3.23Å; P200-Q203 VanDerWaalsContact O-N 3.14Å; Q203-H205 PolarHBondContact O-N 3.16Å; Q203-H231 PolarHBondContact OE1-CE1 3.13Å; Q203-H231 PolarHBondContact OE1-NE2 3.28Å
204V79.6Confident87.4Confident82 Ų8272.3 Ų72.350%0.49740%0.4SS..  trans-73.3123.2-176.7-175.40000109.5M228V204-M228 HydrophobicContact CB-CG 4.38Å; V204-M228 HydrophobicContact CG1-CE 3.81Å; V204-M228 HydrophobicContact CG1-CG 4.35Å
205H83.1Confident87.5Confident54 Ų5472.8 Ų72.825%0.2540%0.402CS..  trans-77.3139.6-179.4-170.2-83.5000112.1K195 V197 I199 Q203 S207K195-H205 PolarHBondContact O-CE1 3.47Å; V197-H205 PolarHBondContact O-CD2 3.39Å; V197-H205 PolarHBondContact O-NE2 3.46Å; I199-H205 HydrophobicContact CD1-CB 4.26Å; I199-H205 VanDerWaalsContact CD1-CD2 3.41Å; I199-H205 WeakPolarHBondContact CD1-CD2 3.38Å; Q203-H205 PolarHBondContact O-N 3.16Å; H205-S207 WeakPolarHBondContact ND1-CA 3.46Å; H205-S207 PolarHBondContact ND1-N 2.86Å; H205-S207 PolarHBondContact O-N 3.25Å
206I90Very high87.8Confident1 Ų168.6 Ų68.61%0.00538%0.384CS..  trans-79.478.3170.7-57.2178.5000108.2M190 E194 D211 A212 M228M190-I206 HydrophobicContact CG-CD1 4.28Å; E194-I206 HydrophobicContact CB-CB 4.13Å; E194-I206 HydrophobicContact CB-CD1 4.29Å; E194-I206 HydrophobicContact CG-CD1 4.27Å; I206-D211 HydrophobicContact CG2-CB 4.27Å; I206-A212 HydrophobicContact CG2-CB 3.7Å; I206-M228 HydrophobicContact CG1-CB 4.33Å
207S87.4Confident88.1Confident72 Ų7264.3 Ų64.350%0.50336%0.362SS..  trans-91.1-33.8-171.470.80000112.9F191 H205 D211F191-S207 WeakPolarHBondContact CE2-O 3.09Å; H205-S207 WeakPolarHBondContact ND1-CA 3.46Å; H205-S207 PolarHBondContact ND1-N 2.86Å; H205-S207 PolarHBondContact O-N 3.25Å; S207-D211 PolarHBondContact N-OD2 2.9Å; S207-D211 PolarHBondContact OG-OD2 3.02Å; S207-D211 VanDerWaalsContact OG-OD2 3.07Å
208T93.7Very high88.4Confident65 Ų6562.9 Ų62.940%0.39935%0.354SS..SBendtrans-114.9158.9-17970.50000111.4A210 D211 A212T208-A210 PolarHBondContact O-N 2.87Å; T208-A210 PolarHBondContact OG1-N 3.05Å; T208-D211 PolarHBondContact N-OD2 2.81Å; T208-D211 WeakPolarHBondContact O-CB 3.32Å; T208-D211 PolarHBondContact O-N 2.9Å; T208-D211 VanDerWaalsContact O-N 3.15Å; T208-D211 PolarHBondContact OG1-N 2.82Å; T208-D211 PolarHBondContact OG1-OD1 3.24Å; T208-D211 PolarHBondContact OG1-OD2 3.08Å; T208-A212 PolarHBondContact O-N 3.4Å
209Y95.7Very high89Confident81 Ų8157.8 Ų57.832%0.31832%0.323SS..Hα-helixtrans-59.6-29.4171.8177-101.5000112.2I184 Y188 F191 A212 M213I184-Y209 PolarHBondContact O-OH 3.08Å; Y188-Y209 HydrophobicContact CD2-CE2 4.37Å; F191-Y209 HydrophobicContact CB-CD2 4.33Å; F191-Y209 HydrophobicContact CG-CD2 4.5Å; Y209-A212 PolarHBondContact O-N 2.86Å; Y209-M213 WeakPolarHBondContact O-CB 3.42Å; Y209-M213 PolarHBondContact O-N 2.93Å
210A96Very high89.7Confident59 Ų5956.7 Ų56.749%0.48832%0.318SS..Hα-helixtrans-66-38.4176.500000112.1T208 M213 W214T208-A210 PolarHBondContact O-N 2.87Å; T208-A210 PolarHBondContact OG1-N 3.05Å; A210-M213 PolarHBondContact O-N 3.44Å; A210-W214 PolarHBondContact O-N 3.25Å
211D94.9Very high90.5Very high36 Ų3657.5 Ų57.519%0.19331%0.313CS..Hα-helixtrans-64.3-43.8175.5-55.9-35.4000110.8I206 S207 T208 M213 W214 W215 M228I206-D211 HydrophobicContact CG2-CB 4.27Å; S207-D211 PolarHBondContact N-OD2 2.9Å; S207-D211 PolarHBondContact OG-OD2 3.02Å; S207-D211 VanDerWaalsContact OG-OD2 3.07Å; T208-D211 PolarHBondContact N-OD2 2.81Å; T208-D211 WeakPolarHBondContact O-CB 3.32Å; T208-D211 PolarHBondContact O-N 2.9Å; T208-D211 VanDerWaalsContact O-N 3.15Å; T208-D211 PolarHBondContact OG1-N 2.82Å; T208-D211 PolarHBondContact OG1-OD1 3.24Å; T208-D211 PolarHBondContact OG1-OD2 3.08Å; D211-M213 VanDerWaalsContact C-N 3.28Å; D211-M213 PolarHBondContact O-N 2.72Å; D211-W214 WeakPolarHBondContact O-CB 3.46Å; D211-W214 PolarHBondContact O-N 3.28Å; D211-W215 PolarHBondContact O-N 3.4Å; D211-M228 HydrophobicContact CB-CE 3.95Å; D211-M228 HydrophobicContact CB-SD 3.79Å
212A95.6Very high91.5Very high0 Ų053.2 Ų53.20%029%0.294CS..Hα-helixtrans-64.2-35.1175.500000112.1S187 F191 I206 T208 Y209 W215 G216S187-A212 WeakPolarHBondContact O-CB 3.34Å; F191-A212 HydrophobicContact CB-CB 3.7Å; I206-A212 HydrophobicContact CG2-CB 3.7Å; T208-A212 PolarHBondContact O-N 3.4Å; Y209-A212 PolarHBondContact O-N 2.86Å; A212-W215 PolarHBondContact O-N 2.97Å; A212-G216 PolarHBondContact O-N 3.28Å
213M95.9Very high92.6Very high79 Ų7952.4 Ų52.439%0.38928%0.279SS..Hα-helixtrans-68.5-39174.7-167177.669.700112L183 S187 Y209 A210 D211 G216 V217L183-M213 HydrophobicContact CD2-CG 4.39Å; L183-M213 HydrophobicContact CG-CG 4.4Å; S187-M213 WeakPolarHBondContact OG-CA 3.25Å; Y209-M213 WeakPolarHBondContact O-CB 3.42Å; Y209-M213 PolarHBondContact O-N 2.93Å; A210-M213 PolarHBondContact O-N 3.44Å; D211-M213 VanDerWaalsContact C-N 3.28Å; D211-M213 PolarHBondContact O-N 2.72Å; M213-G216 PolarHBondContact O-N 2.95Å; M213-V217 WeakPolarHBondContact O-CG2 3.44Å; M213-V217 PolarHBondContact O-N 3.43Å
214W96Very high93.4Very high111 Ų11151 Ų5142%0.4229%0.288SS..Hα-helixtrans-61-46.6172.7172.3-110.8000111.7A210 D211 G216 V217 A218 F225 D227A210-W214 PolarHBondContact O-N 3.25Å; D211-W214 WeakPolarHBondContact O-CB 3.46Å; D211-W214 PolarHBondContact O-N 3.28Å; W214-G216 VanDerWaalsContact C-N 3.3Å; W214-G216 PolarHBondContact O-N 3.31Å; W214-V217 PolarHBondContact O-N 3.35Å; W214-A218 WeakPolarHBondContact O-CB 3.44Å; W214-A218 PolarHBondContact O-N 3.05Å; W214-F225 HydrophobicContact CH2-CD2 4.34Å; W214-F225 AromaticContact CH2-CE2 3.88Å; W214-F225 HydrophobicContact CH2-CE2 3.88Å; W214-F225 AromaticContact CZ2-CD2 3.79Å; W214-F225 HydrophobicContact CZ2-CD2 3.79Å; W214-F225 AromaticContact CZ2-CE2 3.79Å; W214-F225 HydrophobicContact CZ2-CE2 3.79Å; W214-D227 PolarHBondContact NE1-OD2 3.04Å
215W95.5Very high94Very high11 Ų1153.1 Ų53.14%0.04229%0.291CS..Hα-helixtrans-54.7-46.5171.6167.179.6000111.7M190 D211 A212 V217 A218 T219 F220 M228 A239M190-W215 HydrophobicContact CB-CE3 3.78Å; M190-W215 HydrophobicContact CB-CH2 4.46Å; M190-W215 HydrophobicContact CB-CZ3 3.65Å; M190-W215 HydrophobicContact CE-CD2 4Å; M190-W215 HydrophobicContact CE-CE3 3.97Å; M190-W215 HydrophobicContact CE-CH2 3.23Å; M190-W215 HydrophobicContact CE-CZ2 3.23Å; M190-W215 HydrophobicContact CE-CZ3 3.6Å; M190-W215 HydrophobicContact CG-CD2 4Å; M190-W215 HydrophobicContact CG-CE3 3.58Å; M190-W215 HydrophobicContact CG-CH2 4.43Å; M190-W215 HydrophobicContact CG-CZ3 3.81Å; D211-W215 PolarHBondContact O-N 3.4Å; A212-W215 PolarHBondContact O-N 2.97Å; W215-V217 PolarHBondContact O-N 2.79Å; W215-A218 PolarHBondContact O-N 3.07Å; W215-T219 HydrophobicContact CZ2-CG2 4.07Å; W215-T219 PolarHBondContact NE1-OG1 3.04Å; W215-T219 VanDerWaalsContact O-CB 3.24Å; W215-T219 WeakPolarHBondContact O-CB 3.29Å; W215-T219 PolarHBondContact O-N 3.4Å; W215-T219 PolarHBondContact O-OG1 3.22Å; W215-F220 HydrophobicContact CH2-CZ 4.45Å; W215-F220 HydrophobicContact CZ3-CZ 4.34Å; W215-M228 HydrophobicContact CB-CB 4.42Å; W215-M228 VanDerWaalsContact CD1-O 3.31Å; W215-A239 HydrophobicContact CH2-CB 4.18Å; W215-A239 HydrophobicContact CZ2-CB 3.66Å
216G95.5Very high94.4Very high0 Ų052.9 Ų52.90%030%0.303CS..Hα-helixtrans-60.1-45.4178.800000112.4A212 M213 W214 T219 F220A212-G216 PolarHBondContact O-N 3.28Å; M213-G216 PolarHBondContact O-N 2.95Å; W214-G216 VanDerWaalsContact C-N 3.3Å; W214-G216 PolarHBondContact O-N 3.31Å; G216-T219 PolarHBondContact O-N 3.05Å; G216-F220 WeakPolarHBondContact O-CB 3.4Å; G216-F220 WeakPolarHBondContact O-CD2 3.15Å; G216-F220 WeakPolarHBondContact O-CG 3.43Å; G216-F220 PolarHBondContact O-N 3.49Å
217V95.9Very high94.5Very high42 Ų4256 Ų5626%0.25532%0.319SS..Hα-helixtrans-62.5-50.31761730000110.9L183 M213 W214 W215 T219 F221L183-V217 HydrophobicContact CD1-CG2 3.88Å; L183-V217 HydrophobicContact CD2-CG2 3.84Å; M213-V217 WeakPolarHBondContact O-CG2 3.44Å; M213-V217 PolarHBondContact O-N 3.43Å; W214-V217 PolarHBondContact O-N 3.35Å; W215-V217 PolarHBondContact O-N 2.79Å; V217-T219 PolarHBondContact O-N 2.9Å; V217-F221 HydrophobicContact CG1-CD2 3.9Å; V217-F221 HydrophobicContact CG1-CE2 4.24Å; V217-F221 WeakPolarHBondContact O-CB 3.33Å; V217-F221 WeakPolarHBondContact O-CD2 3.41Å; V217-F221 PolarHBondContact O-N 3.33Å
218A95.4Very high94.6Very high4 Ų453.5 Ų53.53%0.03330%0.3CS..Hα-helixtrans-61.8-33.8-179.500000112.5W214 W215 I223 G224 F225W214-A218 WeakPolarHBondContact O-CB 3.44Å; W214-A218 PolarHBondContact O-N 3.05Å; W215-A218 PolarHBondContact O-N 3.07Å; A218-I223 PolarHBondContact O-N 3.32Å; A218-G224 PolarHBondContact O-N 2.88Å; A218-F225 HydrophobicContact CB-CD2 4.15Å
219T95Very high94.6Very high37 Ų3753.3 Ų53.323%0.22730%0.299CS..Hα-helixtrans-80.8-49.5-179.2-56.70000112.4W215 G216 V217 F221 T222W215-T219 HydrophobicContact CZ2-CG2 4.07Å; W215-T219 PolarHBondContact NE1-OG1 3.04Å; W215-T219 VanDerWaalsContact O-CB 3.24Å; W215-T219 WeakPolarHBondContact O-CB 3.29Å; W215-T219 PolarHBondContact O-N 3.4Å; W215-T219 PolarHBondContact O-OG1 3.22Å; G216-T219 PolarHBondContact O-N 3.05Å; V217-T219 PolarHBondContact O-N 2.9Å; T219-F221 PolarHBondContact O-N 3.49Å; T219-T222 WeakPolarHBondContact O-CA 3.15Å; T219-T222 PolarHBondContact O-N 3.15Å
220F95.7Very high94.5Very high0 Ų049.8 Ų49.80%029%0.286CS..Hα-helixtrans-72-27.9-175-57.4-31.6000113.2L183 W215 G216 T222 L246 F250L183-F220 HydrophobicContact CD1-CD2 3.81Å; L183-F220 HydrophobicContact CD1-CE2 3.98Å; W215-F220 HydrophobicContact CH2-CZ 4.45Å; W215-F220 HydrophobicContact CZ3-CZ 4.34Å; G216-F220 WeakPolarHBondContact O-CB 3.4Å; G216-F220 WeakPolarHBondContact O-CD2 3.15Å; G216-F220 WeakPolarHBondContact O-CG 3.43Å; G216-F220 PolarHBondContact O-N 3.49Å; F220-T222 PolarHBondContact O-N 2.96Å; F220-L246 HydrophobicContact CD1-CB 3.97Å; F220-L246 HydrophobicContact CD1-CD1 4.38Å; F220-L246 HydrophobicContact CD2-CD1 4.25Å; F220-L246 HydrophobicContact CE1-CB 4.1Å; F220-L246 HydrophobicContact CE1-CD1 3.81Å; F220-L246 HydrophobicContact CE2-CD1 3.66Å; F220-L246 HydrophobicContact CG-CB 4.25Å; F220-L246 HydrophobicContact CZ-CB 4.49Å; F220-L246 HydrophobicContact CZ-CD1 3.43Å; F220-L246 VanDerWaalsContact CZ-CD1 3.43Å; F220-F250 HydrophobicContact CB-CD1 4.12Å; F220-F250 HydrophobicContact CB-CD2 3.72Å; F220-F250 HydrophobicContact CB-CE1 4.19Å; F220-F250 HydrophobicContact CB-CE2 3.77Å; F220-F250 HydrophobicContact CB-CG 3.9Å; F220-F250 HydrophobicContact CB-CZ 4.02Å; F220-F250 AromaticContact CD2-CE2 3.93Å; F220-F250 HydrophobicContact CD2-CE2 3.93Å; F220-F250 HydrophobicContact CD2-CZ 4.12Å; F220-F250 HydrophobicContact CG-CD2 4.39Å; F220-F250 HydrophobicContact CG-CE2 4.12Å
221F95Very high94.2Very high101 Ų10149.6 Ų49.644%0.44328%0.275SS..THydrogen-bonded Turntrans-80.34.3167.4-78-74.5000113.6V217 T219 I223 F250V217-F221 HydrophobicContact CG1-CD2 3.9Å; V217-F221 HydrophobicContact CG1-CE2 4.24Å; V217-F221 WeakPolarHBondContact O-CB 3.33Å; V217-F221 WeakPolarHBondContact O-CD2 3.41Å; V217-F221 PolarHBondContact O-N 3.33Å; T219-F221 PolarHBondContact O-N 3.49Å; F221-I223 HydrophobicContact CB-CD1 4.04Å; F221-I223 HydrophobicContact CB-CG1 3.92Å; F221-I223 PolarHBondContact O-N 3.4Å; F221-F250 HydrophobicContact CD1-CD1 4.21Å; F221-F250 HydrophobicContact CD2-CD1 4.01Å; F221-F250 HydrophobicContact CD2-CE1 4.1Å; F221-F250 AromaticContact CE1-CD1 3.91Å; F221-F250 HydrophobicContact CE1-CD1 3.91Å; F221-F250 AromaticContact CE2-CD1 3.7Å; F221-F250 HydrophobicContact CE2-CD1 3.7Å; F221-F250 AromaticContact CE2-CE1 3.58Å; F221-F250 HydrophobicContact CE2-CE1 3.58Å; F221-F250 HydrophobicContact CG-CD1 4.26Å; F221-F250 AromaticContact CZ-CD1 3.65Å; F221-F250 HydrophobicContact CZ-CD1 3.65Å; F221-F250 AromaticContact CZ-CE1 3.84Å; F221-F250 HydrophobicContact CZ-CE1 3.84Å
222T95.7Very high94.2Very high88 Ų8849.1 Ų49.154%0.5427%0.274SS..THydrogen-bonded Turntrans55.932.3179.5590000113.2T219 F220 V247 Q251T219-T222 WeakPolarHBondContact O-CA 3.15Å; T219-T222 PolarHBondContact O-N 3.15Å; F220-T222 PolarHBondContact O-N 2.96Å; T222-V247 HydrophobicContact CG2-CG1 3.48Å; T222-V247 VanDerWaalsContact CG2-CG1 3.48Å; T222-V247 HydrophobicContact CG2-CG2 4.22Å; T222-Q251 PolarHBondContact OG1-NE2 3.43Å
223I95.9Very high94.1Very high91 Ų9158.8 Ų58.847%0.46731%0.311SS..  trans-79.5-52.2176.3-56172.3000109.4A218 F221 F225A218-I223 PolarHBondContact O-N 3.32Å; F221-I223 HydrophobicContact CB-CD1 4.04Å; F221-I223 HydrophobicContact CB-CG1 3.92Å; F221-I223 PolarHBondContact O-N 3.4Å; I223-F225 HydrophobicContact CB-CE2 4.45Å; I223-F225 HydrophobicContact CD1-CE2 4.5Å; I223-F225 HydrophobicContact CG2-CD1 4.07Å; I223-F225 HydrophobicContact CG2-CD2 3.93Å; I223-F225 HydrophobicContact CG2-CE1 3.72Å; I223-F225 HydrophobicContact CG2-CE2 3.57Å; I223-F225 HydrophobicContact CG2-CG 4.17Å; I223-F225 HydrophobicContact CG2-CZ 3.46Å; I223-F225 VanDerWaalsContact CG2-CZ 3.46Å
