A0A077ZEK9_TRITR Loading...

DnaJ domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZEK9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 236 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
1M54.7Low81.4Confident202 Ų202120.7 Ų120.7100%0.99563%0.626SS**  0-50.60-63.1-160.6-159.100113.3N3 E4 A5M1-N3 PolarHBondContact O-N 2.89Å; M1-E4 PolarHBondContact O-N 3.11Å; M1-A5 PolarHBondContact O-N 3.49Å
2L62Low82.2Confident157 Ų157121.5 Ų121.582%0.82263%0.63SS**Hα-helixtrans-62.8-37.4179.6-76.6169000114.1S6L2-S6 PolarHBondContact O-N 3.48Å
3N76.1Confident83.1Confident119 Ų119121.1 Ų121.164%0.63662%0.621SS**Hα-helixtrans-66.7-42.6178.5-74.212.3000113M1 A5 S6 E7M1-N3 PolarHBondContact O-N 2.89Å; N3-A5 VanDerWaalsContact C-N 3.3Å; N3-A5 PolarHBondContact O-N 2.78Å; N3-S6 PolarHBondContact O-N 3.34Å; N3-S6 VanDerWaalsContact O-N 3.1Å; N3-S6 PolarHBondContact O-OG 3.09Å; N3-E7 WeakPolarHBondContact O-CG 2.95Å; N3-E7 PolarHBondContact O-N 2.83Å
4E80.3Confident83.8Confident126 Ų126120.4 Ų120.459%0.58961%0.608SS**Hα-helixtrans-61.8-38.4180-71.2169.116400111.9M1 E7 L8M1-E4 PolarHBondContact O-N 3.11Å; E4-E7 PolarHBondContact O-N 3.12Å; E4-L8 WeakPolarHBondContact O-CB 3.49Å; E4-L8 VanDerWaalsContact O-CG 3.31Å; E4-L8 WeakPolarHBondContact O-CG 3.32Å; E4-L8 PolarHBondContact O-N 2.83Å
5A83.5Confident84.4Confident61 Ų61116.1 Ų116.150%0.50460%0.599SS.*Hα-helixtrans-65-39.7175.500000112M1 N3 Q9M1-A5 PolarHBondContact O-N 3.49Å; N3-A5 VanDerWaalsContact C-N 3.3Å; N3-A5 PolarHBondContact O-N 2.78Å; A5-Q9 WeakPolarHBondContact O-CB 3.4Å; A5-Q9 PolarHBondContact O-N 3.39Å
6S85.2Confident84.7Confident63 Ų63114.8 Ų114.844%0.44159%0.593SS.*Hα-helixtrans-69.3-36.617674.10000112.8L2 N3 Q9 F10L2-S6 PolarHBondContact O-N 3.48Å; N3-S6 PolarHBondContact O-N 3.34Å; N3-S6 VanDerWaalsContact O-N 3.1Å; N3-S6 PolarHBondContact O-OG 3.09Å; S6-Q9 PolarHBondContact O-N 3.36Å; S6-F10 WeakPolarHBondContact O-CB 3.4Å; S6-F10 PolarHBondContact O-N 3.01Å
7E88.8Confident85.1Confident118 Ų118112.8 Ų112.855%0.55158%0.583SS**Hα-helixtrans-66.8-46.5176.5-76.1177.1-174.100110.7N3 E4 Q9 F10 D11N3-E7 WeakPolarHBondContact O-CG 2.95Å; N3-E7 PolarHBondContact O-N 2.83Å; E4-E7 PolarHBondContact O-N 3.12Å; E7-Q9 VanDerWaalsContact C-N 3.33Å; E7-Q9 PolarHBondContact O-N 2.91Å; E7-F10 PolarHBondContact O-N 2.93Å; E7-D11 WeakPolarHBondContact O-CB 3.39Å; E7-D11 PolarHBondContact O-N 3.02Å
8L89.7Confident85.5Confident115 Ų115111.8 Ų111.860%0.60257%0.574SS**Hα-helixtrans-61.4-39.7175-72171.9000112.3E4 D11 L12E4-L8 WeakPolarHBondContact O-CB 3.49Å; E4-L8 VanDerWaalsContact O-CG 3.31Å; E4-L8 WeakPolarHBondContact O-CG 3.32Å; E4-L8 PolarHBondContact O-N 2.83Å; L8-D11 PolarHBondContact O-N 3.3Å; L8-L12 WeakPolarHBondContact O-CB 3.24Å; L8-L12 VanDerWaalsContact O-CG 3.27Å; L8-L12 WeakPolarHBondContact O-CG 3.3Å; L8-L12 PolarHBondContact O-N 3.26Å