224G93.3Very high94.1Very high56 Ų5657.5 Ų57.558%0.57731%0.307SS*.  trans62.954.6172.700000114.9A218 G226A218-G224 PolarHBondContact O-N 2.88Å; G224-G226 PolarHBondContact O-N 3.4Å
225F93.5Very high94.1Very high128 Ų12852.2 Ų52.256%0.56129%0.287SS*.  trans-58.7-32.4178.1-68.5-62.9000113.8W214 A218 I223 D227W214-F225 HydrophobicContact CH2-CD2 4.34Å; W214-F225 AromaticContact CH2-CE2 3.88Å; W214-F225 HydrophobicContact CH2-CE2 3.88Å; W214-F225 AromaticContact CZ2-CD2 3.79Å; W214-F225 HydrophobicContact CZ2-CD2 3.79Å; W214-F225 AromaticContact CZ2-CE2 3.79Å; W214-F225 HydrophobicContact CZ2-CE2 3.79Å; A218-F225 HydrophobicContact CB-CD2 4.15Å; I223-F225 HydrophobicContact CB-CE2 4.45Å; I223-F225 HydrophobicContact CD1-CE2 4.5Å; I223-F225 HydrophobicContact CG2-CD1 4.07Å; I223-F225 HydrophobicContact CG2-CD2 3.93Å; I223-F225 HydrophobicContact CG2-CE1 3.72Å; I223-F225 HydrophobicContact CG2-CE2 3.57Å; I223-F225 HydrophobicContact CG2-CG 4.17Å; I223-F225 HydrophobicContact CG2-CZ 3.46Å; I223-F225 VanDerWaalsContact CG2-CZ 3.46Å; F225-D227 VanDerWaalsContact C-N 3.31Å
226G91.2Very high94.1Very high48 Ų4856.8 Ų56.850%0.49531%0.307SS..  trans79.210.9179.400000114.7G224G224-G226 PolarHBondContact O-N 3.4Å
227D91.3Very high94.1Very high66 Ų6658.8 Ų58.835%0.35332%0.323SS..SBendtrans-72.7-36.1175.558.8-30.2000112.9W214 F225W214-D227 PolarHBondContact NE1-OD2 3.04Å; F225-D227 VanDerWaalsContact C-N 3.31Å
228M90.6Very high94.1Very high21 Ų2158.5 Ų58.510%0.10332%0.32CS..SBendtrans-125.1124.4173-61.9-178.7-173.800109.7V204 I206 D211 W215V204-M228 HydrophobicContact CB-CG 4.38Å; V204-M228 HydrophobicContact CG1-CE 3.81Å; V204-M228 HydrophobicContact CG1-CG 4.35Å; I206-M228 HydrophobicContact CG1-CB 4.33Å; D211-M228 HydrophobicContact CB-CE 3.95Å; D211-M228 HydrophobicContact CB-SD 3.79Å; W215-M228 HydrophobicContact CB-CB 4.42Å; W215-M228 VanDerWaalsContact CD1-O 3.31Å
229V92.8Very high94.1Very high61 Ų6159 Ų5937%0.3733%0.325SS..  trans-138.9140.4-177-178.40000108.8H231V229-H231 PolarHBondContact O-CD2 3.41Å; V229-H231 PolarHBondContact O-N 3.36Å; V229-H231 PolarHBondContact O-NE2 3.46Å
230P93.2Very high94.1Very high7 Ų761.2 Ų61.25%0.04534%0.341CS..  trans-64.6129.4173.225.4-34.8000111.7M190 E194 G235 K236 A239M190-P230 HydrophobicContact CE-CB 3.81Å; M190-P230 HydrophobicContact CE-CG 3.81Å; M190-P230 HydrophobicContact SD-CB 3.76Å; M190-P230 HydrophobicContact SD-CG 4.4Å; E194-P230 HydrophobicContact CG-CB 4.15Å; E194-P230 WeakPolarHBondContact OE1-CA 3.34Å; E194-P230 VanDerWaalsContact OE1-CB 3.28Å; E194-P230 WeakPolarHBondContact OE1-CB 3.33Å; P230-G235 VanDerWaalsContact CB-C 3.46Å; P230-K236 HydrophobicContact CB-CG 4.28Å; P230-K236 HydrophobicContact CG-CG 4.13Å; P230-K236 WeakPolarHBondContact O-CE 3.35Å; P230-K236 WeakPolarHBondContact O-CG 3.47Å; P230-A239 HydrophobicContact CG-CB 4.02Å
231H91.7Very high94.1Very high55 Ų5567 Ų6726%0.25537%0.37SS..  trans-96.4-35.5177.6-75.3-78.1000112.1E194 V197 I199 Q203 V229 K236E194-H231 VanDerWaalsContact CD-N 3.29Å; E194-H231 PolarHBondContact OE1-N 3.35Å; E194-H231 VanDerWaalsContact OE1-N 3.09Å; E194-H231 PolarHBondContact OE2-N 3.38Å; V197-H231 HydrophobicContact CG1-CB 3.99Å; I199-H231 VanDerWaalsContact CD1-CD2 3.47Å; I199-H231 WeakPolarHBondContact CD1-CD2 3.45Å; I199-H231 HydrophobicContact CG1-CB 4.38Å; Q203-H231 PolarHBondContact OE1-CE1 3.13Å; Q203-H231 PolarHBondContact OE1-NE2 3.28Å; V229-H231 PolarHBondContact O-CD2 3.41Å; V229-H231 PolarHBondContact O-N 3.36Å; V229-H231 PolarHBondContact O-NE2 3.46Å; H231-K236 PolarHBondContact O-NZ 3.22Å
232S93.7Very high94.1Very high26 Ų2662.6 Ų62.618%0.18235%0.352CS..SBendtrans-66.4147.3176.5-179.90000111.5E194 V234 G235 K236E194-S232 WeakPolarHBondContact OE1-CA 3.34Å; E194-S232 VanDerWaalsContact OE1-CB 3.22Å; E194-S232 WeakPolarHBondContact OE1-CB 3.35Å; E194-S232 PolarHBondContact OE1-N 2.79Å; E194-S232 PolarHBondContact OE2-N 3.03Å; S232-V234 PolarHBondContact O-N 3.21Å; S232-V234 PolarHBondContact OG-N 3.29Å; S232-G235 PolarHBondContact O-N 3.4Å; S232-K236 WeakPolarHBondContact O-CG 3.18Å; S232-K236 PolarHBondContact O-N 2.71Å
233W94.4Very high93.9Very high203 Ų20360.1 Ų60.177%0.76934%0.34SS*.Hα-helixtrans-60.6-33.6172.272.2-90.8000111.4A237W233-A237 WeakPolarHBondContact O-CB 3.13Å; W233-A237 PolarHBondContact O-N 3.16Å
234V95.6Very high93.8Very high51 Ų5163 Ų6331%0.30936%0.356SS..Hα-helixtrans-66.7-46.9176.4-177.20000110.3A193 S232 K236 A237 I238A193-V234 HydrophobicContact CB-CB 4.35Å; A193-V234 HydrophobicContact CB-CG1 3.98Å; S232-V234 PolarHBondContact O-N 3.21Å; S232-V234 PolarHBondContact OG-N 3.29Å; V234-K236 PolarHBondContact O-N 3.32Å; V234-A237 PolarHBondContact O-N 3.35Å; V234-I238 HydrophobicContact CG1-CD1 3.87Å; V234-I238 WeakPolarHBondContact O-CG1 3.18Å; V234-I238 PolarHBondContact O-N 2.96Å
235G95.2Very high93.7Very high0 Ų062.7 Ų62.70%035%0.348CS..Hα-helixtrans-61.6-43.9176.900000111.6M190 E194 P230 S232 A237 I238 A239M190-G235 WeakPolarHBondContact CE-O 3.48Å; E194-G235 WeakPolarHBondContact OE1-CA 3.35Å; P230-G235 VanDerWaalsContact CB-C 3.46Å; S232-G235 PolarHBondContact O-N 3.4Å; G235-A237 PolarHBondContact O-N 3.47Å; G235-I238 PolarHBondContact O-N 3.21Å; G235-A239 WeakPolarHBondContact O-CB 3Å; G235-A239 PolarHBondContact O-N 2.78Å
236K95.6Very high93.7Very high108 Ų10857.7 Ų57.747%0.4733%0.327SS..Hα-helixtrans-60.2-42.6174.6-71.7172.5-180167.60112.4P230 H231 S232 V234 A239 C240P230-K236 HydrophobicContact CB-CG 4.28Å; P230-K236 HydrophobicContact CG-CG 4.13Å; P230-K236 WeakPolarHBondContact O-CE 3.35Å; P230-K236 WeakPolarHBondContact O-CG 3.47Å; H231-K236 PolarHBondContact O-NZ 3.22Å; S232-K236 WeakPolarHBondContact O-CG 3.18Å; S232-K236 PolarHBondContact O-N 2.71Å; V234-K236 PolarHBondContact O-N 3.32Å; K236-A239 WeakPolarHBondContact O-CB 3.49Å; K236-A239 PolarHBondContact O-N 2.98Å; K236-C240 PolarHBondContact O-N 3.23Å; K236-C240 PolarHBondContact O-SG 3.19Å
237A96.9Very high93.9Very high41 Ų4157 Ų5734%0.33931%0.313SS..Hα-helixtrans-63.1-44.1175.700000112W233 V234 G235 A239 C240 I241W233-A237 WeakPolarHBondContact O-CB 3.13Å; W233-A237 PolarHBondContact O-N 3.16Å; V234-A237 PolarHBondContact O-N 3.35Å; G235-A237 PolarHBondContact O-N 3.47Å; A237-A239 VanDerWaalsContact C-N 3.34Å; A237-A239 PolarHBondContact O-N 3.3Å; A237-C240 PolarHBondContact O-N 3.48Å; A237-I241 WeakPolarHBondContact O-CG1 3.44Å; A237-I241 PolarHBondContact O-N 3.45Å
238I95.7Very high94Very high36 Ų3656.8 Ų56.819%0.18532%0.32CS..Hα-helixtrans-61.6-42.5175.1-68.6162.1000110.6F189 A193 V234 G235 I241 S242F189-I238 HydrophobicContact CB-CD1 4.18Å; F189-I238 HydrophobicContact CB-CG2 3.97Å; A193-I238 HydrophobicContact CB-CD1 3.69Å; V234-I238 HydrophobicContact CG1-CD1 3.87Å; V234-I238 WeakPolarHBondContact O-CG1 3.18Å; V234-I238 PolarHBondContact O-N 2.96Å; G235-I238 PolarHBondContact O-N 3.21Å; I238-I241 PolarHBondContact O-N 2.89Å; I238-S242 WeakPolarHBondContact O-CB 3.17Å; I238-S242 PolarHBondContact O-N 2.82Å; I238-S242 PolarHBondContact O-OG 3.21Å
239A95.6Very high94.1Very high16 Ų1659.3 Ų59.313%0.13233%0.331CS..Hα-helixtrans-59.5-46.2175.100000111.8M190 W215 P230 G235 K236 A237 S242 A243M190-A239 HydrophobicContact CE-CB 3.81Å; W215-A239 HydrophobicContact CH2-CB 4.18Å; W215-A239 HydrophobicContact CZ2-CB 3.66Å; P230-A239 HydrophobicContact CG-CB 4.02Å; G235-A239 WeakPolarHBondContact O-CB 3Å; G235-A239 PolarHBondContact O-N 2.78Å; K236-A239 WeakPolarHBondContact O-CB 3.49Å; K236-A239 PolarHBondContact O-N 2.98Å; A237-A239 VanDerWaalsContact C-N 3.34Å; A237-A239 PolarHBondContact O-N 3.3Å; A239-S242 WeakPolarHBondContact CA-OG 3.27Å; A239-S242 PolarHBondContact O-OG 2.97Å; A239-S242 VanDerWaalsContact O-OG 3.09Å; A239-A243 WeakPolarHBondContact O-CB 3.45Å; A239-A243 PolarHBondContact O-N 3.3Å
240C95Very high94.1Very high83 Ų8357.5 Ų57.556%0.56132%0.318SS*.Hα-helixtrans-62.6-46.6178.5-680000112.2K236 A237 A243 L244K236-C240 PolarHBondContact O-N 3.23Å; K236-C240 PolarHBondContact O-SG 3.19Å; A237-C240 PolarHBondContact O-N 3.48Å; C240-A243 PolarHBondContact O-N 3.05Å; C240-L244 WeakPolarHBondContact O-CG 3.17Å; C240-L244 PolarHBondContact O-N 3.29Å; C240-L244 VanDerWaalsContact O-N 3.13Å
241I94.9Very high94.1Very high120 Ų12061.1 Ų61.162%0.61534%0.335SS*.Hα-helixtrans-65.6-47.4-179.8-66167.1000110.6A237 I238 A243 L244 A245A237-I241 WeakPolarHBondContact O-CG1 3.44Å; A237-I241 PolarHBondContact O-N 3.45Å; I238-I241 PolarHBondContact O-N 2.89Å; I241-A243 VanDerWaalsContact C-N 3.34Å; I241-A243 PolarHBondContact O-N 3.41Å; I241-L244 PolarHBondContact O-N 3.22Å; I241-A245 WeakPolarHBondContact O-CB 3.41Å; I241-A245 PolarHBondContact O-N 3.1Å
242S93.9Very high94.2Very high10 Ų1061.9 Ų61.97%0.0734%0.34CS..Hα-helixtrans-65.3-36.5179.161.10000112.1I238 A239 A245 L246I238-S242 WeakPolarHBondContact O-CB 3.17Å; I238-S242 PolarHBondContact O-N 2.82Å; I238-S242 PolarHBondContact O-OG 3.21Å; A239-S242 WeakPolarHBondContact CA-OG 3.27Å; A239-S242 PolarHBondContact O-OG 2.97Å; A239-S242 VanDerWaalsContact O-OG 3.09Å; S242-A245 PolarHBondContact O-N 3.05Å; S242-L246 WeakPolarHBondContact O-CA 3.49Å; S242-L246 WeakPolarHBondContact O-CB 3.49Å; S242-L246 WeakPolarHBondContact O-CG 3.35Å; S242-L246 PolarHBondContact O-N 3.04Å
243A92.8Very high94Very high35 Ų3562 Ų6229%0.28934%0.341SS..Hα-helixtrans-62.7-46.617500000111.7A239 C240 I241 A245 V247A239-A243 WeakPolarHBondContact O-CB 3.45Å; A239-A243 PolarHBondContact O-N 3.3Å; C240-A243 PolarHBondContact O-N 3.05Å; I241-A243 VanDerWaalsContact C-N 3.34Å; I241-A243 PolarHBondContact O-N 3.41Å; A243-A245 VanDerWaalsContact C-N 3.35Å; A243-A245 PolarHBondContact O-N 3.27Å; A243-V247 HydrophobicContact CB-CG2 4.35Å; A243-V247 WeakPolarHBondContact O-CB 3.43Å; A243-V247 WeakPolarHBondContact O-CG2 3.45Å; A243-V247 PolarHBondContact O-N 2.94Å
244L92.4Very high93.8Very high153 Ų15355.5 Ų55.580%0.80133%0.33SS*.Hα-helixtrans-64-39.5177.7-70.8173.4000112.4C240 I241C240-L244 WeakPolarHBondContact O-CG 3.17Å; C240-L244 PolarHBondContact O-N 3.29Å; C240-L244 VanDerWaalsContact O-N 3.13Å; I241-L244 PolarHBondContact O-N 3.22Å
245A92.3Very high93.6Very high49 Ų4955.2 Ų55.241%0.40534%0.337SS..Hα-helixtrans-80-45.7-176.700000113.2I241 S242 A243 F249I241-A245 WeakPolarHBondContact O-CB 3.41Å; I241-A245 PolarHBondContact O-N 3.1Å; S242-A245 PolarHBondContact O-N 3.05Å; A243-A245 VanDerWaalsContact C-N 3.35Å; A243-A245 PolarHBondContact O-N 3.27Å; A245-F249 WeakPolarHBondContact O-CD2 3.14Å; A245-F249 WeakPolarHBondContact O-CE2 3.13Å
246L94.3Very high93.3Very high22 Ų2256.4 Ų56.412%0.11534%0.343CS..Hα-helixtrans-95.7-32.4-164.7-61178.9000113.7G182 F220 S242 A248 F249 F250G182-L246 WeakPolarHBondContact O-CD1 3.24Å; F220-L246 HydrophobicContact CD1-CB 3.97Å; F220-L246 HydrophobicContact CD1-CD1 4.38Å; F220-L246 HydrophobicContact CD2-CD1 4.25Å; F220-L246 HydrophobicContact CE1-CB 4.1Å; F220-L246 HydrophobicContact CE1-CD1 3.81Å; F220-L246 HydrophobicContact CE2-CD1 3.66Å; F220-L246 HydrophobicContact CG-CB 4.25Å; F220-L246 HydrophobicContact CZ-CB 4.49Å; F220-L246 HydrophobicContact CZ-CD1 3.43Å; F220-L246 VanDerWaalsContact CZ-CD1 3.43Å; S242-L246 WeakPolarHBondContact O-CA 3.49Å; S242-L246 WeakPolarHBondContact O-CB 3.49Å; S242-L246 WeakPolarHBondContact O-CG 3.35Å; S242-L246 PolarHBondContact O-N 3.04Å; L246-A248 PolarHBondContact O-N 2.7Å; L246-F249 PolarHBondContact O-N 2.92Å; L246-F250 WeakPolarHBondContact O-CD2 3.27Å; L246-F250 PolarHBondContact O-N 3.29Å; L246-F250 VanDerWaalsContact O-N 3.16Å
247V94.7Very high92.9Very high33 Ų3354.1 Ų54.120%0.234%0.336CS..Hα-helixtrans-56.8-40.4-178.1171.10000110.9T222 A243 F249 F250 Q251T222-V247 HydrophobicContact CG2-CG1 3.48Å; T222-V247 VanDerWaalsContact CG2-CG1 3.48Å; T222-V247 HydrophobicContact CG2-CG2 4.22Å; A243-V247 HydrophobicContact CB-CG2 4.35Å; A243-V247 WeakPolarHBondContact O-CB 3.43Å; A243-V247 WeakPolarHBondContact O-CG2 3.45Å; A243-V247 PolarHBondContact O-N 2.94Å; V247-F249 PolarHBondContact O-N 3.16Å; V247-F250 PolarHBondContact O-N 3.43Å; V247-Q251 HydrophobicContact CG1-CG 4.49Å; V247-Q251 WeakPolarHBondContact O-CG 3.5Å; V247-Q251 PolarHBondContact O-N 3.34Å
248A93Very high92.5Very high62 Ų6254.1 Ų54.151%0.51234%0.34SS..Hα-helixtrans-58.8-44.8177.300000112.4L246 F250 Q251 L252L246-A248 PolarHBondContact O-N 2.7Å; A248-F250 PolarHBondContact O-N 3.48Å; A248-Q251 PolarHBondContact O-N 2.86Å; A248-L252 WeakPolarHBondContact O-CG 3.3Å; A248-L252 PolarHBondContact O-N 3.45Å
249F92.8Very high92.2Very high74 Ų7455.4 Ų55.433%0.32535%0.352SS..Hα-helixtrans-65.1-38179.7-71.6-72.5000112.7I178 S179 A245 L246 V247 Q251 L252 P253I178-F249 HydrophobicContact CB-CD1 4.39Å; I178-F249 HydrophobicContact CD1-CE1 4.29Å; I178-F249 HydrophobicContact CG2-CB 4.4Å; I178-F249 HydrophobicContact CG2-CD1 3.7Å; I178-F249 HydrophobicContact CG2-CD2 4.11Å; I178-F249 HydrophobicContact CG2-CE1 3.93Å; I178-F249 HydrophobicContact CG2-CE2 4.32Å; I178-F249 HydrophobicContact CG2-CG 3.81Å; I178-F249 HydrophobicContact CG2-CZ 4.24Å; S179-F249 PolarHBondContact OG-O 2.76Å; A245-F249 WeakPolarHBondContact O-CD2 3.14Å; A245-F249 WeakPolarHBondContact O-CE2 3.13Å; L246-F249 PolarHBondContact O-N 2.92Å; V247-F249 PolarHBondContact O-N 3.16Å; F249-Q251 PolarHBondContact O-N 2.87Å; F249-L252 HydrophobicContact CD1-CD1 3.73Å; F249-L252 HydrophobicContact CE1-CD1 4.32Å; F249-L252 PolarHBondContact O-N 3.5Å; F249-P253 WeakPolarHBondContact O-CD 3.2Å
250F93.9Very high91.6Very high23 Ų2355.4 Ų55.410%0.10135%0.353CS..Hα-helixtrans-65.8-26.4176.2-87.2-101.7000113S179 L183 F220 F221 L246 V247 A248 P253S179-F250 WeakPolarHBondContact O-CE2 3.47Å; S179-F250 VanDerWaalsContact O-CZ 3.3Å; S179-F250 WeakPolarHBondContact O-CZ 3.2Å; L183-F250 HydrophobicContact CB-CZ 4.13Å; F220-F250 HydrophobicContact CB-CD1 4.12Å; F220-F250 HydrophobicContact CB-CD2 3.72Å; F220-F250 HydrophobicContact CB-CE1 4.19Å; F220-F250 HydrophobicContact CB-CE2 3.77Å; F220-F250 HydrophobicContact CB-CG 3.9Å; F220-F250 HydrophobicContact CB-CZ 4.02Å; F220-F250 AromaticContact CD2-CE2 3.93Å; F220-F250 HydrophobicContact CD2-CE2 3.93Å; F220-F250 HydrophobicContact CD2-CZ 4.12Å; F220-F250 HydrophobicContact CG-CD2 4.39Å; F220-F250 HydrophobicContact CG-CE2 4.12Å; F221-F250 HydrophobicContact CD1-CD1 4.21Å; F221-F250 HydrophobicContact CD2-CD1 4.01Å; F221-F250 HydrophobicContact CD2-CE1 4.1Å; F221-F250 AromaticContact CE1-CD1 3.91Å; F221-F250 HydrophobicContact CE1-CD1 3.91Å; F221-F250 AromaticContact CE2-CD1 3.7Å; F221-F250 HydrophobicContact CE2-CD1 3.7Å; F221-F250 AromaticContact CE2-CE1 3.58Å; F221-F250 HydrophobicContact CE2-CE1 3.58Å; F221-F250 HydrophobicContact CG-CD1 4.26Å; F221-F250 AromaticContact CZ-CD1 3.65Å; F221-F250 HydrophobicContact CZ-CD1 3.65Å; F221-F250 AromaticContact CZ-CE1 3.84Å; F221-F250 HydrophobicContact CZ-CE1 3.84Å; L246-F250 WeakPolarHBondContact O-CD2 3.27Å; L246-F250 PolarHBondContact O-N 3.29Å; L246-F250 VanDerWaalsContact O-N 3.16Å; V247-F250 PolarHBondContact O-N 3.43Å; A248-F250 PolarHBondContact O-N 3.48Å; F250-P253 WeakPolarHBondContact O-CD 3.5Å
251Q92.8Very high91Very high84 Ų8455.8 Ų55.839%0.39335%0.346SS..Hα-helixtrans-87.7-18.9178.1-61.7-60.4-17.700113.9T222 V247 A248 F249 P253 A254 G255T222-Q251 PolarHBondContact OG1-NE2 3.43Å; V247-Q251 HydrophobicContact CG1-CG 4.49Å; V247-Q251 WeakPolarHBondContact O-CG 3.5Å; V247-Q251 PolarHBondContact O-N 3.34Å; A248-Q251 PolarHBondContact O-N 2.86Å; F249-Q251 PolarHBondContact O-N 2.87Å; Q251-P253 VanDerWaalsContact C-CD 3.47Å; Q251-A254 PolarHBondContact O-N 2.69Å; Q251-G255 PolarHBondContact O-N 3.32Å
252L92.7Very high90.5Very high70 Ų7052.4 Ų52.437%0.36634%0.335SS..Hα-helixtrans-55.3-40.6-179-72.9175.5000114.8T175 A248 F249 A254 G255 I256T175-L252 HydrophobicContact CG2-CB 3.82Å; T175-L252 HydrophobicContact CG2-CD1 3.63Å; T175-L252 HydrophobicContact CG2-CG 4.38Å; A248-L252 WeakPolarHBondContact O-CG 3.3Å; A248-L252 PolarHBondContact O-N 3.45Å; F249-L252 HydrophobicContact CD1-CD1 3.73Å; F249-L252 HydrophobicContact CE1-CD1 4.32Å; F249-L252 PolarHBondContact O-N 3.5Å; L252-A254 VanDerWaalsContact C-N 3.27Å; L252-A254 PolarHBondContact O-N 3.04Å; L252-G255 PolarHBondContact O-N 2.95Å; L252-G255 VanDerWaalsContact O-N 3.08Å; L252-I256 HydrophobicContact CB-CD1 4.33Å; L252-I256 WeakPolarHBondContact O-CG1 3.17Å; L252-I256 PolarHBondContact O-N 3.22Å
253P89.9Confident90Very high30 Ų3057.1 Ų57.120%0.19536%0.359CS..Hα-helixtrans-52.7-42.3177.7-3238.6000113.8L172 F249 F250 Q251 L257L172-P253 HydrophobicContact CD1-CB 3.65Å; L172-P253 HydrophobicContact CD1-CG 4.11Å; F249-P253 WeakPolarHBondContact O-CD 3.2Å; F250-P253 WeakPolarHBondContact O-CD 3.5Å; Q251-P253 VanDerWaalsContact C-CD 3.47Å; P253-L257 WeakPolarHBondContact O-CB 3.22Å; P253-L257 VanDerWaalsContact O-CG 3.25Å; P253-L257 WeakPolarHBondContact O-CG 3.35Å; P253-L257 PolarHBondContact O-N 3.1Å
254A89.9Confident89.3Confident65 Ų6558.3 Ų58.354%0.53736%0.358SS..Hα-helixtrans-67.1-41.7178.400000111.5Q251 L252 G258Q251-A254 PolarHBondContact O-N 2.69Å; L252-A254 VanDerWaalsContact C-N 3.27Å; L252-A254 PolarHBondContact O-N 3.04Å; A254-G258 PolarHBondContact O-N 2.86Å
255G90.6Very high88.7Confident46 Ų4655 Ų5547%0.47434%0.344SS..Hα-helixtrans-65.9-43.2177.200000113.8Q251 L252 G258 S259Q251-G255 PolarHBondContact O-N 3.32Å; L252-G255 PolarHBondContact O-N 2.95Å; L252-G255 VanDerWaalsContact O-N 3.08Å; G255-G258 PolarHBondContact O-N 3.19Å; G255-S259 WeakPolarHBondContact O-CB 3.17Å; G255-S259 PolarHBondContact O-N 3.5Å; G255-S259 PolarHBondContact O-OG 2.97Å
256I89.8Confident88Confident24 Ų2458.9 Ų58.912%0.12335%0.353CS..Hα-helixtrans-64.2-43.6176.6-66.4167.7000110.6E171 T175 L252 S259 G260E171-I256 HydrophobicContact CB-CD1 4.36Å; T175-I256 HydrophobicContact CG2-CD1 3.69Å; L252-I256 HydrophobicContact CB-CD1 4.33Å; L252-I256 WeakPolarHBondContact O-CG1 3.17Å; L252-I256 PolarHBondContact O-N 3.22Å; I256-S259 WeakPolarHBondContact CA-OG 3.38Å; I256-S259 PolarHBondContact O-OG 3.41Å; I256-S259 VanDerWaalsContact O-OG 3.05Å; I256-G260 PolarHBondContact O-N 3.43Å
257L87.5Confident87Confident61 Ų6162.3 Ų62.332%0.31937%0.369SS..Hα-helixtrans-65.9-45.2176.4-71.7172.8000111.3P253 G260 F261P253-L257 WeakPolarHBondContact O-CB 3.22Å; P253-L257 VanDerWaalsContact O-CG 3.25Å; P253-L257 WeakPolarHBondContact O-CG 3.35Å; P253-L257 PolarHBondContact O-N 3.1Å; L257-G260 PolarHBondContact O-N 3.24Å; L257-F261 HydrophobicContact CB-CE2 4.27Å; L257-F261 WeakPolarHBondContact O-CD2 3.4Å; L257-F261 WeakPolarHBondContact O-CG 3.31Å; L257-F261 PolarHBondContact O-N 2.95Å
258G87.7Confident85.9Confident40 Ų4068.7 Ų68.741%0.41239%0.394SS..Hα-helixtrans-59.6-50178.600000112.9A254 G255 F261 A262A254-G258 PolarHBondContact O-N 2.86Å; G255-G258 PolarHBondContact O-N 3.19Å; G258-F261 PolarHBondContact O-N 3.16Å; G258-A262 PolarHBondContact O-N 2.85Å
259S89Confident84.7Confident64 Ų6472 Ų7245%0.44840%0.398SS..Hα-helixtrans-63.2-41175.6560000112.4G255 I256 F261 A262 L263G255-S259 WeakPolarHBondContact O-CB 3.17Å; G255-S259 PolarHBondContact O-N 3.5Å; G255-S259 PolarHBondContact O-OG 2.97Å; I256-S259 WeakPolarHBondContact CA-OG 3.38Å; I256-S259 PolarHBondContact O-OG 3.41Å; I256-S259 VanDerWaalsContact O-OG 3.05Å; S259-F261 PolarHBondContact O-N 3.36Å; S259-A262 PolarHBondContact O-N 3.42Å; S259-L263 WeakPolarHBondContact O-CG 3.23Å; S259-L263 PolarHBondContact O-N 3.3Å
260G84.6Confident83.4Confident15 Ų1578.5 Ų78.516%0.15542%0.421CS..Hα-helixtrans-61.2-41.1175.700000113.2L166 I256 L257 K264L166-G260 VanDerWaalsContact CD2-C 3.44Å; I256-G260 PolarHBondContact O-N 3.43Å; L257-G260 PolarHBondContact O-N 3.24Å; G260-K264 WeakPolarHBondContact O-CB 3.22Å; G260-K264 PolarHBondContact O-N 3.28Å; G260-K264 VanDerWaalsContact O-N 3.12Å
261F82.5Confident82Confident92 Ų9280.6 Ų80.640%0.40443%0.431SS..Hα-helixtrans-66.4-43.8173.4-73.5-58.3000112L163 L166 L257 G258 S259 L263 K264 V265L163-F261 HydrophobicContact CD1-CE1 4.17Å; L163-F261 HydrophobicContact CD1-CZ 3.63Å; L166-F261 HydrophobicContact CD1-CD1 4.29Å; L166-F261 HydrophobicContact CD1-CE1 3.82Å; L166-F261 HydrophobicContact CD1-CZ 4.26Å; L257-F261 HydrophobicContact CB-CE2 4.27Å; L257-F261 WeakPolarHBondContact O-CD2 3.4Å; L257-F261 WeakPolarHBondContact O-CG 3.31Å; L257-F261 PolarHBondContact O-N 2.95Å; G258-F261 PolarHBondContact O-N 3.16Å; S259-F261 PolarHBondContact O-N 3.36Å; F261-L263 PolarHBondContact O-N 3.01Å; F261-K264 PolarHBondContact O-N 2.96Å; F261-V265 WeakPolarHBondContact O-CG2 3.31Å; F261-V265 PolarHBondContact O-N 3.47Å
262A84.2Confident80Confident48 Ų4885.2 Ų85.240%0.39745%0.45SS..Hα-helixtrans-57.6-49177.500000111.4G258 S259 K264 V265 H266G258-A262 PolarHBondContact O-N 2.85Å; S259-A262 PolarHBondContact O-N 3.42Å; A262-K264 VanDerWaalsContact C-N 3.32Å; A262-K264 PolarHBondContact O-N 3.48Å; A262-V265 PolarHBondContact O-N 2.84Å; A262-H266 PolarHBondContact O-CD2 2.91Å; A262-H266 PolarHBondContact O-N 3.5Å
263L82.7Confident78.5Confident110 Ų11084.9 Ų84.958%0.57645%0.446SS*.Hα-helixtrans-59.1-41.5176.4-73.4171.4000112.2S259 F261 V265 H266 Q267S259-L263 WeakPolarHBondContact O-CG 3.23Å; S259-L263 PolarHBondContact O-N 3.3Å; F261-L263 PolarHBondContact O-N 3.01Å; L263-V265 PolarHBondContact O-N 3.09Å; L263-H266 PolarHBondContact O-N 3.44Å; L263-Q267 WeakPolarHBondContact O-CB 3.29Å; L263-Q267 VanDerWaalsContact O-CG 3.31Å; L263-Q267 WeakPolarHBondContact O-CG 3.38Å; L263-Q267 PolarHBondContact O-N 3.44Å
264K77.8Confident77.5Confident60 Ų6090.1 Ų90.126%0.26147%0.466SS..Hα-helixtrans-65.3-39.1178.5-167.8171.3-164.7135.80112.6A162 G260 F261 A262 Q267 K268A162-K264 VanDerWaalsContact CA-NZ 3.28Å; A162-K264 HydrophobicContact CB-CD 4.42Å; A162-K264 PolarHBondContact O-NZ 3.48Å; G260-K264 WeakPolarHBondContact O-CB 3.22Å; G260-K264 PolarHBondContact O-N 3.28Å; G260-K264 VanDerWaalsContact O-N 3.12Å; F261-K264 PolarHBondContact O-N 2.96Å; A262-K264 VanDerWaalsContact C-N 3.32Å; A262-K264 PolarHBondContact O-N 3.48Å; K264-Q267 PolarHBondContact O-N 3.17Å; K264-K268 PolarHBondContact O-N 2.75Å; K264-K268 VanDerWaalsContact O-N 3.08Å
265V80.1Confident76.7Confident84 Ų8492.6 Ų92.651%0.50947%0.47SS..Hα-helixtrans-64.9-45.9174.7173.50000110.1F261 A262 L263 Q267 K268 H269F261-V265 WeakPolarHBondContact O-CG2 3.31Å; F261-V265 PolarHBondContact O-N 3.47Å; A262-V265 PolarHBondContact O-N 2.84Å; L263-V265 PolarHBondContact O-N 3.09Å; V265-Q267 PolarHBondContact O-N 3.42Å; V265-K268 WeakPolarHBondContact O-CB 3.4Å; V265-K268 PolarHBondContact O-N 3.12Å; V265-K268 VanDerWaalsContact O-N 3.16Å; V265-H269 PolarHBondContact O-CD2 3.32Å; V265-H269 PolarHBondContact O-N 3.21Å
266H78Confident75.9Confident129 Ų12995.5 Ų95.560%0.59747%0.467SS*.Hα-helixtrans-60.5-41.3175.7-75.7-65.7000113A262 L263 K268 H269 R270A262-H266 PolarHBondContact O-CD2 2.91Å; A262-H266 PolarHBondContact O-N 3.5Å; L263-H266 PolarHBondContact O-N 3.44Å; H266-K268 VanDerWaalsContact C-N 3.32Å; H266-K268 PolarHBondContact O-N 2.7Å; H266-H269 PolarHBondContact O-N 2.85Å; H266-R270 PolarHBondContact O-N 2.87Å
267Q74Confident75.7Confident95 Ų9596.4 Ų96.444%0.44447%0.471SS..Hα-helixtrans-63.1-37.3175.5-75.8175.6-9.100112.2L263 K264 V265 H269 R270 Q271 L386L263-Q267 WeakPolarHBondContact O-CB 3.29Å; L263-Q267 VanDerWaalsContact O-CG 3.31Å; L263-Q267 WeakPolarHBondContact O-CG 3.38Å; L263-Q267 PolarHBondContact O-N 3.44Å; K264-Q267 PolarHBondContact O-N 3.17Å; V265-Q267 PolarHBondContact O-N 3.42Å; Q267-H269 VanDerWaalsContact C-N 3.28Å; Q267-H269 PolarHBondContact O-N 3.2Å; Q267-R270 WeakPolarHBondContact O-CA 3.43Å; Q267-R270 WeakPolarHBondContact O-CB 3.39Å; Q267-R270 PolarHBondContact O-N 3.11Å; Q267-Q271 PolarHBondContact O-N 3.07Å; Q267-L386 HydrophobicContact CB-CD1 3.98Å; Q267-L386 HydrophobicContact CB-CD2 4.33Å; Q267-L386 HydrophobicContact CG-CD1 4.02Å
268K70Confident75.6Confident166 Ų166101 Ų10172%0.72248%0.484SS*.Hα-helixtrans-61.9-35.9177-166.3179.5179.9-174.10112K264 V265 H266 R270 Q271K264-K268 PolarHBondContact O-N 2.75Å; K264-K268 VanDerWaalsContact O-N 3.08Å; V265-K268 WeakPolarHBondContact O-CB 3.4Å; V265-K268 PolarHBondContact O-N 3.12Å; V265-K268 VanDerWaalsContact O-N 3.16Å; H266-K268 VanDerWaalsContact C-N 3.32Å; H266-K268 PolarHBondContact O-N 2.7Å; K268-R270 VanDerWaalsContact C-N 3.27Å; K268-R270 PolarHBondContact O-N 3.42Å; K268-Q271 WeakPolarHBondContact O-CB 3.17Å; K268-Q271 PolarHBondContact O-N 3.03Å
269H68.9Low75.7Confident131 Ų131102.8 Ų102.861%0.60649%0.488SS*.Hα-helixtrans-66.8-26.7173.3-73.8-77.9000113.1V265 H266 Q267V265-H269 PolarHBondContact O-CD2 3.32Å; V265-H269 PolarHBondContact O-N 3.21Å; H266-H269 PolarHBondContact O-N 2.85Å; Q267-H269 VanDerWaalsContact C-N 3.28Å; Q267-H269 PolarHBondContact O-N 3.2Å
270R65.1Low75.7Confident212 Ų212100.3 Ų100.380%0.847%0.472SS*.Hα-helixtrans-78.9-14174.8-71.2-172.3170.3-166.1-1.4113.8H266 Q267 K268 K272H266-R270 PolarHBondContact O-N 2.87Å; Q267-R270 WeakPolarHBondContact O-CA 3.43Å; Q267-R270 WeakPolarHBondContact O-CB 3.39Å; Q267-R270 PolarHBondContact O-N 3.11Å; K268-R270 VanDerWaalsContact C-N 3.27Å; K268-R270 PolarHBondContact O-N 3.42Å; R270-K272 PolarHBondContact O-N 2.87Å
271Q63.8Low76.1Confident67 Ų67101 Ų10131%0.31348%0.476SS..  trans-70.925.6178.6-160.163.548.400114.1Q267 K268 H273Q267-Q271 PolarHBondContact O-N 3.07Å; K268-Q271 WeakPolarHBondContact O-CB 3.17Å; K268-Q271 PolarHBondContact O-N 3.03Å; Q271-H273 PolarHBondContact O-N 2.87Å
272K51.4Low76.7Confident180 Ų18098.6 Ų98.678%0.78347%0.473SS*.  trans-61.822.8-172.8-90.6179.5176.2-175.60116.1R270R270-K272 PolarHBondContact O-N 2.87Å