9Q90.3Very high85.5Confident144 Ų144111.6 Ų111.667%0.67357%0.568SS**Hα-helixtrans-65.9-40.7175.9-172.6179.111.200111.6A5 S6 E7 F13A5-Q9 WeakPolarHBondContact O-CB 3.4Å; A5-Q9 PolarHBondContact O-N 3.39Å; S6-Q9 PolarHBondContact O-N 3.36Å; E7-Q9 VanDerWaalsContact C-N 3.33Å; E7-Q9 PolarHBondContact O-N 2.91Å; Q9-F13 WeakPolarHBondContact O-CB 3.43Å; Q9-F13 PolarHBondContact O-N 3.36Å
10F92.1Very high85.3Confident126 Ų126109 Ų10955%0.55356%0.558SS**Hα-helixtrans-65.8-42.6176.3-177.6-97.7000111.8S6 E7 F13 Y14S6-F10 WeakPolarHBondContact O-CB 3.4Å; S6-F10 PolarHBondContact O-N 3.01Å; E7-F10 PolarHBondContact O-N 2.93Å; F10-F13 PolarHBondContact O-N 3.26Å; F10-Y14 WeakPolarHBondContact O-CB 3.38Å; F10-Y14 PolarHBondContact O-N 2.82Å
11D92.6Very high85.3Confident97 Ų97110.5 Ų110.552%0.51956%0.562SS.*Hα-helixtrans-63.8-42.5177.3-76.6-17000112E7 L8 Y14 A15E7-D11 WeakPolarHBondContact O-CB 3.39Å; E7-D11 PolarHBondContact O-N 3.02Å; L8-D11 PolarHBondContact O-N 3.3Å; D11-Y14 PolarHBondContact O-N 3.44Å; D11-A15 VanDerWaalsContact O-CB 3.28Å; D11-A15 WeakPolarHBondContact O-CB 3.32Å; D11-A15 PolarHBondContact O-N 2.88Å
12L91.6Very high86.7Confident130 Ų130108.5 Ų108.568%0.68154%0.544SS*.Hα-helixtrans-63-44.3174.1-73.1174.5000111.6L8 A15 D16L8-L12 WeakPolarHBondContact O-CB 3.24Å; L8-L12 VanDerWaalsContact O-CG 3.27Å; L8-L12 WeakPolarHBondContact O-CG 3.3Å; L8-L12 PolarHBondContact O-N 3.26Å; L12-A15 PolarHBondContact O-N 3.46Å; L12-D16 WeakPolarHBondContact O-CB 3.3Å; L12-D16 PolarHBondContact O-N 3.44Å
13F93.3Very high87.3Confident116 Ų116105.3 Ų105.351%0.50953%0.527SS..Hα-helixtrans-61.5-44.3175.6173.5-104.9000111.7Q9 F10 D16 L17Q9-F13 WeakPolarHBondContact O-CB 3.43Å; Q9-F13 PolarHBondContact O-N 3.36Å; F10-F13 PolarHBondContact O-N 3.26Å; F13-D16 PolarHBondContact O-N 3.39Å; F13-L17 HydrophobicContact CD1-CD1 3.91Å; F13-L17 HydrophobicContact CD1-CG 4.32Å; F13-L17 HydrophobicContact CE1-CD1 3.25Å; F13-L17 HydrophobicContact CE1-CG 3.9Å; F13-L17 HydrophobicContact CE2-CD1 4.29Å; F13-L17 HydrophobicContact CE2-CD2 4.29Å; F13-L17 HydrophobicContact CE2-CG 4.11Å; F13-L17 HydrophobicContact CZ-CD1 3.48Å; F13-L17 VanDerWaalsContact CZ-CD1 3.48Å; F13-L17 HydrophobicContact CZ-CD2 4.06Å; F13-L17 HydrophobicContact CZ-CG 3.79Å; F13-L17 WeakPolarHBondContact O-CG 3.43Å; F13-L17 PolarHBondContact O-N 3.41Å
14Y93.3Very high87.2Confident111 Ų111104.1 Ų104.144%0.43552%0.521SS..Hα-helixtrans-69.3-35.2179.8-167.9-119.9000112.3F10 D11 L17 K18F10-Y14 WeakPolarHBondContact O-CB 3.38Å; F10-Y14 PolarHBondContact O-N 2.82Å; D11-Y14 PolarHBondContact O-N 3.44Å; Y14-L17 PolarHBondContact O-N 3.25Å; Y14-K18 HydrophobicContact CD1-CD 4.19Å; Y14-K18 HydrophobicContact CE1-CD 3.93Å; Y14-K18 WeakPolarHBondContact O-CB 3.09Å; Y14-K18 WeakPolarHBondContact O-CG 3.33Å; Y14-K18 PolarHBondContact O-N 2.9Å; Y14-K18 WeakPolarHBondContact OH-CE 3.43Å