273H62.1Low77.1Confident63 Ų6399.2 Ų99.229%0.29247%0.474SS..  trans-129.829.7-164.3-78.1-3.9000114.8Q271 N275 R276 Q277 Y387Q271-H273 PolarHBondContact O-N 2.87Å; H273-N275 PolarHBondContact O-N 3.47Å; H273-N275 VanDerWaalsContact O-N 3.16Å; H273-R276 HydrophobicContact CB-CB 4.29Å; H273-R276 HydrophobicContact CB-CG 4.35Å; H273-R276 WeakPolarHBondContact CD2-CD 3.49Å; H273-R276 PolarHBondContact NE2-NH1 3.46Å; H273-R276 PolarHBondContact O-N 3.26Å; H273-Q277 PolarHBondContact O-N 2.92Å; H273-Y387 AromaticContact CD2-CE2 3.89Å; H273-Y387 AromaticContact CD2-CZ 3.82Å
274F68.1Low77.7Confident140 Ų14095.5 Ų95.561%0.61446%0.455SS*.Hα-helixtrans-49.8-37.6165.7-177.8-102.9000111.8R276 Q277 R278F274-R276 VanDerWaalsContact C-N 3.29Å; F274-R276 PolarHBondContact O-N 3.32Å; F274-Q277 WeakPolarHBondContact O-CB 3.31Å; F274-Q277 PolarHBondContact O-N 3.08Å; F274-R278 HydrophobicContact CD1-CG 4.2Å; F274-R278 HydrophobicContact CE1-CG 3.91Å; F274-R278 HydrophobicContact CZ-CG 4.35Å; F274-R278 PolarHBondContact O-N 2.71Å
275N72.8Confident78.5Confident118 Ų11898.2 Ų98.263%0.63147%0.471SS*.Hα-helixtrans-62.3-30.2176.2-72.2-9.1000113.8H273 P279H273-N275 PolarHBondContact O-N 3.47Å; H273-N275 VanDerWaalsContact O-N 3.16Å; N275-P279 WeakPolarHBondContact O-CD 3.43Å
276R75.1Confident79.1Confident107 Ų10799.9 Ų99.940%0.40447%0.473SS..Hα-helixtrans-80.4-21.1174.5-61.9172.996.1160.20.7112.1H273 F274 I383 Y387H273-R276 HydrophobicContact CB-CB 4.29Å; H273-R276 HydrophobicContact CB-CG 4.35Å; H273-R276 WeakPolarHBondContact CD2-CD 3.49Å; H273-R276 PolarHBondContact NE2-NH1 3.46Å; H273-R276 PolarHBondContact O-N 3.26Å; F274-R276 VanDerWaalsContact C-N 3.29Å; F274-R276 PolarHBondContact O-N 3.32Å; R276-I383 HydrophobicContact CB-CG2 4.44Å; R276-Y387 PolarHBondContact NE-OH 3.37Å
277Q84.1Confident79.8Confident42 Ų4294.2 Ų94.220%0.19645%0.448CS..Hα-helixtrans-75.6-35.7173.6-71176.57.800112.9H273 F274 A280 A281 I383H273-Q277 PolarHBondContact O-N 2.92Å; F274-Q277 WeakPolarHBondContact O-CB 3.31Å; F274-Q277 PolarHBondContact O-N 3.08Å; Q277-A280 PolarHBondContact O-N 3.49Å; Q277-A281 WeakPolarHBondContact O-CB 3.39Å; Q277-A281 PolarHBondContact O-N 3.48Å; Q277-I383 HydrophobicContact CB-CG2 4.43Å; Q277-I383 HydrophobicContact CG-CG2 3.62Å; Q277-I383 PolarHBondContact NE2-O 2.69Å
278R85.8Confident80.7Confident159 Ų15994 Ų9460%0.645%0.45SS*.Hα-helixtrans-53.3-54.4-179.4-68.8177.472.8-177.10.6113.9F274 A280 A281 A282F274-R278 HydrophobicContact CD1-CG 4.2Å; F274-R278 HydrophobicContact CE1-CG 3.91Å; F274-R278 HydrophobicContact CZ-CG 4.35Å; F274-R278 PolarHBondContact O-N 2.71Å; R278-A280 VanDerWaalsContact C-N 3.32Å; R278-A280 PolarHBondContact O-N 2.62Å; R278-A281 PolarHBondContact O-N 3.32Å; R278-A282 PolarHBondContact O-N 3.47Å
279P89.8Confident81.7Confident76 Ų7692.7 Ų92.749%0.49444%0.44SS..Hα-helixtrans-67.3-32.9-179.126.2-34.8000112.6N275 A282 S283N275-P279 WeakPolarHBondContact O-CD 3.43Å; P279-A282 PolarHBondContact O-N 2.88Å; P279-S283 WeakPolarHBondContact O-CB 3.31Å; P279-S283 PolarHBondContact O-N 2.83Å; P279-S283 PolarHBondContact O-OG 2.92Å
280A89.9Confident82.6Confident13 Ų1388.4 Ų88.411%0.10742%0.421CS..Hα-helixtrans-69.3-40.6176.700000112.3Q277 R278 S283 L284 F380 I383Q277-A280 PolarHBondContact O-N 3.49Å; R278-A280 VanDerWaalsContact C-N 3.32Å; R278-A280 PolarHBondContact O-N 2.62Å; A280-S283 PolarHBondContact O-N 3.16Å; A280-L284 WeakPolarHBondContact O-CB 3.47Å; A280-L284 PolarHBondContact O-N 2.84Å; A280-F380 HydrophobicContact CB-CD2 4.16Å; A280-I383 HydrophobicContact CB-CD1 3.37Å
281A93.2Very high83.7Confident29 Ų2979.2 Ų79.224%0.2439%0.389CS..Hα-helixtrans-62.3-45.7173.300000111.3Q277 R278 S283 L284 I285 F380Q277-A281 WeakPolarHBondContact O-CB 3.39Å; Q277-A281 PolarHBondContact O-N 3.48Å; R278-A281 PolarHBondContact O-N 3.32Å; A281-S283 PolarHBondContact O-N 2.87Å; A281-L284 WeakPolarHBondContact O-CB 3.45Å; A281-L284 PolarHBondContact O-N 3.35Å; A281-I285 WeakPolarHBondContact O-CG1 3.29Å; A281-I285 PolarHBondContact O-N 3.26Å; A281-F380 HydrophobicContact CB-CD2 4.13Å; A281-F380 HydrophobicContact CB-CE2 3.66Å; A281-F380 HydrophobicContact CB-CZ 4.38Å
282A94.5Very high84.9Confident42 Ų4283.8 Ų83.835%0.34741%0.405SS..Hα-helixtrans-59.1-46.3176.200000111.5R278 P279 L284 I285 Q286R278-A282 PolarHBondContact O-N 3.47Å; P279-A282 PolarHBondContact O-N 2.88Å; A282-L284 VanDerWaalsContact C-N 3.31Å; A282-L284 PolarHBondContact O-N 3.02Å; A282-I285 PolarHBondContact O-N 2.91Å; A282-Q286 WeakPolarHBondContact O-CB 3.25Å; A282-Q286 VanDerWaalsContact O-CG 3.3Å; A282-Q286 WeakPolarHBondContact O-CG 3.4Å; A282-Q286 PolarHBondContact O-N 3.26Å
283S93Very high86.6Confident61 Ų6175.2 Ų75.243%0.42737%0.367SS..Hα-helixtrans-60.7-39.5177-600000112.3P279 A280 A281 A287P279-S283 WeakPolarHBondContact O-CB 3.31Å; P279-S283 PolarHBondContact O-N 2.83Å; P279-S283 PolarHBondContact O-OG 2.92Å; A280-S283 PolarHBondContact O-N 3.16Å; A281-S283 PolarHBondContact O-N 2.87Å; S283-A287 VanDerWaalsContact O-CB 3.27Å; S283-A287 WeakPolarHBondContact O-CB 3.26Å; S283-A287 PolarHBondContact O-N 3.49Å
284L94.8Very high87.5Confident31 Ų3172.4 Ų72.416%0.16236%0.355CS..Hα-helixtrans-64.1-46.2176.4175.660.9000111.9A280 A281 A282 A287 L288 Y373 A376 R377 F380A280-L284 WeakPolarHBondContact O-CB 3.47Å; A280-L284 PolarHBondContact O-N 2.84Å; A281-L284 WeakPolarHBondContact O-CB 3.45Å; A281-L284 PolarHBondContact O-N 3.35Å; A282-L284 VanDerWaalsContact C-N 3.31Å; A282-L284 PolarHBondContact O-N 3.02Å; L284-A287 PolarHBondContact O-N 3.3Å; L284-L288 WeakPolarHBondContact O-CB 3.26Å; L284-L288 PolarHBondContact O-N 3.44Å; L284-Y373 HydrophobicContact CD1-CD2 4.03Å; L284-Y373 HydrophobicContact CD1-CE2 3.87Å; L284-A376 HydrophobicContact CB-CB 4.49Å; L284-A376 HydrophobicContact CD1-CB 4.26Å; L284-R377 HydrophobicContact CD1-CB 3.91Å; L284-F380 HydrophobicContact CD2-CB 4.02Å; L284-F380 HydrophobicContact CD2-CD1 3.62Å; L284-F380 HydrophobicContact CD2-CE1 4.3Å; L284-F380 HydrophobicContact CD2-CG 3.88Å
285I94.3Very high88.2Confident117 Ų11770.9 Ų70.960%0.635%0.348SS*.Hα-helixtrans-62.9-45.7178.8-66.2166.2000110.2A281 A282 L288 W289A281-I285 WeakPolarHBondContact O-CG1 3.29Å; A281-I285 PolarHBondContact O-N 3.26Å; A282-I285 PolarHBondContact O-N 2.91Å; I285-L288 PolarHBondContact O-N 3.43Å; I285-W289 PolarHBondContact O-N 3.42Å
286Q93.1Very high88Confident120 Ų12070.1 Ų70.156%0.56135%0.349SS*.Hα-helixtrans-62-44.6177.5-71173.9-7.900112A282 W289 Q290A282-Q286 WeakPolarHBondContact O-CB 3.25Å; A282-Q286 VanDerWaalsContact O-CG 3.3Å; A282-Q286 WeakPolarHBondContact O-CG 3.4Å; A282-Q286 PolarHBondContact O-N 3.26Å; Q286-W289 PolarHBondContact O-N 2.86Å; Q286-Q290 WeakPolarHBondContact O-CG 3.41Å; Q286-Q290 PolarHBondContact O-N 3.38Å
287A91.7Very high87.9Confident9 Ų971.6 Ų71.67%0.07437%0.365CS..Hα-helixtrans-66.1-37.7177.800000112.3S283 L284 Q290 C291 A376S283-A287 VanDerWaalsContact O-CB 3.27Å; S283-A287 WeakPolarHBondContact O-CB 3.26Å; S283-A287 PolarHBondContact O-N 3.49Å; L284-A287 PolarHBondContact O-N 3.3Å; A287-Q290 PolarHBondContact O-N 2.92Å; A287-C291 WeakPolarHBondContact O-CB 3.28Å; A287-C291 PolarHBondContact O-N 2.94Å; A287-A376 HydrophobicContact CB-CB 4.14Å
288L93.3Very high87.1Confident91 Ų9170.8 Ų70.848%0.47636%0.364SS..Hα-helixtrans-62.5-46.2173.917964.8000111L284 I285 C291 Y292 Y373L284-L288 WeakPolarHBondContact O-CB 3.26Å; L284-L288 PolarHBondContact O-N 3.44Å; I285-L288 PolarHBondContact O-N 3.43Å; L288-C291 PolarHBondContact O-N 2.94Å; L288-Y292 PolarHBondContact O-N 3.05Å; L288-Y373 HydrophobicContact CB-CD2 4.01Å; L288-Y373 HydrophobicContact CB-CE2 4.15Å; L288-Y373 HydrophobicContact CD1-CD2 4.04Å; L288-Y373 HydrophobicContact CD1-CE2 3.68Å; L288-Y373 HydrophobicContact CG-CE2 4.43Å
289W91.5Very high86Confident138 Ų13869.2 Ų69.252%0.52338%0.376SS..Hα-helixtrans-62.6-42.4176.8178.682.4000112.1I285 Q286 C291 Y292 A293 T303I285-W289 PolarHBondContact O-N 3.42Å; Q286-W289 PolarHBondContact O-N 2.86Å; W289-C291 VanDerWaalsContact C-N 3.33Å; W289-C291 PolarHBondContact O-N 3.26Å; W289-Y292 PolarHBondContact O-N 3.49Å; W289-A293 WeakPolarHBondContact O-CB 3.26Å; W289-A293 PolarHBondContact O-N 2.93Å; W289-T303 WeakPolarHBondContact CH2-OG1 3.36Å; W289-T303 HydrophobicContact CZ3-CG2 4.3Å
290Q87.9Confident85Confident41 Ų4167.9 Ų67.919%0.19237%0.368CS..Hα-helixtrans-62.3-39.3174.9-73.1175.5-2.400112.3Q286 A287 T294Q286-Q290 WeakPolarHBondContact O-CG 3.41Å; Q286-Q290 PolarHBondContact O-N 3.38Å; A287-Q290 PolarHBondContact O-N 2.92Å; Q290-T294 WeakPolarHBondContact O-CG2 3.32Å; Q290-T294 PolarHBondContact O-N 3.09Å; Q290-T294 PolarHBondContact O-OG1 3Å
291C88Confident84Confident20 Ų2074.9 Ų74.914%0.13540%0.396CS..Hα-helixtrans-66.2-39.2175.6-169.30000111.7A287 L288 W289 T294 H366A287-C291 WeakPolarHBondContact O-CB 3.28Å; A287-C291 PolarHBondContact O-N 2.94Å; L288-C291 PolarHBondContact O-N 2.94Å; W289-C291 VanDerWaalsContact C-N 3.33Å; W289-C291 PolarHBondContact O-N 3.26Å; C291-T294 PolarHBondContact O-OG1 3.28Å; C291-T294 VanDerWaalsContact O-OG1 3.1Å; C291-H366 PolarHBondContact O-CE1 3.48Å
292Y88.5Confident83Confident163 Ų16377.3 Ų77.364%0.63942%0.416SS*.Hα-helixtrans-66.6-46.5175.6-179.5-98.8000111.9L288 W289 T294 F295 S298L288-Y292 PolarHBondContact O-N 3.05Å; W289-Y292 PolarHBondContact O-N 3.49Å; Y292-T294 PolarHBondContact O-N 2.82Å; Y292-F295 WeakPolarHBondContact O-CB 3.09Å; Y292-F295 PolarHBondContact O-N 2.97Å; Y292-S298 PolarHBondContact O-OG 3.45Å
293A86Confident82Confident0 Ų075.7 Ų75.70%040%0.402CS..Hα-helixtrans-68-15.5-178.700000114.5W289 C300 T303W289-A293 WeakPolarHBondContact O-CB 3.26Å; W289-A293 PolarHBondContact O-N 2.93Å; A293-C300 HydrophobicContact CB-CB 3.96Å; A293-T303 HydrophobicContact CB-CG2 3.92Å; A293-T303 WeakPolarHBondContact CB-OG1 3.46Å
294T81.7Confident81Confident4 Ų474.3 Ų74.33%0.02539%0.388CS..THydrogen-bonded Turntrans-97.35.4176.950.20000113.6Q290 C291 Y292 W304 F307 I365 H366Q290-T294 WeakPolarHBondContact O-CG2 3.32Å; Q290-T294 PolarHBondContact O-N 3.09Å; Q290-T294 PolarHBondContact O-OG1 3Å; C291-T294 PolarHBondContact O-OG1 3.28Å; C291-T294 VanDerWaalsContact O-OG1 3.1Å; Y292-T294 PolarHBondContact O-N 2.82Å; T294-W304 HydrophobicContact CG2-CH2 4.36Å; T294-W304 HydrophobicContact CG2-CZ2 4.32Å; T294-F307 HydrophobicContact CG2-CE2 4.08Å; T294-I365 HydrophobicContact CG2-CG2 4.16Å; T294-H366 PolarHBondContact O-ND1 2.8Å; T294-H366 PolarHBondContact OG1-ND1 3.08Å
295F82.4Confident79.9Confident108 Ų10875.2 Ų75.247%0.47440%0.396SS..SBendtrans-64.2146.8176.8-149.8-101.8000110.6Y292 N297 S298 H366Y292-F295 WeakPolarHBondContact O-CB 3.09Å; Y292-F295 PolarHBondContact O-N 2.97Å; F295-N297 PolarHBondContact O-N 3.06Å; F295-S298 WeakPolarHBondContact O-CB 3.43Å; F295-S298 PolarHBondContact O-N 3.19Å; F295-H366 AromaticContact CD2-CE1 3.99Å
296P70.4Confident78.7Confident101 Ų10178.1 Ų78.166%0.65640%0.4SS*.THydrogen-bonded Turntrans-54.1-27.3-174.5-28.134.1000115.2
297N71.1Confident77.6Confident139 Ų13974.4 Ų74.474%0.74338%0.382SS*.THydrogen-bonded Turntrans-96.41.7-177.8-61.3-12.8000113.5F295F295-N297 PolarHBondContact O-N 3.06Å
298S67.3Low76.3Confident24 Ų2477.5 Ų77.517%0.16840%0.397CS..  trans-97.2113.9-173.9-61.90000111.9Y292 F295 C300Y292-S298 PolarHBondContact O-OG 3.45Å; F295-S298 WeakPolarHBondContact O-CB 3.43Å; F295-S298 PolarHBondContact O-N 3.19Å; S298-C300 PolarHBondContact O-N 2.63Å; S298-C300 VanDerWaalsContact O-N 3.15Å
299C62.6Low74.7Confident127 Ų12775.7 Ų75.786%0.85839%0.392SS*.  trans-82.126.5-178.7-60.20000114.6F301C299-F301 PolarHBondContact O-N 3.28Å
300C69Low73.2Confident48 Ų4871.9 Ų71.932%0.32439%0.39SS..  trans-73.882.8-171.9-65.90000113A293 S298 A302 T303 W304A293-C300 HydrophobicContact CB-CB 3.96Å; S298-C300 PolarHBondContact O-N 2.63Å; S298-C300 VanDerWaalsContact O-N 3.15Å; C300-A302 VanDerWaalsContact C-N 3.28Å; C300-A302 PolarHBondContact O-N 3.37Å; C300-T303 PolarHBondContact O-N 2.87Å; C300-T303 VanDerWaalsContact O-N 3.15Å; C300-W304 PolarHBondContact O-N 3.44Å
301F69.5Low71.7Confident160 Ų16073.3 Ų73.370%0.70239%0.394SS*.Hα-helixtrans-53.3-39.6-178.3-175.1-98.6000113.8C299 T303 W304 S305C299-F301 PolarHBondContact O-N 3.28Å; F301-T303 VanDerWaalsContact C-N 3.3Å; F301-T303 PolarHBondContact O-N 2.95Å; F301-W304 PolarHBondContact O-N 3.29Å; F301-S305 PolarHBondContact O-N 2.93Å
302A72.6Confident69.9Low79 Ų7981.9 Ų81.965%0.65342%0.424SS*.Hα-helixtrans-59.6-37.6-179.700000113.2C300C300-A302 VanDerWaalsContact C-N 3.28Å; C300-A302 PolarHBondContact O-N 3.37Å
303T73.4Confident68.1Low9 Ų981.2 Ų81.26%0.05543%0.43CS..Hα-helixtrans-74-40.3178.2-48.90000111.1W289 A293 C300 F301 S305 R306 F307W289-T303 WeakPolarHBondContact CH2-OG1 3.36Å; W289-T303 HydrophobicContact CZ3-CG2 4.3Å; A293-T303 HydrophobicContact CB-CG2 3.92Å; A293-T303 WeakPolarHBondContact CB-OG1 3.46Å; C300-T303 PolarHBondContact O-N 2.87Å; C300-T303 VanDerWaalsContact O-N 3.15Å; F301-T303 VanDerWaalsContact C-N 3.3Å; F301-T303 PolarHBondContact O-N 2.95Å; T303-S305 VanDerWaalsContact C-N 3.35Å; T303-R306 PolarHBondContact O-N 3.25Å; T303-F307 HydrophobicContact CG2-CE2 4.19Å; T303-F307 VanDerWaalsContact O-CD2 3.29Å; T303-F307 WeakPolarHBondContact O-CD2 3.36Å