15A92Very high87.1Confident57 Ų57101.4 Ų101.447%0.47152%0.516SS..Hα-helixtrans-63.7-41.7171.100000111.7D11 L12 K18 K19D11-A15 VanDerWaalsContact O-CB 3.28Å; D11-A15 WeakPolarHBondContact O-CB 3.32Å; D11-A15 PolarHBondContact O-N 2.88Å; L12-A15 PolarHBondContact O-N 3.46Å; A15-K18 PolarHBondContact O-N 3.02Å; A15-K19 WeakPolarHBondContact O-CB 3.28Å; A15-K19 PolarHBondContact O-N 2.83Å
16D90.1Very high86.7Confident95 Ų95101.8 Ų101.851%0.50851%0.512SS..Hα-helixtrans-68.1-40.2176.3-165.343.9000112.2L12 F13 K19 T20L12-D16 WeakPolarHBondContact O-CB 3.3Å; L12-D16 PolarHBondContact O-N 3.44Å; F13-D16 PolarHBondContact O-N 3.39Å; D16-K19 WeakPolarHBondContact O-CB 3.27Å; D16-K19 PolarHBondContact O-N 3.3Å; D16-T20 WeakPolarHBondContact O-CB 3.25Å; D16-T20 PolarHBondContact O-N 3.19Å; D16-T20 PolarHBondContact O-OG1 2.78Å
17L91Very high86.2Confident80 Ų80101.6 Ų101.642%0.41951%0.506SS..Hα-helixtrans-60.3-47.4172.1-78.7-174.8000111.8F13 Y14 K19 T20 E21F13-L17 HydrophobicContact CD1-CD1 3.91Å; F13-L17 HydrophobicContact CD1-CG 4.32Å; F13-L17 HydrophobicContact CE1-CD1 3.25Å; F13-L17 HydrophobicContact CE1-CG 3.9Å; F13-L17 HydrophobicContact CE2-CD1 4.29Å; F13-L17 HydrophobicContact CE2-CD2 4.29Å; F13-L17 HydrophobicContact CE2-CG 4.11Å; F13-L17 HydrophobicContact CZ-CD1 3.48Å; F13-L17 VanDerWaalsContact CZ-CD1 3.48Å; F13-L17 HydrophobicContact CZ-CD2 4.06Å; F13-L17 HydrophobicContact CZ-CG 3.79Å; F13-L17 WeakPolarHBondContact O-CG 3.43Å; F13-L17 PolarHBondContact O-N 3.41Å; Y14-L17 PolarHBondContact O-N 3.25Å; L17-K19 VanDerWaalsContact C-N 3.27Å; L17-K19 PolarHBondContact O-N 2.84Å; L17-T20 PolarHBondContact O-N 2.81Å; L17-E21 WeakPolarHBondContact O-CB 3.4Å; L17-E21 PolarHBondContact O-N 2.87Å
18K91.5Very high85.9Confident96 Ų9699.2 Ų99.242%0.41750%0.499SS..Hα-helixtrans-63.8-32.4176.4-81-179.4167.9173.10112.8Y14 A15 R22Y14-K18 HydrophobicContact CD1-CD 4.19Å; Y14-K18 HydrophobicContact CE1-CD 3.93Å; Y14-K18 WeakPolarHBondContact O-CB 3.09Å; Y14-K18 WeakPolarHBondContact O-CG 3.33Å; Y14-K18 PolarHBondContact O-N 2.9Å; Y14-K18 WeakPolarHBondContact OH-CE 3.43Å; A15-K18 PolarHBondContact O-N 3.02Å; K18-R22 WeakPolarHBondContact O-CB 3.32Å; K18-R22 PolarHBondContact O-N 2.87Å; K18-R22 PolarHBondContact O-NH1 2.78Å
19K86.4Confident85.7Confident108 Ų10895 Ų9547%0.4748%0.479SS..Hα-helixtrans-68.9-46.5174.1-176.2179.6176.3-179.20110.4A15 D16 L17 R22 D23A15-K19 WeakPolarHBondContact O-CB 3.28Å; A15-K19 PolarHBondContact O-N 2.83Å; D16-K19 WeakPolarHBondContact O-CB 3.27Å; D16-K19 PolarHBondContact O-N 3.3Å; L17-K19 VanDerWaalsContact C-N 3.27Å; L17-K19 PolarHBondContact O-N 2.84Å; K19-R22 PolarHBondContact O-N 3.07Å; K19-D23 PolarHBondContact O-N 3.46Å
20T82.2Confident85.5Confident59 Ų5995.3 Ų95.336%0.36248%0.479SS..Hα-helixtrans-59.9-47.5177.1-57.40000111.3D16 L17 R22 D23 D24D16-T20 WeakPolarHBondContact O-CB 3.25Å; D16-T20 PolarHBondContact O-N 3.19Å; D16-T20 PolarHBondContact O-OG1 2.78Å; L17-T20 PolarHBondContact O-N 2.81Å; T20-R22 VanDerWaalsContact C-N 3.31Å; T20-R22 PolarHBondContact O-N 3.15Å; T20-D23 PolarHBondContact O-N 3.25Å; T20-D23 VanDerWaalsContact O-N 3.14Å; T20-D24 WeakPolarHBondContact O-CB 3.28Å; T20-D24 VanDerWaalsContact O-CG 3.31Å; T20-D24 PolarHBondContact O-N 3.22Å