304W71.6Confident66.2Low32 Ų3286.4 Ų86.412%0.12146%0.457CS..Hα-helixtrans-66.9-33.2176.8-70.4109000112.8T294 C300 F301 R306 F307 N308 K362 I365T294-W304 HydrophobicContact CG2-CH2 4.36Å; T294-W304 HydrophobicContact CG2-CZ2 4.32Å; C300-W304 PolarHBondContact O-N 3.44Å; F301-W304 PolarHBondContact O-N 3.29Å; W304-R306 VanDerWaalsContact C-N 3.27Å; W304-R306 PolarHBondContact O-N 3.31Å; W304-F307 HydrophobicContact CE3-CD2 4.42Å; W304-F307 PolarHBondContact O-N 2.86Å; W304-N308 PolarHBondContact O-N 3.17Å; W304-K362 HydrophobicContact CE3-CG 4.44Å; W304-K362 HydrophobicContact CH2-CB 3.71Å; W304-K362 HydrophobicContact CH2-CD 4.14Å; W304-K362 HydrophobicContact CH2-CG 3.52Å; W304-K362 HydrophobicContact CZ2-CD 4.45Å; W304-K362 HydrophobicContact CZ2-CG 4.29Å; W304-K362 HydrophobicContact CZ3-CB 4.14Å; W304-K362 HydrophobicContact CZ3-CD 4.41Å; W304-K362 HydrophobicContact CZ3-CG 3.6Å; W304-I365 HydrophobicContact CE3-CD1 4.43Å; W304-I365 HydrophobicContact CZ3-CB 4.43Å; W304-I365 HydrophobicContact CZ3-CD1 3.68Å; W304-I365 HydrophobicContact CZ3-CG2 4.26Å
305S71.7Confident64.3Low49 Ų4991.5 Ų91.534%0.34349%0.491SS..Hα-helixtrans-52.7-42.8174.8168.30000112.4F301 T303 F307 N308 S309F301-S305 PolarHBondContact O-N 2.93Å; T303-S305 VanDerWaalsContact C-N 3.35Å; S305-F307 VanDerWaalsContact C-N 3.3Å; S305-F307 PolarHBondContact O-N 2.79Å; S305-N308 PolarHBondContact O-N 3.42Å; S305-S309 PolarHBondContact O-N 2.89Å; S305-S309 PolarHBondContact O-OG 2.83Å
306R70.2Confident62.6Low179 Ų17996.3 Ų96.368%0.67551%0.506SS*.Hα-helixtrans-61.4-38.9177.5-172.3178.1-179.1166.63.2112.4T303 W304 A310T303-R306 PolarHBondContact O-N 3.25Å; W304-R306 VanDerWaalsContact C-N 3.27Å; W304-R306 PolarHBondContact O-N 3.31Å; R306-A310 PolarHBondContact O-N 3.37Å
307F68.8Low61.1Low42 Ų4298.5 Ų98.518%0.18451%0.512CS..Hα-helixtrans-73.9-42.2176.9-64.9-69.9000111.1T294 T303 W304 S305 S309 A310 Y311 I365T294-F307 HydrophobicContact CG2-CE2 4.08Å; T303-F307 HydrophobicContact CG2-CE2 4.19Å; T303-F307 VanDerWaalsContact O-CD2 3.29Å; T303-F307 WeakPolarHBondContact O-CD2 3.36Å; W304-F307 HydrophobicContact CE3-CD2 4.42Å; W304-F307 PolarHBondContact O-N 2.86Å; S305-F307 VanDerWaalsContact C-N 3.3Å; S305-F307 PolarHBondContact O-N 2.79Å; F307-S309 VanDerWaalsContact C-N 3.32Å; F307-S309 PolarHBondContact O-N 3.3Å; F307-A310 CarbonylContact O-C 3.59Å; F307-A310 WeakPolarHBondContact O-CA 3.19Å; F307-A310 WeakPolarHBondContact O-CB 3.19Å; F307-A310 PolarHBondContact O-N 3.49Å; F307-A310 VanDerWaalsContact O-N 3.08Å; F307-Y311 VanDerWaalsContact C-CD2 3.49Å; F307-Y311 HydrophobicContact CB-CD2 4.36Å; F307-Y311 HydrophobicContact CB-CE2 3.98Å; F307-Y311 WeakPolarHBondContact O-CD2 3.44Å; F307-Y311 PolarHBondContact O-N 3.26Å; F307-I365 HydrophobicContact CB-CD1 4.32Å; F307-I365 HydrophobicContact CD1-CG1 4.46Å; F307-I365 HydrophobicContact CD1-CG2 3.83Å; F307-I365 HydrophobicContact CD2-CG2 3.92Å; F307-I365 HydrophobicContact CE1-CG2 3.63Å; F307-I365 HydrophobicContact CE2-CG2 3.71Å; F307-I365 HydrophobicContact CG-CD1 4.42Å; F307-I365 HydrophobicContact CG-CG2 3.99Å; F307-I365 HydrophobicContact CZ-CG2 3.57Å
308N64Low59.2Low73 Ų73103.5 Ų103.539%0.3952%0.52SS..Hα-helixtrans-60.9-38.5177.4-71.9-12.8000112.8W304 S305 Y311 R312W304-N308 PolarHBondContact O-N 3.17Å; S305-N308 PolarHBondContact O-N 3.42Å; N308-Y311 PolarHBondContact O-N 3.01Å; N308-R312 PolarHBondContact O-N 2.93Å; N308-R312 VanDerWaalsContact O-N 3.11Å
309S61.4Low57.6Low53 Ų53108.2 Ų108.237%0.37154%0.543SS..Hα-helixtrans-66.5-38.1173.4-63.40000112S305 F307 R312S305-S309 PolarHBondContact O-N 2.89Å; S305-S309 PolarHBondContact O-OG 2.83Å; F307-S309 VanDerWaalsContact C-N 3.32Å; F307-S309 PolarHBondContact O-N 3.3Å; S309-R312 PolarHBondContact O-N 3.22Å
310A58.2Low56.3Low58 Ų58107.7 Ų107.748%0.47954%0.538SS..Hα-helixtrans-67.3-35.8173.600000112.3R306 F307 R312 L313R306-A310 PolarHBondContact O-N 3.37Å; F307-A310 CarbonylContact O-C 3.59Å; F307-A310 WeakPolarHBondContact O-CA 3.19Å; F307-A310 WeakPolarHBondContact O-CB 3.19Å; F307-A310 PolarHBondContact O-N 3.49Å; F307-A310 VanDerWaalsContact O-N 3.08Å; A310-R312 VanDerWaalsContact C-N 3.32Å; A310-R312 PolarHBondContact O-N 2.93Å; A310-L313 PolarHBondContact O-N 3.1Å
311Y57Low54.6Low72 Ų72112 Ų11228%0.28256%0.563SS.*Hα-helixtrans-64.6-35174.7-77-60.9000113.1F307 N308 L313 L314 L361 I365F307-Y311 VanDerWaalsContact C-CD2 3.49Å; F307-Y311 HydrophobicContact CB-CD2 4.36Å; F307-Y311 HydrophobicContact CB-CE2 3.98Å; F307-Y311 WeakPolarHBondContact O-CD2 3.44Å; F307-Y311 PolarHBondContact O-N 3.26Å; N308-Y311 PolarHBondContact O-N 3.01Å; Y311-L313 PolarHBondContact O-N 3.15Å; Y311-L314 HydrophobicContact CD1-CD1 3.85Å; Y311-L314 HydrophobicContact CE1-CD1 4.32Å; Y311-L314 PolarHBondContact O-N 3.07Å; Y311-L361 HydrophobicContact CD1-CD2 3.95Å; Y311-L361 HydrophobicContact CD2-CD2 4.21Å; Y311-L361 HydrophobicContact CE1-CD1 3.56Å; Y311-L361 HydrophobicContact CE1-CD2 3.53Å; Y311-L361 HydrophobicContact CE1-CG 3.83Å; Y311-L361 HydrophobicContact CE2-CD2 3.79Å; Y311-L361 HydrophobicContact CE2-CG 4.09Å; Y311-L361 HydrophobicContact CG-CD2 4.32Å; Y311-L361 VanDerWaalsContact CZ-CD2 3.46Å; Y311-L361 VanDerWaalsContact CZ-CG 3.47Å; Y311-L361 WeakPolarHBondContact OH-CD1 3.49Å; Y311-L361 VanDerWaalsContact OH-CG 3.28Å; Y311-L361 WeakPolarHBondContact OH-CG 3.47Å; Y311-I365 HydrophobicContact CE2-CD1 3.63Å; Y311-I365 HydrophobicContact CE2-CG1 4.4Å; Y311-I365 WeakPolarHBondContact OH-CD1 3.22Å; Y311-I365 WeakPolarHBondContact OH-CG1 3.38Å
312R49.7Very low53.1Low199 Ų199113 Ų11375%0.75157%0.57SS**Hα-helixtrans-66.2-19.8177.1-81.5-170.6-92.6-154.4-1.6113.8N308 S309 A310N308-R312 PolarHBondContact O-N 2.93Å; N308-R312 VanDerWaalsContact O-N 3.11Å; S309-R312 PolarHBondContact O-N 3.22Å; A310-R312 VanDerWaalsContact C-N 3.32Å; A310-R312 PolarHBondContact O-N 2.93Å
313L50.7Low51.4Low149 Ų149118 Ų11878%0.7858%0.58SS**THydrogen-bonded Turntrans-91.6-6.6179.8-64.6172.9000113.7A310 Y311A310-L313 PolarHBondContact O-N 3.1Å; Y311-L313 PolarHBondContact O-N 3.15Å
314L47.7Very low49.8Very low109 Ų109126 Ų12657%0.57162%0.617SS**SBendtrans-70.6132171-71.2166.9000108.4Y311 R316Y311-L314 HydrophobicContact CD1-CD1 3.85Å; Y311-L314 HydrophobicContact CE1-CD1 4.32Å; Y311-L314 PolarHBondContact O-N 3.07Å; L314-R316 PolarHBondContact O-N 3.04Å
315P41.4Very low48.4Very low112 Ų112129.2 Ų129.273%0.72764%0.641SS**  trans-53117.6174.2-19.429.5000108D317P315-D317 VanDerWaalsContact C-N 3.27Å; P315-D317 PolarHBondContact O-N 3.31Å
316R45.9Very low47.1Very low209 Ų209134.8 Ų134.879%0.78967%0.667SS**  trans-65.6102.6160.1-82.7-146-152.3-167.712.7104.7L314 R318L314-R316 PolarHBondContact O-N 3.04Å; R316-R318 PolarHBondContact O-N 2.98Å; R316-R318 VanDerWaalsContact O-N 3.07Å
317D39.2Very low46.4Very low146 Ų146130.7 Ų130.778%0.78166%0.657SS**  trans-47.7123.3157.8-74.3-39.4000107P315 L319P315-D317 VanDerWaalsContact C-N 3.27Å; P315-D317 PolarHBondContact O-N 3.31Å; D317-L319 PolarHBondContact O-N 3.4Å
318R31.9Very low45.6Very low245 Ų245132.2 Ų132.293%0.92567%0.671SS**  trans-33.4101-175.4-71.1179.7-97.9-144.9-3.2111R316R316-R318 PolarHBondContact O-N 2.98Å; R316-R318 VanDerWaalsContact O-N 3.07Å
319L34.1Very low44.9Very low123 Ų123135.2 Ų135.264%0.64469%0.694SS**  trans-70134.4154.7-96.4100.5000106D317 T321D317-L319 PolarHBondContact O-N 3.4Å; L319-T321 PolarHBondContact O-N 2.91Å
320P33.8Very low44.4Very low116 Ų116141.4 Ų141.475%0.75372%0.717SS**  trans-52.9129.8176.3-17.728.5000108.4E322P320-E322 PolarHBondContact O-N 3.07Å
321T33.8Very low44.3Very low137 Ų137141.2 Ų141.284%0.8471%0.707SS**  trans-44.3126.1167.5-15.10000107.7L319 E323L319-T321 PolarHBondContact O-N 2.91Å; T321-E323 VanDerWaalsContact C-N 3.34Å; T321-E323 PolarHBondContact O-N 3.32Å
322E38.3Very low44.3Very low182 Ų182142.4 Ų142.485%0.8572%0.718SS**  trans-6098.6171.7-70.7179.2149.200107.5P320 E324P320-E322 PolarHBondContact O-N 3.07Å; E322-E324 PolarHBondContact O-N 3.13Å
323E36.8Very low45.1Very low185 Ų185141.1 Ų141.186%0.86472%0.718SS**  trans-70.8108151.6-82-178.716800105.8T321T321-E323 VanDerWaalsContact C-N 3.34Å; T321-E323 PolarHBondContact O-N 3.32Å
324E39Very low45.9Very low177 Ų177138.7 Ų138.783%0.82771%0.71SS**  trans-58.2121.5169.5-170.2163.7-166.800107.8E322 L326E322-E324 PolarHBondContact O-N 3.13Å; E324-L326 PolarHBondContact O-N 3.25Å; E324-L326 VanDerWaalsContact O-N 3.08Å
325P42.1Very low46.8Very low99 Ų99138.2 Ų138.264%0.64371%0.705SS**  trans-66.8116.7-178.326.1-30.5000107.9I327P325-I327 VanDerWaalsContact C-N 3.35Å; P325-I327 PolarHBondContact O-N 2.92Å
326L46.2Very low47.7Very low166 Ų166137.8 Ų137.887%0.86969%0.689SS**  trans-63.198.5168.6-135.9103.4000106.8E324 P328E324-L326 PolarHBondContact O-N 3.25Å; E324-L326 VanDerWaalsContact O-N 3.08Å; L326-P328 VanDerWaalsContact O-CD 3.3Å; L326-P328 WeakPolarHBondContact O-CD 3.43Å
327I55.5Low48.6Very low93 Ų93132 Ų13248%0.47767%0.674SS.*  trans-62.8118.3174-58.4173.7000106.3P325 Y336P325-I327 VanDerWaalsContact C-N 3.35Å; P325-I327 PolarHBondContact O-N 2.92Å; I327-Y336 HydrophobicContact CD1-CE2 4.09Å
328P50.3Low50.1Low74 Ų74129.8 Ų129.848%0.48166%0.661SS.*  trans-63.7138.9-178.823.3-30.5000109.8L326 Q330L326-P328 VanDerWaalsContact O-CD 3.3Å; L326-P328 WeakPolarHBondContact O-CD 3.43Å; P328-Q330 PolarHBondContact O-N 3.23Å
329P50.8Low51.8Low135 Ų135122.4 Ų122.488%0.87764%0.637SS**THydrogen-bonded Turntrans-71.822.7-170.427.4-34.1000115.3
330Q51.3Low53.1Low183 Ų183120 Ų12086%0.85562%0.624SS**THydrogen-bonded Turntrans-138.334.1-177.7-64.7-163.1-16.500114.2P328P328-Q330 PolarHBondContact O-N 3.23Å
331M55.9Low54.6Low55 Ų55118.2 Ų118.227%0.27161%0.614SS.*  trans-90.4131178.8-161176.8-88.500112.3E335 E339M331-E335 HydrophobicContact CE-CG 4.44Å; M331-E335 HydrophobicContact CG-CB 3.85Å; M331-E335 HydrophobicContact CG-CG 4.02Å; M331-E335 HydrophobicContact SD-CB 4.28Å; M331-E335 HydrophobicContact SD-CG 4.09Å; M331-E339 VanDerWaalsContact CE-OE2 3.28Å; M331-E339 WeakPolarHBondContact CE-OE2 3.47Å
332N56.4Low56.2Low96 Ų96118.4 Ų118.451%0.51360%0.604SS.*  trans-67.9142.6177.210-27000110T334 E335 Y336N332-T334 VanDerWaalsContact C-N 3.25Å; N332-T334 PolarHBondContact O-N 3.12Å; N332-T334 VanDerWaalsContact O-N 3.1Å; N332-E335 WeakPolarHBondContact O-CB 3.11Å; N332-E335 PolarHBondContact O-N 2.65Å; N332-E335 PolarHBondContact OD1-OE2 2.92Å; N332-Y336 PolarHBondContact O-N 3.44Å; N332-Y336 VanDerWaalsContact O-N 3.13Å
333K66.6Low57Low172 Ų172113.4 Ų113.475%0.74858%0.583SS**Hα-helixtrans-52.4-38.9-171.7-168.4173.5-177.5175.40114.1D337K333-D337 PolarHBondContact O-N 2.9Å; K333-D337 VanDerWaalsContact O-N 3.12Å
334T68Low58Low98 Ų98107.8 Ų107.860%0.60156%0.563SS**Hα-helixtrans-66.4-35177.239.60000113.5N332 I338N332-T334 VanDerWaalsContact C-N 3.25Å; N332-T334 PolarHBondContact O-N 3.12Å; N332-T334 VanDerWaalsContact O-N 3.1Å; T334-I338 WeakPolarHBondContact O-CD1 3.45Å; T334-I338 VanDerWaalsContact O-CG1 3.3Å; T334-I338 WeakPolarHBondContact O-CG1 3.35Å; T334-I338 PolarHBondContact O-N 3.48Å
335E65.6Low58.9Low99 Ų99102 Ų10246%0.46355%0.545SS..Hα-helixtrans-76.1-38.1-179.9-165.4163.1-158.700110.9M331 N332 D337 I338 E339M331-E335 HydrophobicContact CE-CG 4.44Å; M331-E335 HydrophobicContact CG-CB 3.85Å; M331-E335 HydrophobicContact CG-CG 4.02Å; M331-E335 HydrophobicContact SD-CB 4.28Å; M331-E335 HydrophobicContact SD-CG 4.09Å; N332-E335 WeakPolarHBondContact O-CB 3.11Å; N332-E335 PolarHBondContact O-N 2.65Å; N332-E335 PolarHBondContact OD1-OE2 2.92Å; E335-D337 PolarHBondContact O-N 3.47Å; E335-I338 PolarHBondContact O-N 2.89Å; E335-E339 PolarHBondContact O-N 2.76Å; E335-E339 VanDerWaalsContact O-N 3.07Å
336Y61.2Low59.6Low103 Ų103102.5 Ų102.540%0.40454%0.539SS..Hα-helixtrans-58-46.9170.8-174.8-93.4000112.3I327 N332 I338 E339 I340I327-Y336 HydrophobicContact CD1-CE2 4.09Å; N332-Y336 PolarHBondContact O-N 3.44Å; N332-Y336 VanDerWaalsContact O-N 3.13Å; Y336-I338 VanDerWaalsContact C-N 3.33Å; Y336-I338 PolarHBondContact O-N 3.39Å; Y336-E339 PolarHBondContact O-N 3.4Å; Y336-I340 HydrophobicContact CD1-CG1 3.92Å; Y336-I340 HydrophobicContact CE1-CD1 3.85Å; Y336-I340 HydrophobicContact CE1-CG1 3.64Å; Y336-I340 WeakPolarHBondContact O-CG1 3.49Å; Y336-I340 PolarHBondContact O-N 2.94Å
337D64.4Low59.8Low88 Ų88101.8 Ų101.847%0.47153%0.529SS..Hα-helixtrans-64.1-36.6-180-71.9-27.6000112.4K333 E335 S341K333-D337 PolarHBondContact O-N 2.9Å; K333-D337 VanDerWaalsContact O-N 3.12Å; E335-D337 PolarHBondContact O-N 3.47Å; D337-S341 WeakPolarHBondContact O-CB 3.44Å; D337-S341 PolarHBondContact O-N 3.27Å