21E84.6Confident85.2Confident140 Ų14093 Ų9365%0.65447%0.473SS*.Hα-helixtrans-57.5-43.2176.2-175.8-176-172.600111.9L17 D24 S25L17-E21 WeakPolarHBondContact O-CB 3.4Å; L17-E21 PolarHBondContact O-N 2.87Å; E21-D24 PolarHBondContact O-N 2.82Å; E21-S25 WeakPolarHBondContact O-CB 3.35Å; E21-S25 PolarHBondContact O-N 3.23Å
22R83.6Confident84.8Confident161 Ų16188.6 Ų88.661%0.60845%0.449SS*.Hα-helixtrans-64.9-44.9176.1-175-177.5-72.798-3.9111.4K18 K19 T20 S25K18-R22 WeakPolarHBondContact O-CB 3.32Å; K18-R22 PolarHBondContact O-N 2.87Å; K18-R22 PolarHBondContact O-NH1 2.78Å; K19-R22 PolarHBondContact O-N 3.07Å; T20-R22 VanDerWaalsContact C-N 3.31Å; T20-R22 PolarHBondContact O-N 3.15Å; R22-S25 PolarHBondContact O-N 3.15Å; R22-S25 PolarHBondContact O-OG 2.6Å
23D74.3Confident84.5Confident89 Ų8982.7 Ų82.748%0.47642%0.418SS..Hα-helixtrans-64.1-42179-74.4-17.2000111.1K19 T20 S25 T26K19-D23 PolarHBondContact O-N 3.46Å; T20-D23 PolarHBondContact O-N 3.25Å; T20-D23 VanDerWaalsContact O-N 3.14Å; D23-S25 PolarHBondContact O-N 3.49Å; D23-T26 PolarHBondContact O-N 3.19Å; D23-T26 VanDerWaalsContact O-N 3.15Å; D23-T26 PolarHBondContact O-OG1 3.48Å
24D75.1Confident84.2Confident95 Ų9584.8 Ų84.851%0.50842%0.423SS..Hα-helixtrans-65.8-37.2177.6-74.1-14.8000112.4T20 E21 T26 L27T20-D24 WeakPolarHBondContact O-CB 3.28Å; T20-D24 VanDerWaalsContact O-CG 3.31Å; T20-D24 PolarHBondContact O-N 3.22Å; E21-D24 PolarHBondContact O-N 2.82Å; D24-T26 PolarHBondContact O-N 2.95Å; D24-T26 VanDerWaalsContact O-N 3.11Å; D24-L27 PolarHBondContact O-N 3.17Å
25S78.8Confident83.6Confident69 Ų6982.1 Ų82.148%0.48341%0.412SS..Hα-helixtrans-58.2-26.2174.479.50000113.2E21 R22 D23 T28 N31E21-S25 WeakPolarHBondContact O-CB 3.35Å; E21-S25 PolarHBondContact O-N 3.23Å; R22-S25 PolarHBondContact O-N 3.15Å; R22-S25 PolarHBondContact O-OG 2.6Å; D23-S25 PolarHBondContact O-N 3.49Å; S25-T28 PolarHBondContact O-OG1 3Å; S25-N31 PolarHBondContact O-ND2 3.31Å
26T74.2Confident83.2Confident68 Ų6879.7 Ų79.742%0.41739%0.391SS..Hα-helixtrans-84.5-18.3176.4730000113.2D23 D24 T28 Q32D23-T26 PolarHBondContact O-N 3.19Å; D23-T26 VanDerWaalsContact O-N 3.15Å; D23-T26 PolarHBondContact O-OG1 3.48Å; D24-T26 PolarHBondContact O-N 2.95Å; D24-T26 VanDerWaalsContact O-N 3.11Å; T26-T28 VanDerWaalsContact C-N 3.27Å; T26-T28 PolarHBondContact O-N 3.3Å; T26-Q32 PolarHBondContact O-NE2 3.04Å
27L74.6Confident83Confident59 Ų5977.9 Ų77.931%0.30938%0.382SS..  trans-89.525.4-174.1-160.361.2000113.5D24 L68D24-L27 PolarHBondContact O-N 3.17Å; L27-L68 HydrophobicContact CD1-CD1 3.85Å; L27-L68 HydrophobicContact CG-CD1 3.91Å