338I71.3Confident59.6Low99 Ų99102 Ų10251%0.50853%0.531SS..Hα-helixtrans-66.4-42.5175.9-69.1166.8000110.7T334 E335 Y336 S341 K342T334-I338 WeakPolarHBondContact O-CD1 3.45Å; T334-I338 VanDerWaalsContact O-CG1 3.3Å; T334-I338 WeakPolarHBondContact O-CG1 3.35Å; T334-I338 PolarHBondContact O-N 3.48Å; E335-I338 PolarHBondContact O-N 2.89Å; Y336-I338 VanDerWaalsContact C-N 3.33Å; Y336-I338 PolarHBondContact O-N 3.39Å; I338-S341 PolarHBondContact O-N 2.98Å; I338-K342 HydrophobicContact CG2-CD 4.41Å; I338-K342 WeakPolarHBondContact O-CG 3.5Å; I338-K342 PolarHBondContact O-N 3.43Å
339E65.7Low59.8Low90 Ų90102.6 Ų102.642%0.42153%0.533SS..Hα-helixtrans-69.5-39.9-179.4-165.3157.7-154.500112.1M331 E335 Y336 S341 K342 L343M331-E339 VanDerWaalsContact CE-OE2 3.28Å; M331-E339 WeakPolarHBondContact CE-OE2 3.47Å; E335-E339 PolarHBondContact O-N 2.76Å; E335-E339 VanDerWaalsContact O-N 3.07Å; Y336-E339 PolarHBondContact O-N 3.4Å; E339-S341 VanDerWaalsContact C-N 3.33Å; E339-S341 PolarHBondContact O-N 3.45Å; E339-K342 PolarHBondContact O-N 2.89Å; E339-L343 HydrophobicContact CG-CD1 4.43Å; E339-L343 WeakPolarHBondContact O-CB 3.24Å; E339-L343 WeakPolarHBondContact O-CG 3.43Å; E339-L343 PolarHBondContact O-N 2.92Å
340I63.1Low59.7Low72 Ų72102.1 Ų102.137%0.36952%0.517SS..Hα-helixtrans-58.2-43.9170.6-67.3-84.6000111Y336 L343 C344Y336-I340 HydrophobicContact CD1-CG1 3.92Å; Y336-I340 HydrophobicContact CE1-CD1 3.85Å; Y336-I340 HydrophobicContact CE1-CG1 3.64Å; Y336-I340 WeakPolarHBondContact O-CG1 3.49Å; Y336-I340 PolarHBondContact O-N 2.94Å; I340-L343 PolarHBondContact O-N 3.44Å; I340-C344 WeakPolarHBondContact O-CB 3.39Å; I340-C344 PolarHBondContact O-N 3.27Å
341S64.6Low59.5Low79 Ų79100 Ų10055%0.55251%0.505SS*.Hα-helixtrans-63.8-42.9178.4-173.90000112.3D337 I338 E339 C344 A345D337-S341 WeakPolarHBondContact O-CB 3.44Å; D337-S341 PolarHBondContact O-N 3.27Å; I338-S341 PolarHBondContact O-N 2.98Å; E339-S341 VanDerWaalsContact C-N 3.33Å; E339-S341 PolarHBondContact O-N 3.45Å; S341-C344 PolarHBondContact O-N 3.41Å; S341-A345 PolarHBondContact O-N 3.34Å
342K67.4Low58.9Low142 Ų142103.4 Ų103.462%0.61752%0.524SS*.Hα-helixtrans-61.4-44.2174-73175.1-178.1173.10111.8I338 E339 C344 A345 Q346I338-K342 HydrophobicContact CG2-CD 4.41Å; I338-K342 WeakPolarHBondContact O-CG 3.5Å; I338-K342 PolarHBondContact O-N 3.43Å; E339-K342 PolarHBondContact O-N 2.89Å; K342-C344 PolarHBondContact O-N 3.28Å; K342-A345 PolarHBondContact O-N 2.98Å; K342-Q346 WeakPolarHBondContact O-CB 3.45Å; K342-Q346 PolarHBondContact O-N 3.08Å
343L55.3Low58.4Low77 Ų77104.5 Ų104.540%0.40353%0.529SS..Hα-helixtrans-62-41.7175.8-78.2161.8000112E339 I340 Q346 K347E339-L343 HydrophobicContact CG-CD1 4.43Å; E339-L343 WeakPolarHBondContact O-CB 3.24Å; E339-L343 WeakPolarHBondContact O-CG 3.43Å; E339-L343 PolarHBondContact O-N 2.92Å; I340-L343 PolarHBondContact O-N 3.44Å; L343-Q346 PolarHBondContact O-N 3.36Å; L343-K347 WeakPolarHBondContact O-CB 3.28Å; L343-K347 WeakPolarHBondContact O-CG 3.45Å; L343-K347 PolarHBondContact O-N 2.87Å
344C57.3Low57.8Low67 Ų67100.3 Ų100.345%0.45352%0.52SS..Hα-helixtrans-63.8-43.8174.7-91.30000112.5I340 S341 K342 Q346 K347 N348I340-C344 WeakPolarHBondContact O-CB 3.39Å; I340-C344 PolarHBondContact O-N 3.27Å; S341-C344 PolarHBondContact O-N 3.41Å; K342-C344 PolarHBondContact O-N 3.28Å; C344-Q346 PolarHBondContact O-N 3.35Å; C344-K347 PolarHBondContact O-N 3.39Å; C344-N348 PolarHBondContact O-N 3.01Å; C344-N348 PolarHBondContact O-ND2 2.9Å
345A57.9Low57.2Low54 Ų54100 Ų10045%0.44651%0.514SS..Hα-helixtrans-61.6-43.417500000111.6S341 K342 N348 V349S341-A345 PolarHBondContact O-N 3.34Å; K342-A345 PolarHBondContact O-N 2.98Å; A345-N348 PolarHBondContact O-N 3.03Å; A345-V349 WeakPolarHBondContact O-CG2 3.48Å; A345-V349 PolarHBondContact O-N 3.14Å
346Q56.3Low56.9Low111 Ų111101.6 Ų101.652%0.51952%0.52SS..Hα-helixtrans-66.5-38.7178.1-158.41799.900112.2K342 L343 C344 V349 K350K342-Q346 WeakPolarHBondContact O-CB 3.45Å; K342-Q346 PolarHBondContact O-N 3.08Å; L343-Q346 PolarHBondContact O-N 3.36Å; C344-Q346 PolarHBondContact O-N 3.35Å; Q346-V349 PolarHBondContact O-N 3.48Å; Q346-K350 WeakPolarHBondContact O-CB 3.49Å; Q346-K350 WeakPolarHBondContact O-CG 3.5Å; Q346-K350 PolarHBondContact O-N 3.02Å
347K51.8Low56.9Low150 Ų150104.5 Ų104.565%0.65253%0.534SS*.Hα-helixtrans-60.8-42.7171.1-80179178.8176.30111.4L343 C344 K350 K351L343-K347 WeakPolarHBondContact O-CB 3.28Å; L343-K347 WeakPolarHBondContact O-CG 3.45Å; L343-K347 PolarHBondContact O-N 2.87Å; C344-K347 PolarHBondContact O-N 3.39Å; K347-K350 PolarHBondContact O-N 2.98Å; K347-K351 WeakPolarHBondContact O-CB 3.48Å; K347-K351 PolarHBondContact O-N 3.33Å
348N51.3Low57.3Low99 Ų99104.6 Ų104.653%0.52953%0.532SS..Hα-helixtrans-66.4-42177.8-76.6-25.6000112.7C344 A345 K351 L352C344-N348 PolarHBondContact O-N 3.01Å; C344-N348 PolarHBondContact O-ND2 2.9Å; A345-N348 PolarHBondContact O-N 3.03Å; N348-K351 WeakPolarHBondContact O-CB 3.29Å; N348-K351 PolarHBondContact O-N 3.25Å; N348-L352 PolarHBondContact O-N 3.09Å
349V53.4Low57.5Low86 Ų86107.1 Ų107.152%0.52154%0.539SS..Hα-helixtrans-64.1-44.8175.2173.20000111.1A345 Q346 K351 L352 L353A345-V349 WeakPolarHBondContact O-CG2 3.48Å; A345-V349 PolarHBondContact O-N 3.14Å; Q346-V349 PolarHBondContact O-N 3.48Å; V349-K351 VanDerWaalsContact C-N 3.3Å; V349-K351 PolarHBondContact O-N 3.41Å; V349-L352 PolarHBondContact O-N 3.38Å; V349-L353 HydrophobicContact CG1-CD1 3.86Å; V349-L353 WeakPolarHBondContact O-CB 3.36Å; V349-L353 PolarHBondContact O-N 3.37Å
350K48.4Very low58.1Low125 Ų125107.9 Ų107.954%0.54354%0.543SS..Hα-helixtrans-57.7-42.5172.8-78.6-179.7178.31780111.2Q346 K347 L353 C354Q346-K350 WeakPolarHBondContact O-CB 3.49Å; Q346-K350 WeakPolarHBondContact O-CG 3.5Å; Q346-K350 PolarHBondContact O-N 3.02Å; K347-K350 PolarHBondContact O-N 2.98Å; K350-L353 PolarHBondContact O-N 3.47Å; K350-C354 WeakPolarHBondContact O-CB 3.26Å; K350-C354 PolarHBondContact O-N 2.97Å; K350-C354 PolarHBondContact O-SG 3.28Å
351K48.3Very low58.8Low139 Ų139107.1 Ų107.160%0.60454%0.539SS*.Hα-helixtrans-63.3-42.6176.8-166.8174.6-176.9178.40112.1K347 N348 V349 C354 L355K347-K351 WeakPolarHBondContact O-CB 3.48Å; K347-K351 PolarHBondContact O-N 3.33Å; N348-K351 WeakPolarHBondContact O-CB 3.29Å; N348-K351 PolarHBondContact O-N 3.25Å; V349-K351 VanDerWaalsContact C-N 3.3Å; V349-K351 PolarHBondContact O-N 3.41Å; K351-C354 PolarHBondContact O-N 3.5Å; K351-L355 HydrophobicContact CG-CD1 4.37Å; K351-L355 WeakPolarHBondContact O-CB 3.3Å; K351-L355 VanDerWaalsContact O-CG 3.29Å; K351-L355 WeakPolarHBondContact O-CG 3.28Å; K351-L355 PolarHBondContact O-N 2.87Å
352L42.6Very low59.5Low126 Ų126107.2 Ų107.266%0.6653%0.529SS*.Hα-helixtrans-65.7-41.5175.9-117.1116.6000112.6N348 V349 L355 K356N348-L352 PolarHBondContact O-N 3.09Å; V349-L352 PolarHBondContact O-N 3.38Å; L352-L355 PolarHBondContact O-N 3.38Å; L352-K356 WeakPolarHBondContact O-CB 3.34Å; L352-K356 PolarHBondContact O-N 3.24Å
353L46.5Very low60.3Low119 Ų119105.1 Ų105.162%0.62353%0.525SS*.Hα-helixtrans-63.1-42.6174-102.7134.1000111.7V349 K350 K356 K357V349-L353 HydrophobicContact CG1-CD1 3.86Å; V349-L353 WeakPolarHBondContact O-CB 3.36Å; V349-L353 PolarHBondContact O-N 3.37Å; K350-L353 PolarHBondContact O-N 3.47Å; L353-K356 PolarHBondContact O-N 3.24Å; L353-K357 VanDerWaalsContact O-CB 3.26Å; L353-K357 WeakPolarHBondContact O-CB 3.49Å; L353-K357 PolarHBondContact O-N 2.95Å
354C54Low61.7Low84 Ų84106.4 Ų106.457%0.56853%0.531SS*.Hα-helixtrans-61.2-45.9173.6-75.10000111.8K350 K351 K356 K357 E358K350-C354 WeakPolarHBondContact O-CB 3.26Å; K350-C354 PolarHBondContact O-N 2.97Å; K350-C354 PolarHBondContact O-SG 3.28Å; K351-C354 PolarHBondContact O-N 3.5Å; C354-K356 PolarHBondContact O-N 3.48Å; C354-K357 PolarHBondContact O-N 3.38Å; C354-E358 WeakPolarHBondContact O-CB 3.46Å; C354-E358 PolarHBondContact O-N 2.94Å
355L55.3Low63Low90 Ų90103.6 Ų103.647%0.47151%0.512SS..Hα-helixtrans-63.3-39.6177-74.8166.5000112.4K351 L352 E358 K359K351-L355 HydrophobicContact CG-CD1 4.37Å; K351-L355 WeakPolarHBondContact O-CB 3.3Å; K351-L355 VanDerWaalsContact O-CG 3.29Å; K351-L355 WeakPolarHBondContact O-CG 3.28Å; K351-L355 PolarHBondContact O-N 2.87Å; L352-L355 PolarHBondContact O-N 3.38Å; L355-E358 PolarHBondContact O-N 3.21Å; L355-K359 PolarHBondContact O-N 3.27Å; L355-K359 VanDerWaalsContact O-N 3.12Å
356K58.5Low64.4Low133 Ų133102.9 Ų102.958%0.57850%0.499SS*.Hα-helixtrans-68.8-42.9176.4-168.7173.4-178.5-178.80111.3L352 L353 C354 E358 K359 H360L352-K356 WeakPolarHBondContact O-CB 3.34Å; L352-K356 PolarHBondContact O-N 3.24Å; L353-K356 PolarHBondContact O-N 3.24Å; C354-K356 PolarHBondContact O-N 3.48Å; K356-E358 VanDerWaalsContact C-N 3.27Å; K356-E358 PolarHBondContact O-N 3.39Å; K356-K359 PolarHBondContact O-N 3.45Å; K356-H360 PolarHBondContact O-CD2 2.89Å; K356-H360 PolarHBondContact O-N 3.11Å; K356-H360 VanDerWaalsContact O-N 3.09Å
357K61.4Low66Low164 Ų16499.7 Ų99.771%0.71349%0.492SS*.Hα-helixtrans-58.9-39.9174.2-167.5173.5-177.7176.70110.8L353 C354 L361L353-K357 VanDerWaalsContact O-CB 3.26Å; L353-K357 WeakPolarHBondContact O-CB 3.49Å; L353-K357 PolarHBondContact O-N 2.95Å; C354-K357 PolarHBondContact O-N 3.38Å; K357-L361 WeakPolarHBondContact O-CB 3.26Å; K357-L361 PolarHBondContact O-N 2.97Å; K357-L361 VanDerWaalsContact O-N 3.08Å
358E72Confident67.7Low91 Ų9195.7 Ų95.743%0.42548%0.48SS..Hα-helixtrans-65-43.9176.6-161.9-173.6157.500112.5C354 L355 K356 L361 K362C354-E358 WeakPolarHBondContact O-CB 3.46Å; C354-E358 PolarHBondContact O-N 2.94Å; L355-E358 PolarHBondContact O-N 3.21Å; K356-E358 VanDerWaalsContact C-N 3.27Å; K356-E358 PolarHBondContact O-N 3.39Å; E358-L361 PolarHBondContact O-N 3.38Å; E358-K362 VanDerWaalsContact O-CG 3.26Å; E358-K362 WeakPolarHBondContact O-CG 3.45Å; E358-K362 PolarHBondContact O-N 2.92Å; E358-K362 WeakPolarHBondContact OE1-CE 3.37Å; E358-K362 IonicContact OE1-NZ 3.39Å; E358-K362 PolarHBondContact OE1-NZ 3.34Å
359K75.5Confident69.6Low151 Ų15191.2 Ų91.266%0.65746%0.456SS*.Hα-helixtrans-63.5-47.9177.2-73.8-177-178.8-178.70112.9L355 K356 L361 K362 N363L355-K359 PolarHBondContact O-N 3.27Å; L355-K359 VanDerWaalsContact O-N 3.12Å; K356-K359 PolarHBondContact O-N 3.45Å; K359-L361 VanDerWaalsContact C-N 3.28Å; K359-L361 PolarHBondContact O-N 3.32Å; K359-K362 PolarHBondContact O-N 3.43Å; K359-N363 PolarHBondContact O-N 2.96Å; K359-N363 VanDerWaalsContact O-N 3.11Å
360H79.4Confident71.4Confident107 Ų10792.7 Ų92.750%0.49546%0.456SS..Hα-helixtrans-60.3-41.4177.6-75.5-68.3000111.5K356 N363 I364K356-H360 PolarHBondContact O-CD2 2.89Å; K356-H360 PolarHBondContact O-N 3.11Å; K356-H360 VanDerWaalsContact O-N 3.09Å; H360-N363 PolarHBondContact O-N 3.48Å; H360-I364 WeakPolarHBondContact O-CG1 3.38Å; H360-I364 PolarHBondContact O-N 3.3Å
361L77.6Confident73.6Confident55 Ų5593.2 Ų93.229%0.28846%0.461SS..Hα-helixtrans-63.9-44.6178.4-16661.8000112.4Y311 K357 E358 K359 N363 I364 I365Y311-L361 HydrophobicContact CD1-CD2 3.95Å; Y311-L361 HydrophobicContact CD2-CD2 4.21Å; Y311-L361 HydrophobicContact CE1-CD1 3.56Å; Y311-L361 HydrophobicContact CE1-CD2 3.53Å; Y311-L361 HydrophobicContact CE1-CG 3.83Å; Y311-L361 HydrophobicContact CE2-CD2 3.79Å; Y311-L361 HydrophobicContact CE2-CG 4.09Å; Y311-L361 HydrophobicContact CG-CD2 4.32Å; Y311-L361 VanDerWaalsContact CZ-CD2 3.46Å; Y311-L361 VanDerWaalsContact CZ-CG 3.47Å; Y311-L361 WeakPolarHBondContact OH-CD1 3.49Å; Y311-L361 VanDerWaalsContact OH-CG 3.28Å; Y311-L361 WeakPolarHBondContact OH-CG 3.47Å; K357-L361 WeakPolarHBondContact O-CB 3.26Å; K357-L361 PolarHBondContact O-N 2.97Å; K357-L361 VanDerWaalsContact O-N 3.08Å; E358-L361 PolarHBondContact O-N 3.38Å; K359-L361 VanDerWaalsContact C-N 3.28Å; K359-L361 PolarHBondContact O-N 3.32Å; L361-N363 VanDerWaalsContact C-N 3.29Å; L361-N363 PolarHBondContact O-N 3.28Å; L361-I364 PolarHBondContact O-N 3.38Å; L361-I365 HydrophobicContact CG-CD1 4.21Å; L361-I365 WeakPolarHBondContact O-CD1 3.29Å; L361-I365 VanDerWaalsContact O-CG1 3.26Å; L361-I365 WeakPolarHBondContact O-CG1 3.49Å; L361-I365 PolarHBondContact O-N 3.07Å
362K80Confident75.7Confident81 Ų8192 Ų9235%0.35246%0.456SS..Hα-helixtrans-56.9-42.1174.3-73-179177.8167.80111.9W304 E358 K359 I365 H366W304-K362 HydrophobicContact CE3-CG 4.44Å; W304-K362 HydrophobicContact CH2-CB 3.71Å; W304-K362 HydrophobicContact CH2-CD 4.14Å; W304-K362 HydrophobicContact CH2-CG 3.52Å; W304-K362 HydrophobicContact CZ2-CD 4.45Å; W304-K362 HydrophobicContact CZ2-CG 4.29Å; W304-K362 HydrophobicContact CZ3-CB 4.14Å; W304-K362 HydrophobicContact CZ3-CD 4.41Å; W304-K362 HydrophobicContact CZ3-CG 3.6Å; E358-K362 VanDerWaalsContact O-CG 3.26Å; E358-K362 WeakPolarHBondContact O-CG 3.45Å; E358-K362 PolarHBondContact O-N 2.92Å; E358-K362 WeakPolarHBondContact OE1-CE 3.37Å; E358-K362 IonicContact OE1-NZ 3.39Å; E358-K362 PolarHBondContact OE1-NZ 3.34Å; K359-K362 PolarHBondContact O-N 3.43Å; K362-I365 PolarHBondContact O-N 3.04Å; K362-H366 WeakPolarHBondContact O-CB 3.28Å; K362-H366 PolarHBondContact O-N 3.39Å