28T83.5Confident82.6Confident68 Ų6880.6 Ų80.642%0.41739%0.386SS..  trans-80.5143.1175.3-45.80000111.8S25 T26 K30 N31 Q32S25-T28 PolarHBondContact O-OG1 3Å; T26-T28 VanDerWaalsContact C-N 3.27Å; T26-T28 PolarHBondContact O-N 3.3Å; T28-K30 VanDerWaalsContact C-N 3.32Å; T28-K30 PolarHBondContact O-N 3.25Å; T28-N31 WeakPolarHBondContact O-CB 3.48Å; T28-N31 PolarHBondContact O-N 2.98Å; T28-Q32 WeakPolarHBondContact O-CG 3.18Å; T28-Q32 PolarHBondContact O-N 2.84Å
29S84.6Confident81.9Confident26 Ų2681.6 Ų81.618%0.18240%0.403CS..Hα-helixtrans-51.1-46.5178.8-53.10000113.5N31 Q32 I33 L68 N74S29-N31 VanDerWaalsContact C-N 3.33Å; S29-N31 PolarHBondContact O-N 3.07Å; S29-Q32 PolarHBondContact O-N 3Å; S29-Q32 VanDerWaalsContact O-N 3.16Å; S29-I33 WeakPolarHBondContact O-CG1 3.47Å; S29-I33 PolarHBondContact O-N 3.08Å; S29-L68 WeakPolarHBondContact CB-O 3.49Å; S29-L68 PolarHBondContact OG-O 3.2Å; S29-L68 VanDerWaalsContact OG-O 3.09Å; S29-N74 WeakPolarHBondContact CB-OD1 3.31Å
30K86.7Confident81.1Confident151 Ų15179.1 Ų79.166%0.65741%0.407SS*.Hα-helixtrans-57.7-43.7176.8-64.9-174.8179.5-177.90112.4T28 I33 Y34T28-K30 VanDerWaalsContact C-N 3.32Å; T28-K30 PolarHBondContact O-N 3.25Å; K30-I33 PolarHBondContact O-N 2.8Å; K30-Y34 WeakPolarHBondContact O-CB 3.12Å; K30-Y34 PolarHBondContact O-N 3.09Å
31N85.3Confident80.5Confident79 Ų7976.6 Ų76.642%0.42239%0.393SS..Hα-helixtrans-67.4-37.8178.3-71.7-15.2000111.6S25 T28 S29 R35S25-N31 PolarHBondContact O-ND2 3.31Å; T28-N31 WeakPolarHBondContact O-CB 3.48Å; T28-N31 PolarHBondContact O-N 2.98Å; S29-N31 VanDerWaalsContact C-N 3.33Å; S29-N31 PolarHBondContact O-N 3.07Å; N31-R35 VanDerWaalsContact O-CB 3.27Å; N31-R35 WeakPolarHBondContact O-CB 3.43Å; N31-R35 PolarHBondContact O-N 2.91Å
32Q83.9Confident79.5Confident4 Ų474.4 Ų74.42%0.01939%0.389CS..Hα-helixtrans-67.6-44.5177-61-53.1-64.700111.8T26 T28 S29 R35 L36 L65 L68 V69T26-Q32 PolarHBondContact O-NE2 3.04Å; T28-Q32 WeakPolarHBondContact O-CG 3.18Å; T28-Q32 PolarHBondContact O-N 2.84Å; S29-Q32 PolarHBondContact O-N 3Å; S29-Q32 VanDerWaalsContact O-N 3.16Å; Q32-R35 PolarHBondContact O-N 2.96Å; Q32-L36 WeakPolarHBondContact O-CB 3.39Å; Q32-L36 VanDerWaalsContact O-CG 3.27Å; Q32-L36 WeakPolarHBondContact O-CG 3.24Å; Q32-L36 PolarHBondContact O-N 3.1Å; Q32-L65 HydrophobicContact CG-CD2 4.24Å; Q32-L68 HydrophobicContact CG-CD1 4.13Å; Q32-V69 HydrophobicContact CB-CG1 3.71Å
33I85.5Confident78.6Confident6 Ų668.6 Ų68.63%0.03137%0.367CS..Hα-helixtrans-60-50.3175.7-67.2167.8000109.9S29 K30 R35 L36 L37 V69 N74 N80 A81 A84S29-I33 WeakPolarHBondContact O-CG1 3.47Å; S29-I33 PolarHBondContact O-N 3.08Å; K30-I33 PolarHBondContact O-N 2.8Å; I33-R35 VanDerWaalsContact C-N 3.33Å; I33-R35 PolarHBondContact O-N 2.72Å; I33-L36 PolarHBondContact O-N 2.76Å; I33-L37 HydrophobicContact CG2-CD1 3.85Å; I33-L37 HydrophobicContact CG2-CG 4.45Å; I33-L37 WeakPolarHBondContact O-CB 3.28Å; I33-L37 WeakPolarHBondContact O-CG 3.38Å; I33-L37 PolarHBondContact O-N 3.49Å; I33-V69 HydrophobicContact CG1-CB 4.12Å; I33-V69 HydrophobicContact CG1-CG1 4.08Å; I33-N74 HydrophobicContact CD1-CB 4.21Å; I33-N80 HydrophobicContact CG2-CB 3.73Å; I33-A81 HydrophobicContact CD1-CB 3.83Å; I33-A84 HydrophobicContact CB-CB 4.48Å; I33-A84 HydrophobicContact CG1-CB 4.29Å; I33-A84 HydrophobicContact CG2-CB 4.3Å
34Y86.2Confident78Confident160 Ų16065.9 Ų65.963%0.62735%0.352SS*.Hα-helixtrans-59.8-42.1178-178.1-96.7000112.4K30 L36 L37 R38K30-Y34 WeakPolarHBondContact O-CB 3.12Å; K30-Y34 PolarHBondContact O-N 3.09Å; Y34-L36 VanDerWaalsContact C-N 3.33Å; Y34-L36 PolarHBondContact O-N 2.89Å; Y34-L37 PolarHBondContact O-N 2.89Å; Y34-R38 PolarHBondContact O-N 2.91Å
35R82.4Confident77.3Confident54 Ų5462.5 Ų62.520%0.20433%0.333CS..Hα-helixtrans-60-44.7176.6-171.4-176.379.5-144.2-8.2111.4N31 Q32 I33 F44N31-R35 VanDerWaalsContact O-CB 3.27Å; N31-R35 WeakPolarHBondContact O-CB 3.43Å; N31-R35 PolarHBondContact O-N 2.91Å; Q32-R35 PolarHBondContact O-N 2.96Å; I33-R35 VanDerWaalsContact C-N 3.33Å; I33-R35 PolarHBondContact O-N 2.72Å; R35-F44 HydrophobicContact CG-CD1 4.45Å; R35-F44 HydrophobicContact CG-CE1 3.6Å; R35-F44 HydrophobicContact CG-CZ 3.93Å
36L82.9Confident76.1Confident6 Ų661 Ų613%0.03132%0.319CS..Hα-helixtrans-71.5-32.3-177.5-69.5169.7000112.6Q32 I33 Y34 A41 N45 V69 A84 L88Q32-L36 WeakPolarHBondContact O-CB 3.39Å; Q32-L36 VanDerWaalsContact O-CG 3.27Å; Q32-L36 WeakPolarHBondContact O-CG 3.24Å; Q32-L36 PolarHBondContact O-N 3.1Å; I33-L36 PolarHBondContact O-N 2.76Å; Y34-L36 VanDerWaalsContact C-N 3.33Å; Y34-L36 PolarHBondContact O-N 2.89Å; L36-A41 WeakPolarHBondContact O-CB 3.4Å; L36-N45 WeakPolarHBondContact CA-ND2 3.35Å; L36-N45 HydrophobicContact CD2-CB 4.03Å; L36-N45 VanDerWaalsContact CD2-CG 3.41Å; L36-N45 WeakPolarHBondContact CD2-OD1 3.45Å; L36-N45 PolarHBondContact O-ND2 2.87Å; L36-V69 HydrophobicContact CD1-CG1 3.91Å; L36-V69 HydrophobicContact CD1-CG2 4.45Å; L36-A84 HydrophobicContact CB-CB 4.01Å; L36-A84 HydrophobicContact CD1-CB 3.85Å; L36-L88 HydrophobicContact CD1-CD1 4.05Å; L36-L88 HydrophobicContact CD1-CD2 4Å; L36-L88 HydrophobicContact CD1-CG 3.79Å; L36-L88 HydrophobicContact CD2-CD2 3.85Å; L36-L88 HydrophobicContact CD2-CG 4.39Å
37L85.5Confident75.2Confident58 Ų5858.4 Ų58.430%0.30430%0.303SS..Hα-helixtrans-94.51.1-179.4-62.6-177.6000114.7I33 Y34 N80 K83 A84I33-L37 HydrophobicContact CG2-CD1 3.85Å; I33-L37 HydrophobicContact CG2-CG 4.45Å; I33-L37 WeakPolarHBondContact O-CB 3.28Å; I33-L37 WeakPolarHBondContact O-CG 3.38Å; I33-L37 PolarHBondContact O-N 3.49Å; Y34-L37 PolarHBondContact O-N 2.89Å; L37-N80 HydrophobicContact CD1-CB 3.43Å; L37-N80 VanDerWaalsContact CD1-CB 3.43Å; L37-K83 HydrophobicContact CD1-CB 4.42Å; L37-K83 HydrophobicContact CD2-CB 3.63Å; L37-A84 HydrophobicContact CD2-CB 4.49Å; L37-A84 HydrophobicContact CG-CB 4.37Å