363N83.7Confident78.2Confident99 Ų9988.4 Ų88.453%0.52943%0.434SS..Hα-helixtrans-65.2-41.7177-69.7-9.6000112.3K359 H360 L361 H366 A367K359-N363 PolarHBondContact O-N 2.96Å; K359-N363 VanDerWaalsContact O-N 3.11Å; H360-N363 PolarHBondContact O-N 3.48Å; L361-N363 VanDerWaalsContact C-N 3.29Å; L361-N363 PolarHBondContact O-N 3.28Å; N363-H366 PolarHBondContact O-N 2.93Å; N363-A367 PolarHBondContact O-N 3.49Å
364I85.3Confident80.5Confident103 Ų10386.3 Ų86.353%0.52842%0.423SS..Hα-helixtrans-63.3-45.4176-66.7165.9000110.6H360 L361 H366 A367 V368H360-I364 WeakPolarHBondContact O-CG1 3.38Å; H360-I364 PolarHBondContact O-N 3.3Å; L361-I364 PolarHBondContact O-N 3.38Å; I364-H366 VanDerWaalsContact C-N 3.32Å; I364-H366 PolarHBondContact O-N 3.16Å; I364-A367 WeakPolarHBondContact O-CB 3.49Å; I364-A367 PolarHBondContact O-N 3.22Å; I364-V368 WeakPolarHBondContact O-CG2 3.44Å; I364-V368 PolarHBondContact O-N 3.44Å
365I84.4Confident82.4Confident8 Ų886.9 Ų86.94%0.04142%0.42CS..Hα-helixtrans-59.2-45.8177.1-65.9158000110.5T294 W304 F307 Y311 L361 K362 A367 V368 C369T294-I365 HydrophobicContact CG2-CG2 4.16Å; W304-I365 HydrophobicContact CE3-CD1 4.43Å; W304-I365 HydrophobicContact CZ3-CB 4.43Å; W304-I365 HydrophobicContact CZ3-CD1 3.68Å; W304-I365 HydrophobicContact CZ3-CG2 4.26Å; F307-I365 HydrophobicContact CB-CD1 4.32Å; F307-I365 HydrophobicContact CD1-CG1 4.46Å; F307-I365 HydrophobicContact CD1-CG2 3.83Å; F307-I365 HydrophobicContact CD2-CG2 3.92Å; F307-I365 HydrophobicContact CE1-CG2 3.63Å; F307-I365 HydrophobicContact CE2-CG2 3.71Å; F307-I365 HydrophobicContact CG-CD1 4.42Å; F307-I365 HydrophobicContact CG-CG2 3.99Å; F307-I365 HydrophobicContact CZ-CG2 3.57Å; Y311-I365 HydrophobicContact CE2-CD1 3.63Å; Y311-I365 HydrophobicContact CE2-CG1 4.4Å; Y311-I365 WeakPolarHBondContact OH-CD1 3.22Å; Y311-I365 WeakPolarHBondContact OH-CG1 3.38Å; L361-I365 HydrophobicContact CG-CD1 4.21Å; L361-I365 WeakPolarHBondContact O-CD1 3.29Å; L361-I365 VanDerWaalsContact O-CG1 3.26Å; L361-I365 WeakPolarHBondContact O-CG1 3.49Å; L361-I365 PolarHBondContact O-N 3.07Å; K362-I365 PolarHBondContact O-N 3.04Å; I365-A367 VanDerWaalsContact C-N 3.33Å; I365-A367 PolarHBondContact O-N 3.47Å; I365-V368 PolarHBondContact O-N 2.92Å; I365-C369 PolarHBondContact O-N 3.5Å; I365-C369 PolarHBondContact O-SG 3.39Å
366H87Confident84.2Confident39 Ų3983.2 Ų83.218%0.18140%0.403CS..Hα-helixtrans-60.6-43177.4-175.969.9000111.7C291 T294 F295 K362 N363 I364 V368 C369 K370C291-H366 PolarHBondContact O-CE1 3.48Å; T294-H366 PolarHBondContact O-ND1 2.8Å; T294-H366 PolarHBondContact OG1-ND1 3.08Å; F295-H366 AromaticContact CD2-CE1 3.99Å; K362-H366 WeakPolarHBondContact O-CB 3.28Å; K362-H366 PolarHBondContact O-N 3.39Å; N363-H366 PolarHBondContact O-N 2.93Å; I364-H366 VanDerWaalsContact C-N 3.32Å; I364-H366 PolarHBondContact O-N 3.16Å; H366-V368 PolarHBondContact O-N 3.35Å; H366-C369 PolarHBondContact O-N 2.84Å; H366-K370 WeakPolarHBondContact O-CB 3.28Å; H366-K370 PolarHBondContact O-N 3.34Å
367A89.2Confident85.9Confident45 Ų4582.4 Ų82.437%0.37240%0.396SS..Hα-helixtrans-59.7-43.2175.200000112.2N363 I364 I365 K370 M371N363-A367 PolarHBondContact O-N 3.49Å; I364-A367 WeakPolarHBondContact O-CB 3.49Å; I364-A367 PolarHBondContact O-N 3.22Å; I365-A367 VanDerWaalsContact C-N 3.33Å; I365-A367 PolarHBondContact O-N 3.47Å; A367-K370 PolarHBondContact O-N 3.23Å; A367-M371 WeakPolarHBondContact O-CG 3.35Å; A367-M371 PolarHBondContact O-N 3.01Å
368V89.2Confident87.4Confident66 Ų6683.2 Ų83.240%0.440%0.395SS..Hα-helixtrans-63.6-43.4175.6172.90000111.5I364 I365 H366 K370 M371 K372I364-V368 WeakPolarHBondContact O-CG2 3.44Å; I364-V368 PolarHBondContact O-N 3.44Å; I365-V368 PolarHBondContact O-N 2.92Å; H366-V368 PolarHBondContact O-N 3.35Å; V368-K370 VanDerWaalsContact C-N 3.34Å; V368-K370 PolarHBondContact O-N 2.87Å; V368-M371 PolarHBondContact O-N 3.31Å; V368-K372 HydrophobicContact CG1-CD 4.44Å; V368-K372 WeakPolarHBondContact O-CG 3.43Å; V368-K372 PolarHBondContact O-N 2.97Å
369C89.2Confident88.1Confident4 Ų484.9 Ų84.93%0.02740%0.401CS..Hα-helixtrans-61.2-41.9175.4-73.90000111.9I365 H366 K372 Y373I365-C369 PolarHBondContact O-N 3.5Å; I365-C369 PolarHBondContact O-SG 3.39Å; H366-C369 PolarHBondContact O-N 2.84Å; C369-K372 PolarHBondContact O-N 3.48Å; C369-Y373 PolarHBondContact O-N 3.34Å
370K92.3Very high88.8Confident118 Ų11880 Ų8051%0.51338%0.38SS..Hα-helixtrans-62.8-43.3175.6-172176.5-178.9179.50111.8H366 A367 V368 Y373 L374H366-K370 WeakPolarHBondContact O-CB 3.28Å; H366-K370 PolarHBondContact O-N 3.34Å; A367-K370 PolarHBondContact O-N 3.23Å; V368-K370 VanDerWaalsContact C-N 3.34Å; V368-K370 PolarHBondContact O-N 2.87Å; K370-Y373 PolarHBondContact O-N 2.9Å; K370-L374 WeakPolarHBondContact O-CG 3.41Å; K370-L374 PolarHBondContact O-N 3.46Å
371M94.1Very high89.2Confident135 Ų13579.2 Ų79.267%0.66538%0.376SS*.Hα-helixtrans-60.6-44.8174-72.7-177.4-179.700111.8A367 V368 Y373 L374 L375A367-M371 WeakPolarHBondContact O-CG 3.35Å; A367-M371 PolarHBondContact O-N 3.01Å; V368-M371 PolarHBondContact O-N 3.31Å; M371-Y373 PolarHBondContact O-N 3.45Å; M371-L374 PolarHBondContact O-N 3.33Å; M371-L375 WeakPolarHBondContact O-CB 3.47Å; M371-L375 PolarHBondContact O-N 3Å
372K93Very high89.4Confident114 Ų11480.1 Ų80.150%0.49638%0.378SS..Hα-helixtrans-60.6-42.4175.9-74180178.3-179.20112.3V368 C369 L375 A376V368-K372 HydrophobicContact CG1-CD 4.44Å; V368-K372 WeakPolarHBondContact O-CG 3.43Å; V368-K372 PolarHBondContact O-N 2.97Å; C369-K372 PolarHBondContact O-N 3.48Å; K372-L375 PolarHBondContact O-N 3.27Å; K372-A376 WeakPolarHBondContact O-CB 3.15Å; K372-A376 PolarHBondContact O-N 3.24Å
373Y94.2Very high89.5Confident50 Ų5078 Ų7820%0.19637%0.37CS..Hα-helixtrans-60.5-47.8174.7161.5-103.6000112.1L284 L288 C369 K370 M371 L375 A376 R377L284-Y373 HydrophobicContact CD1-CD2 4.03Å; L284-Y373 HydrophobicContact CD1-CE2 3.87Å; L288-Y373 HydrophobicContact CB-CD2 4.01Å; L288-Y373 HydrophobicContact CB-CE2 4.15Å; L288-Y373 HydrophobicContact CD1-CD2 4.04Å; L288-Y373 HydrophobicContact CD1-CE2 3.68Å; L288-Y373 HydrophobicContact CG-CE2 4.43Å; C369-Y373 PolarHBondContact O-N 3.34Å; K370-Y373 PolarHBondContact O-N 2.9Å; M371-Y373 PolarHBondContact O-N 3.45Å; Y373-L375 VanDerWaalsContact C-N 3.33Å; Y373-L375 PolarHBondContact O-N 3.4Å; Y373-A376 PolarHBondContact O-N 2.91Å; Y373-R377 WeakPolarHBondContact O-CB 3.4Å; Y373-R377 PolarHBondContact O-N 3.39Å
374L95.2Very high89.1Confident76 Ų7681 Ų8140%0.39837%0.374SS..Hα-helixtrans-62.8-39.9178.6-69.6174.3000111.9K370 M371 R377 R378K370-L374 WeakPolarHBondContact O-CG 3.41Å; K370-L374 PolarHBondContact O-N 3.46Å; M371-L374 PolarHBondContact O-N 3.33Å; L374-R377 PolarHBondContact O-N 2.97Å; L374-R378 WeakPolarHBondContact O-CG 3.47Å; L374-R378 PolarHBondContact O-N 2.98Å
375L94.5Very high88.6Confident95 Ų9581.5 Ų81.550%0.49737%0.374SS..Hα-helixtrans-64.2-45.9174.8-173.170.9000111.5M371 K372 Y373 R377 R378 K379M371-L375 WeakPolarHBondContact O-CB 3.47Å; M371-L375 PolarHBondContact O-N 3Å; K372-L375 PolarHBondContact O-N 3.27Å; Y373-L375 VanDerWaalsContact C-N 3.33Å; Y373-L375 PolarHBondContact O-N 3.4Å; L375-R377 VanDerWaalsContact C-N 3.3Å; L375-R377 PolarHBondContact O-N 3.15Å; L375-R378 PolarHBondContact O-N 3.26Å; L375-K379 WeakPolarHBondContact O-CG 3.48Å; L375-K379 PolarHBondContact O-N 2.93Å
376A93.4Very high87.8Confident14 Ų1484.4 Ų84.412%0.11639%0.389CS..Hα-helixtrans-62.1-38.1176.900000111.8L284 A287 K372 Y373 K379 F380L284-A376 HydrophobicContact CB-CB 4.49Å; L284-A376 HydrophobicContact CD1-CB 4.26Å; A287-A376 HydrophobicContact CB-CB 4.14Å; K372-A376 WeakPolarHBondContact O-CB 3.15Å; K372-A376 PolarHBondContact O-N 3.24Å; Y373-A376 PolarHBondContact O-N 2.91Å; A376-K379 PolarHBondContact O-N 3.12Å; A376-F380 WeakPolarHBondContact O-CB 3.47Å; A376-F380 PolarHBondContact O-N 3.45Å
377R94Very high87Confident115 Ų11587.3 Ų87.343%0.43440%0.399SS..Hα-helixtrans-63.9-46.7175.4-178.8177.6173.6178.2-3.3111.6L284 Y373 L374 L375 F380 Q381L284-R377 HydrophobicContact CD1-CB 3.91Å; Y373-R377 WeakPolarHBondContact O-CB 3.4Å; Y373-R377 PolarHBondContact O-N 3.39Å; L374-R377 PolarHBondContact O-N 2.97Å; L375-R377 VanDerWaalsContact C-N 3.3Å; L375-R377 PolarHBondContact O-N 3.15Å; R377-F380 PolarHBondContact O-N 2.93Å; R377-Q381 WeakPolarHBondContact O-CG 3.14Å; R377-Q381 PolarHBondContact O-N 2.98Å
378R91.3Very high86.2Confident181 Ų18188.1 Ų88.168%0.68340%0.398SS*.Hα-helixtrans-61.2-47.1175.6-73-177.9-172.1177.22.5111.5L374 L375 F380 Q381 K382L374-R378 WeakPolarHBondContact O-CG 3.47Å; L374-R378 PolarHBondContact O-N 2.98Å; L375-R378 PolarHBondContact O-N 3.26Å; R378-F380 VanDerWaalsContact C-N 3.35Å; R378-F380 PolarHBondContact O-N 2.78Å; R378-Q381 PolarHBondContact O-N 2.92Å; R378-K382 WeakPolarHBondContact O-CB 3.26Å; R378-K382 PolarHBondContact O-N 3.43Å
379K88.2Confident85.8Confident127 Ų12789.5 Ų89.555%0.55241%0.406SS*.Hα-helixtrans-58-44.9175.7-75.2-173.6177.6-1710111.9L375 A376 K382 I383L375-K379 WeakPolarHBondContact O-CG 3.48Å; L375-K379 PolarHBondContact O-N 2.93Å; A376-K379 PolarHBondContact O-N 3.12Å; K379-K382 PolarHBondContact O-N 3.38Å; K379-I383 WeakPolarHBondContact O-CD1 3.25Å; K379-I383 WeakPolarHBondContact O-CG1 3.39Å; K379-I383 PolarHBondContact O-N 3.45Å
380F89.9Confident85.6Confident48 Ų4897.3 Ų97.321%0.21144%0.435CS..Hα-helixtrans-65.7-39.6178-179.5-109.5000112.9A280 A281 L284 A376 R377 R378 R384A280-F380 HydrophobicContact CB-CD2 4.16Å; A281-F380 HydrophobicContact CB-CD2 4.13Å; A281-F380 HydrophobicContact CB-CE2 3.66Å; A281-F380 HydrophobicContact CB-CZ 4.38Å; L284-F380 HydrophobicContact CD2-CB 4.02Å; L284-F380 HydrophobicContact CD2-CD1 3.62Å; L284-F380 HydrophobicContact CD2-CE1 4.3Å; L284-F380 HydrophobicContact CD2-CG 3.88Å; A376-F380 WeakPolarHBondContact O-CB 3.47Å; A376-F380 PolarHBondContact O-N 3.45Å; R377-F380 PolarHBondContact O-N 2.93Å; R378-F380 VanDerWaalsContact C-N 3.35Å; R378-F380 PolarHBondContact O-N 2.78Å; F380-R384 WeakPolarHBondContact O-CG 3.47Å; F380-R384 PolarHBondContact O-N 3.44Å
381Q87.9Confident85Confident91 Ų9192.7 Ų92.743%0.42542%0.416SS..Hα-helixtrans-62.8-45.9174.1-75.2174.9-41.700111.3R377 R378 I383 R384R377-Q381 WeakPolarHBondContact O-CG 3.14Å; R377-Q381 PolarHBondContact O-N 2.98Å; R378-Q381 PolarHBondContact O-N 2.92Å; Q381-I383 PolarHBondContact O-N 3.08Å; Q381-R384 WeakPolarHBondContact O-CB 3.38Å; Q381-R384 PolarHBondContact O-N 2.98Å
382K82.2Confident84.5Confident74 Ų7491.6 Ų91.632%0.32241%0.411SS..Hα-helixtrans-61.3-40.1178.9-171.9164.5-179.3166.60113R378 K379 R384 E385 D391 E394R378-K382 WeakPolarHBondContact O-CB 3.26Å; R378-K382 PolarHBondContact O-N 3.43Å; K379-K382 PolarHBondContact O-N 3.38Å; K382-R384 PolarHBondContact O-N 3.02Å; K382-E385 WeakPolarHBondContact O-CB 3.32Å; K382-E385 PolarHBondContact O-N 3.39Å; K382-D391 WeakPolarHBondContact CE-OD1 3.43Å; K382-D391 IonicContact NZ-OD1 2.58Å; K382-D391 PolarHBondContact NZ-OD1 2.96Å; K382-E394 WeakPolarHBondContact CE-OE2 3.47Å; K382-E394 IonicContact NZ-OE2 3.53Å; K382-E394 PolarHBondContact NZ-OE2 2.71Å
383I81.3Confident84.3Confident37 Ų3791.2 Ų91.219%0.1941%0.414CS..Hα-helixtrans-70-15.2178.1-61.4161.7000112.4R276 Q277 A280 K379 Q381R276-I383 HydrophobicContact CB-CG2 4.44Å; Q277-I383 HydrophobicContact CB-CG2 4.43Å; Q277-I383 HydrophobicContact CG-CG2 3.62Å; Q277-I383 PolarHBondContact NE2-O 2.69Å; A280-I383 HydrophobicContact CB-CD1 3.37Å; K379-I383 WeakPolarHBondContact O-CD1 3.25Å; K379-I383 WeakPolarHBondContact O-CG1 3.39Å; K379-I383 PolarHBondContact O-N 3.45Å; Q381-I383 PolarHBondContact O-N 3.08Å
384R76.3Confident84Confident160 Ų16092.3 Ų92.360%0.60442%0.421SS*.Hα-helixtrans-81.7-19.6171.3-70.1177.560.9-169.3-4.1112.8F380 Q381 K382F380-R384 WeakPolarHBondContact O-CG 3.47Å; F380-R384 PolarHBondContact O-N 3.44Å; Q381-R384 WeakPolarHBondContact O-CB 3.38Å; Q381-R384 PolarHBondContact O-N 2.98Å; K382-R384 PolarHBondContact O-N 3.02Å
385E73.3Confident83.6Confident115 Ų11593.6 Ų93.654%0.53742%0.424SS..SBendtrans-73.8153.9173.7-62.7172.8-18000109.7K382K382-E385 WeakPolarHBondContact O-CB 3.32Å; K382-E385 PolarHBondContact O-N 3.39Å
386L69.1Low83.5Confident69 Ų6997.1 Ų97.136%0.36143%0.433SS..PPolyproline II helixtrans-67.2141.9175.4-74.8158.5000108.7Q267 D388Q267-L386 HydrophobicContact CB-CD1 3.98Å; Q267-L386 HydrophobicContact CB-CD2 4.33Å; Q267-L386 HydrophobicContact CG-CD1 4.02Å; L386-D388 PolarHBondContact O-N 3.5Å; L386-D388 VanDerWaalsContact O-N 3.16Å
387Y69.3Low83.5Confident99 Ų9999.3 Ų99.339%0.38845%0.447SS..PPolyproline II helixtrans-63.9118.3-176.9-89.3-122.7000110.3H273 R276 D391H273-Y387 AromaticContact CD2-CE2 3.89Å; H273-Y387 AromaticContact CD2-CZ 3.82Å; R276-Y387 PolarHBondContact NE-OH 3.37Å; Y387-D391 WeakPolarHBondContact CA-OD2 3.39Å