38R83.9Confident74.2Confident136 Ų13656.1 Ų56.151%0.51329%0.292SS..SBendtrans-56.3138.8-179.7-172.3173.8-178.9-116.3-0.1110.7Y34 G40 A41Y34-R38 PolarHBondContact O-N 2.91Å; R38-G40 PolarHBondContact O-N 3.11Å; R38-A41 HydrophobicContact CB-CB 4.22Å; R38-A41 WeakPolarHBondContact O-CA 3.38Å; R38-A41 WeakPolarHBondContact O-CB 3.27Å; R38-A41 PolarHBondContact O-N 3.15Å
39P76Confident72.6Confident118 Ų11855.4 Ų55.477%0.76628%0.282SS*.THydrogen-bonded Turntrans-54130.4173-27.135000111.4A41P39-A41 VanDerWaalsContact C-N 3.31Å
40G68.8Low71.4Confident55 Ų5556.9 Ų56.957%0.56729%0.288SS*.THydrogen-bonded Turntrans81.41.7-173.600000115.1R38 T42R38-G40 PolarHBondContact O-N 3.11Å; G40-T42 PolarHBondContact O-N 2.92Å; G40-T42 VanDerWaalsContact O-N 3.11Å
41A69.6Low69.5Low6 Ų653.7 Ų53.75%0.0527%0.274CS..Hα-helixtrans-67.8-7177.200000114L36 R38 P39 Y43 F44 N45L36-A41 WeakPolarHBondContact O-CB 3.4Å; R38-A41 HydrophobicContact CB-CB 4.22Å; R38-A41 WeakPolarHBondContact O-CA 3.38Å; R38-A41 WeakPolarHBondContact O-CB 3.27Å; R38-A41 PolarHBondContact O-N 3.15Å; P39-A41 VanDerWaalsContact C-N 3.31Å; A41-Y43 PolarHBondContact O-N 2.88Å; A41-F44 HydrophobicContact CB-CB 4.19Å; A41-F44 PolarHBondContact O-N 2.92Å; A41-F44 VanDerWaalsContact O-N 3.08Å; A41-N45 PolarHBondContact O-N 3.26Å; A41-N45 PolarHBondContact O-ND2 3.38Å
42T64.2Low67.2Low95 Ų9554.3 Ų54.358%0.58328%0.282SS*.Hα-helixtrans-48.9-36.2175.7-45.30000112.4G40 L46G40-T42 PolarHBondContact O-N 2.92Å; G40-T42 VanDerWaalsContact O-N 3.11Å; T42-L46 WeakPolarHBondContact O-CD1 3.4Å; T42-L46 VanDerWaalsContact O-CG 3.29Å; T42-L46 WeakPolarHBondContact O-CG 3.2Å
43Y64.8Low64.8Low38 Ų3858.4 Ų58.415%0.14931%0.308CS..Hα-helixtrans-103.3-22.4179.4-45.4-47.9000113.1A41 F159 A160 E163 R167A41-Y43 PolarHBondContact O-N 2.88Å; Y43-F159 AromaticContact CD1-CD1 3.11Å; Y43-F159 HydrophobicContact CD1-CD1 3.11Å; Y43-F159 AromaticContact CD1-CE1 3.06Å; Y43-F159 HydrophobicContact CD1-CE1 3.06Å; Y43-F159 HydrophobicContact CD1-CG 4.28Å; Y43-F159 HydrophobicContact CD1-CZ 4.18Å; Y43-F159 HydrophobicContact CD2-CD1 4.35Å; Y43-F159 AromaticContact CE1-CD1 3.71Å; Y43-F159 HydrophobicContact CE1-CD1 3.71Å; Y43-F159 AromaticContact CE1-CE1 3.51Å; Y43-F159 HydrophobicContact CE1-CE1 3.51Å; Y43-F159 AromaticContact CG-CD1 3.46Å; Y43-F159 HydrophobicContact CG-CD1 3.46Å; Y43-F159 VanDerWaalsContact CG-CD1 3.46Å; Y43-F159 AromaticContact CG-CE1 3.91Å; Y43-F159 HydrophobicContact CG-CE1 3.91Å; Y43-F159 HydrophobicContact CG-CG 4.34Å; Y43-A160 HydrophobicContact CD2-CB 4.03Å; Y43-A160 HydrophobicContact CE2-CB 4.02Å; Y43-E163 HydrophobicContact CE1-CB 4.14Å; Y43-E163 HydrophobicContact CE1-CG 3.85Å; Y43-E163 WeakPolarHBondContact OH-CG 3.03Å; Y43-R167 PolarHBondContact OH-NH2 3.4Å