388D72.2Confident83.4Confident63 Ų6398.6 Ų98.634%0.33745%0.449SS..  trans-108.6160.9-173.6-167.5-7.1000110.2L386 R390 D391L386-D388 PolarHBondContact O-N 3.5Å; L386-D388 VanDerWaalsContact O-N 3.16Å; D388-R390 HydrophobicContact CB-CB 4.4Å; D388-R390 PolarHBondContact O-N 3.41Å; D388-R390 VanDerWaalsContact O-N 3.13Å; D388-R390 IonicContact OD2-CZ 3.84Å; D388-R390 IonicContact OD2-NE 2.73Å; D388-R390 PolarHBondContact OD2-NE 2.76Å; D388-R390 IonicContact OD2-NH2 3.14Å; D388-R390 PolarHBondContact OD2-NH2 3.09Å; D388-D391 PolarHBondContact N-OD2 3.47Å; D388-D391 WeakPolarHBondContact O-CB 3.33Å; D388-D391 PolarHBondContact O-N 3.37Å
389V81.8Confident83.6Confident95 Ų9592 Ų9258%0.57644%0.436SS*.Hα-helixtrans-55.9-30172.7-177.10000110.7D391 I392 I393V389-D391 PolarHBondContact O-N 2.74Å; V389-I392 WeakPolarHBondContact O-CB 3.18Å; V389-I392 PolarHBondContact O-N 3.48Å; V389-I393 HydrophobicContact CG1-CD1 4.31Å; V389-I393 WeakPolarHBondContact O-CG1 3.48Å; V389-I393 PolarHBondContact O-N 3.41Å
390R83Confident84Confident168 Ų16890.4 Ų90.463%0.63443%0.431SS*.Hα-helixtrans-56.7-32.4171.7-69.5-175.9-72.5-171.4-2.9113.5D388 I393 E394D388-R390 HydrophobicContact CB-CB 4.4Å; D388-R390 PolarHBondContact O-N 3.41Å; D388-R390 VanDerWaalsContact O-N 3.13Å; D388-R390 IonicContact OD2-CZ 3.84Å; D388-R390 IonicContact OD2-NE 2.73Å; D388-R390 PolarHBondContact OD2-NE 2.76Å; D388-R390 IonicContact OD2-NH2 3.14Å; D388-R390 PolarHBondContact OD2-NH2 3.09Å; R390-I393 PolarHBondContact O-N 2.92Å; R390-E394 WeakPolarHBondContact O-CB 3.5Å; R390-E394 PolarHBondContact O-N 3Å
391D81.5Confident84.2Confident20 Ų2092.7 Ų92.711%0.10745%0.445CS..Hα-helixtrans-71.9-33.7176.5-62.3-37.5000111.7K382 Y387 D388 V389 E394 Q395K382-D391 WeakPolarHBondContact CE-OD1 3.43Å; K382-D391 IonicContact NZ-OD1 2.58Å; K382-D391 PolarHBondContact NZ-OD1 2.96Å; Y387-D391 WeakPolarHBondContact CA-OD2 3.39Å; D388-D391 PolarHBondContact N-OD2 3.47Å; D388-D391 WeakPolarHBondContact O-CB 3.33Å; D388-D391 PolarHBondContact O-N 3.37Å; V389-D391 PolarHBondContact O-N 2.74Å; D391-E394 PolarHBondContact O-N 3.43Å; D391-Q395 WeakPolarHBondContact O-CB 3.5Å; D391-Q395 VanDerWaalsContact O-CG 3.27Å; D391-Q395 WeakPolarHBondContact O-CG 3.29Å; D391-Q395 PolarHBondContact O-N 3.07Å
392I83.5Confident84.5Confident112 Ų11293.5 Ų93.557%0.57445%0.452SS*.Hα-helixtrans-66.2-45.7173.9-56.4175.5000109.3V389 E394 Q395 Y396V389-I392 WeakPolarHBondContact O-CB 3.18Å; V389-I392 PolarHBondContact O-N 3.48Å; I392-E394 PolarHBondContact O-N 2.91Å; I392-Q395 PolarHBondContact O-N 2.97Å; I392-Y396 VanDerWaalsContact O-CB 3.32Å; I392-Y396 WeakPolarHBondContact O-CB 3.47Å; I392-Y396 PolarHBondContact O-N 3.16Å
393I88.8Confident85.1Confident106 Ų10695.8 Ų95.854%0.54447%0.465SS..Hα-helixtrans-62.8-41.7177-63168.2000110.9V389 R390 Y396 S397V389-I393 HydrophobicContact CG1-CD1 4.31Å; V389-I393 WeakPolarHBondContact O-CG1 3.48Å; V389-I393 PolarHBondContact O-N 3.41Å; R390-I393 PolarHBondContact O-N 2.92Å; I393-Y396 PolarHBondContact O-N 3.48Å; I393-S397 WeakPolarHBondContact O-CB 3.46Å; I393-S397 PolarHBondContact O-N 3.29Å; I393-S397 PolarHBondContact O-OG 3.22Å
394E86.7Confident85.7Confident74 Ų7497.6 Ų97.635%0.34647%0.474SS..Hα-helixtrans-66-42.1176.2-168.3-178.7-173.400112K382 R390 D391 I392 S397 Q398K382-E394 WeakPolarHBondContact CE-OE2 3.47Å; K382-E394 IonicContact NZ-OE2 3.53Å; K382-E394 PolarHBondContact NZ-OE2 2.71Å; R390-E394 WeakPolarHBondContact O-CB 3.5Å; R390-E394 PolarHBondContact O-N 3Å; D391-E394 PolarHBondContact O-N 3.43Å; I392-E394 PolarHBondContact O-N 2.91Å; E394-S397 WeakPolarHBondContact CA-OG 3.3Å; E394-S397 PolarHBondContact O-N 2.97Å; E394-S397 PolarHBondContact O-OG 3.35Å; E394-Q398 WeakPolarHBondContact O-CB 3.4Å; E394-Q398 VanDerWaalsContact O-CG 3.31Å; E394-Q398 WeakPolarHBondContact O-CG 3.47Å; E394-Q398 PolarHBondContact O-N 2.78Å; E394-Q398 PolarHBondContact OE1-NE2 3.48Å
395Q86.8Confident86.6Confident102 Ų10294.8 Ų94.848%0.47747%0.47SS..Hα-helixtrans-64.6-42.3175.9-76.6175.47.500111.8D391 I392 Q398 G399D391-Q395 WeakPolarHBondContact O-CB 3.5Å; D391-Q395 VanDerWaalsContact O-CG 3.27Å; D391-Q395 WeakPolarHBondContact O-CG 3.29Å; D391-Q395 PolarHBondContact O-N 3.07Å; I392-Q395 PolarHBondContact O-N 2.97Å; Q395-Q398 PolarHBondContact O-N 2.92Å; Q395-G399 PolarHBondContact O-N 3.41Å
396Y92.8Very high87.5Confident170 Ų17096.7 Ų96.767%0.66748%0.477SS*.Hα-helixtrans-62.4-48.1176.5-177.5-97.9000111.2I392 I393 Q398 G399 H400I392-Y396 VanDerWaalsContact O-CB 3.32Å; I392-Y396 WeakPolarHBondContact O-CB 3.47Å; I392-Y396 PolarHBondContact O-N 3.16Å; I393-Y396 PolarHBondContact O-N 3.48Å; Y396-Q398 PolarHBondContact O-N 3.47Å; Y396-G399 PolarHBondContact O-N 3.37Å; Y396-H400 VanDerWaalsContact O-CB 3.25Å; Y396-H400 WeakPolarHBondContact O-CB 3.29Å; Y396-H400 PolarHBondContact O-N 2.8Å
397S94.2Very high88.8Confident60 Ų6097.1 Ų97.142%0.4248%0.478SS..Hα-helixtrans-62.9-40.6178.357.70000112.9I393 E394 L401I393-S397 WeakPolarHBondContact O-CB 3.46Å; I393-S397 PolarHBondContact O-N 3.29Å; I393-S397 PolarHBondContact O-OG 3.22Å; E394-S397 WeakPolarHBondContact CA-OG 3.3Å; E394-S397 PolarHBondContact O-N 2.97Å; E394-S397 PolarHBondContact O-OG 3.35Å; S397-L401 VanDerWaalsContact O-CB 3.26Å; S397-L401 WeakPolarHBondContact O-CB 3Å; S397-L401 PolarHBondContact O-N 3.38Å
398Q92.3Very high90Very high100 Ų10097.2 Ų97.247%0.46748%0.481SS..Hα-helixtrans-66.4-42174.2-72.617811.700112.3E394 Q395 Y396 L401 N402E394-Q398 WeakPolarHBondContact O-CB 3.4Å; E394-Q398 VanDerWaalsContact O-CG 3.31Å; E394-Q398 WeakPolarHBondContact O-CG 3.47Å; E394-Q398 PolarHBondContact O-N 2.78Å; E394-Q398 PolarHBondContact OE1-NE2 3.48Å; Q395-Q398 PolarHBondContact O-N 2.92Å; Y396-Q398 PolarHBondContact O-N 3.47Å; Q398-L401 PolarHBondContact O-N 2.77Å; Q398-N402 WeakPolarHBondContact O-CB 3.29Å; Q398-N402 PolarHBondContact O-N 3.22Å; Q398-N402 PolarHBondContact O-ND2 3.07Å
399G93.9Very high91Very high41 Ų4195.8 Ų95.842%0.42348%0.481SS..Hα-helixtrans-62.7-47.6176.300000112Q395 Y396 N402 M403Q395-G399 PolarHBondContact O-N 3.41Å; Y396-G399 PolarHBondContact O-N 3.37Å; G399-N402 PolarHBondContact O-N 3.14Å; G399-M403 WeakPolarHBondContact O-CB 3.3Å; G399-M403 PolarHBondContact O-N 3.4Å
400H96.4Very high91.6Very high94 Ų9496.5 Ų96.544%0.43548%0.48SS..Hα-helixtrans-62.9-43.5177-174.5-101000111.8Y396 N402 M403 M404Y396-H400 VanDerWaalsContact O-CB 3.25Å; Y396-H400 WeakPolarHBondContact O-CB 3.29Å; Y396-H400 PolarHBondContact O-N 2.8Å; H400-N402 PolarHBondContact O-N 2.95Å; H400-M403 PolarHBondContact O-N 2.94Å; H400-M404 VanDerWaalsContact CE1-CE 3.45Å; H400-M404 WeakPolarHBondContact CE1-CE 3.35Å; H400-M404 WeakPolarHBondContact O-CB 3.31Å; H400-M404 PolarHBondContact O-N 3.36Å
401L94.5Very high92Very high97 Ų9795.4 Ų95.451%0.50848%0.482SS..Hα-helixtrans-60.8-46175.8-177.466.1000111.7S397 Q398 M403 M404 L405S397-L401 VanDerWaalsContact O-CB 3.26Å; S397-L401 WeakPolarHBondContact O-CB 3Å; S397-L401 PolarHBondContact O-N 3.38Å; Q398-L401 PolarHBondContact O-N 2.77Å; L401-M403 PolarHBondContact O-N 3.16Å; L401-M404 PolarHBondContact O-N 2.96Å; L401-L405 HydrophobicContact CG-CD1 4.21Å; L401-L405 WeakPolarHBondContact O-CB 3.25Å; L401-L405 VanDerWaalsContact O-CG 3.3Å; L401-L405 WeakPolarHBondContact O-CG 3.41Å; L401-L405 PolarHBondContact O-N 3.02Å
402N94.9Very high92.5Very high107 Ų107104.5 Ų104.557%0.57252%0.515SS*.Hα-helixtrans-63.5-40.8177.6-77.3-24.6000112.1Q398 G399 H400 L405 K406Q398-N402 WeakPolarHBondContact O-CB 3.29Å; Q398-N402 PolarHBondContact O-N 3.22Å; Q398-N402 PolarHBondContact O-ND2 3.07Å; G399-N402 PolarHBondContact O-N 3.14Å; H400-N402 PolarHBondContact O-N 2.95Å; N402-L405 PolarHBondContact O-N 3.31Å; N402-K406 WeakPolarHBondContact O-CB 3.42Å; N402-K406 PolarHBondContact O-N 3.03Å
403M94.6Very high92.6Very high122 Ų122110.3 Ų110.360%0.60154%0.536SS*.Hα-helixtrans-63.3-46.9175.4-175.9176.3178.200111.2G399 H400 L401 L405 K406 I407G399-M403 WeakPolarHBondContact O-CB 3.3Å; G399-M403 PolarHBondContact O-N 3.4Å; H400-M403 PolarHBondContact O-N 2.94Å; L401-M403 PolarHBondContact O-N 3.16Å; M403-L405 PolarHBondContact O-N 3.46Å; M403-K406 WeakPolarHBondContact O-CB 3.25Å; M403-K406 PolarHBondContact O-N 3.41Å; M403-K406 VanDerWaalsContact O-N 3.15Å; M403-I407 HydrophobicContact CE-CD1 4.25Å; M403-I407 HydrophobicContact CG-CD1 4.11Å; M403-I407 WeakPolarHBondContact O-CG1 3.44Å; M403-I407 PolarHBondContact O-N 3.07Å
404M94.2Very high92.8Very high76 Ų76110.5 Ų110.537%0.37454%0.536SS..Hα-helixtrans-61.6-41.8177.7-172.1-171.2-67.100112H400 L401 K406 I407 K408H400-M404 VanDerWaalsContact CE1-CE 3.45Å; H400-M404 WeakPolarHBondContact CE1-CE 3.35Å; H400-M404 WeakPolarHBondContact O-CB 3.31Å; H400-M404 PolarHBondContact O-N 3.36Å; L401-M404 PolarHBondContact O-N 2.96Å; M404-K406 VanDerWaalsContact C-N 3.32Å; M404-K406 PolarHBondContact O-N 3.45Å; M404-I407 PolarHBondContact O-N 3.13Å; M404-K408 WeakPolarHBondContact O-CG 3.47Å; M404-K408 PolarHBondContact O-N 2.89Å
405L93.9Very high93.1Very high100 Ų100112.4 Ų112.452%0.52455%0.546SS..Hα-helixtrans-63.2-38174.9-73.6172.7000111.9L401 N402 M403 G409L401-L405 HydrophobicContact CG-CD1 4.21Å; L401-L405 WeakPolarHBondContact O-CB 3.25Å; L401-L405 VanDerWaalsContact O-CG 3.3Å; L401-L405 WeakPolarHBondContact O-CG 3.41Å; L401-L405 PolarHBondContact O-N 3.02Å; N402-L405 PolarHBondContact O-N 3.31Å; M403-L405 PolarHBondContact O-N 3.46Å; L405-G409 PolarHBondContact O-N 3.39Å
406K94.1Very high93.5Very high155 Ų155113 Ų11367%0.67455%0.55SS*.Hα-helixtrans-66.5-43.2175.8-168.3176.5-178.9-177.10111.6N402 M403 M404 G409 I410N402-K406 WeakPolarHBondContact O-CB 3.42Å; N402-K406 PolarHBondContact O-N 3.03Å; M403-K406 WeakPolarHBondContact O-CB 3.25Å; M403-K406 PolarHBondContact O-N 3.41Å; M403-K406 VanDerWaalsContact O-N 3.15Å; M404-K406 VanDerWaalsContact C-N 3.32Å; M404-K406 PolarHBondContact O-N 3.45Å; K406-G409 PolarHBondContact O-N 3.16Å; K406-I410 HydrophobicContact CG-CD1 4.38Å; K406-I410 WeakPolarHBondContact O-CG1 3.39Å; K406-I410 PolarHBondContact O-N 2.95Å
407I95.4Very high93.5Very high78 Ų78109.6 Ų109.640%0.454%0.543SS..Hα-helixtrans-62.3-49175.5-66166.6000110.5M403 M404 G409 I410 Q411M403-I407 HydrophobicContact CE-CD1 4.25Å; M403-I407 HydrophobicContact CG-CD1 4.11Å; M403-I407 WeakPolarHBondContact O-CG1 3.44Å; M403-I407 PolarHBondContact O-N 3.07Å; M404-I407 PolarHBondContact O-N 3.13Å; I407-G409 VanDerWaalsContact C-N 3.25Å; I407-G409 PolarHBondContact O-N 3.09Å; I407-I410 PolarHBondContact O-N 3.36Å; I407-I410 VanDerWaalsContact O-N 3.08Å; I407-Q411 HydrophobicContact CG2-CG 4.43Å; I407-Q411 WeakPolarHBondContact O-CG 3.06Å; I407-Q411 PolarHBondContact O-N 3.23Å
408K94.9Very high93.5Very high102 Ų102112.8 Ų112.844%0.44355%0.551SS.*Hα-helixtrans-60.4-35.5175.4-75.3-173.7176.2-176.90112.4M404 I410 Q411 R412M404-K408 WeakPolarHBondContact O-CG 3.47Å; M404-K408 PolarHBondContact O-N 2.89Å; K408-I410 VanDerWaalsContact C-N 3.34Å; K408-Q411 PolarHBondContact O-N 3.48Å; K408-R412 WeakPolarHBondContact O-CG 3.37Å; K408-R412 PolarHBondContact O-N 3.34Å; K408-R412 VanDerWaalsContact O-N 3.08Å
409G93.7Very high93.6Very high33 Ų33113.6 Ų113.634%0.3456%0.556SS.*Hα-helixtrans-67.7-32.2175.300000113.3L405 K406 I407 K413L405-G409 PolarHBondContact O-N 3.39Å; K406-G409 PolarHBondContact O-N 3.16Å; I407-G409 VanDerWaalsContact C-N 3.25Å; I407-G409 PolarHBondContact O-N 3.09Å; G409-K413 WeakPolarHBondContact O-CG 3Å
410I93.5Very high93.5Very high109 Ų109118.8 Ų118.856%0.55957%0.566SS**Hα-helixtrans-74.4-42.2172.7-66.7164.3000110.5K406 I407 K408 R412 K413K406-I410 HydrophobicContact CG-CD1 4.38Å; K406-I410 WeakPolarHBondContact O-CG1 3.39Å; K406-I410 PolarHBondContact O-N 2.95Å; I407-I410 PolarHBondContact O-N 3.36Å; I407-I410 VanDerWaalsContact O-N 3.08Å; K408-I410 VanDerWaalsContact C-N 3.34Å; I410-R412 VanDerWaalsContact C-N 3.28Å; I410-R412 PolarHBondContact O-N 3.21Å; I410-K413 PolarHBondContact O-N 3.37Å
411Q92.3Very high93.3Very high145 Ų145120.7 Ų120.768%0.67858%0.576SS**Hα-helixtrans-67.2-24178.5-72.1177.1-30.800114.3I407 K408I407-Q411 HydrophobicContact CG2-CG 4.43Å; I407-Q411 WeakPolarHBondContact O-CG 3.06Å; I407-Q411 PolarHBondContact O-N 3.23Å; K408-Q411 PolarHBondContact O-N 3.48Å
412R91.8Very high93.2Very high211 Ų211122.7 Ų122.780%0.79658%0.582SS**THydrogen-bonded Turntrans-81.9-19.1174.9-76.2-176.2-151.8-179.54.1113.5K408 I410K408-R412 WeakPolarHBondContact O-CG 3.37Å; K408-R412 PolarHBondContact O-N 3.34Å; K408-R412 VanDerWaalsContact O-N 3.08Å; I410-R412 VanDerWaalsContact C-N 3.28Å; I410-R412 PolarHBondContact O-N 3.21Å
413K85.2Confident93Very high234 Ų234124.1 Ų124.1100%1.01758%0.582SS**  trans-870173.4-72.8-179.4177.3-169.20108.4G409 I410G409-K413 WeakPolarHBondContact O-CG 3Å; I410-K413 PolarHBondContact O-N 3.37Å

Retrieved 413 of 413 residues in 1010.3 ms (Link to these results)