44F61.8Low62.3Low33 Ų3358.5 Ų58.515%0.14531%0.309CS..Hα-helixtrans-62.3-47.4176.9-171.1-74.9000110.6R35 A41 L46 W152 I156R35-F44 HydrophobicContact CG-CD1 4.45Å; R35-F44 HydrophobicContact CG-CE1 3.6Å; R35-F44 HydrophobicContact CG-CZ 3.93Å; A41-F44 HydrophobicContact CB-CB 4.19Å; A41-F44 PolarHBondContact O-N 2.92Å; A41-F44 VanDerWaalsContact O-N 3.08Å; F44-L46 VanDerWaalsContact C-N 3.34Å; F44-L46 PolarHBondContact O-N 3.48Å; F44-W152 HydrophobicContact CD2-CH2 4.02Å; F44-W152 AromaticContact CD2-CZ2 3.55Å; F44-W152 HydrophobicContact CD2-CZ2 3.55Å; F44-W152 HydrophobicContact CE1-CZ2 4.28Å; F44-W152 AromaticContact CE2-CH2 3.4Å; F44-W152 HydrophobicContact CE2-CH2 3.4Å; F44-W152 VanDerWaalsContact CE2-CH2 3.4Å; F44-W152 AromaticContact CE2-CZ2 3.11Å; F44-W152 HydrophobicContact CE2-CZ2 3.11Å; F44-W152 HydrophobicContact CG-CZ2 4.35Å; F44-W152 HydrophobicContact CZ-CH2 4.04Å; F44-W152 AromaticContact CZ-CZ2 3.51Å; F44-W152 HydrophobicContact CZ-CZ2 3.51Å; F44-I156 HydrophobicContact CD2-CD1 4.2Å
45N59.4Low60Low24 Ų2456.3 Ų56.313%0.12831%0.312CS..THydrogen-bonded Turntrans-81.5-13.9-172.9-57.1-24.9000113.8L36 A41 N47 V87L36-N45 WeakPolarHBondContact CA-ND2 3.35Å; L36-N45 HydrophobicContact CD2-CB 4.03Å; L36-N45 VanDerWaalsContact CD2-CG 3.41Å; L36-N45 WeakPolarHBondContact CD2-OD1 3.45Å; L36-N45 PolarHBondContact O-ND2 2.87Å; A41-N45 PolarHBondContact O-N 3.26Å; A41-N45 PolarHBondContact O-ND2 3.38Å; N45-N47 VanDerWaalsContact C-N 3.32Å; N45-V87 HydrophobicContact CB-CG1 3.91Å; N45-V87 WeakPolarHBondContact ND2-CG1 3.46Å
46L54.9Low58Low36 Ų3663.1 Ų63.119%0.18834%0.343CS..THydrogen-bonded Turntrans-880.5179-67.7177.3000112.9T42 F44 P48 A91 F159T42-L46 WeakPolarHBondContact O-CD1 3.4Å; T42-L46 VanDerWaalsContact O-CG 3.29Å; T42-L46 WeakPolarHBondContact O-CG 3.2Å; F44-L46 VanDerWaalsContact C-N 3.34Å; F44-L46 PolarHBondContact O-N 3.48Å; L46-P48 WeakPolarHBondContact O-CD 3.08Å; L46-A91 HydrophobicContact CD2-CB 4.16Å; L46-F159 HydrophobicContact CD1-CZ 4.07Å
47N55.3Low56.1Low15 Ų1565.1 Ų65.18%0.0836%0.357CS..  trans-89.197.9178.2-169.22000110N45 Y49 D50N45-N47 VanDerWaalsContact C-N 3.32Å; N47-Y49 PolarHBondContact O-N 3.31Å; N47-Y49 WeakPolarHBondContact OD1-CB 3.24Å; N47-Y49 WeakPolarHBondContact OD1-CD2 3.37Å; N47-Y49 PolarHBondContact OD1-N 3.24Å; N47-D50 PolarHBondContact O-N 2.89Å
48P53.4Low54.6Low11 Ų1165 Ų657%0.07136%0.355CS..G310 helixtrans-56.9-24.1173.325-34.3000111.5L46 D50 V54 L95 I104L46-P48 WeakPolarHBondContact O-CD 3.08Å; P48-D50 VanDerWaalsContact C-N 3.32Å; P48-D50 PolarHBondContact O-N 2.94Å; P48-V54 HydrophobicContact CB-CG1 3.72Å; P48-V54 WeakPolarHBondContact O-CB 3.35Å; P48-V54 WeakPolarHBondContact O-CG1 3.4Å; P48-V54 WeakPolarHBondContact O-CG2 3.17Å; P48-L95 HydrophobicContact CB-CD1 4Å; P48-L95 HydrophobicContact CB-CD2 3.5Å; P48-L95 HydrophobicContact CB-CG 4.41Å; P48-L95 HydrophobicContact CG-CD2 3.48Å; P48-L95 VanDerWaalsContact CG-CD2 3.48Å; P48-I104 HydrophobicContact CG-CG2 3.85Å
49Y50.4Low53.2Low52 Ų5265.2 Ų65.220%0.20436%0.361CS..G310 helixtrans-86.34.2-173.9-51-72.2000114.3N47 K51 I104 Y108N47-Y49 PolarHBondContact O-N 3.31Å; N47-Y49 WeakPolarHBondContact OD1-CB 3.24Å; N47-Y49 WeakPolarHBondContact OD1-CD2 3.37Å; N47-Y49 PolarHBondContact OD1-N 3.24Å; Y49-K51 PolarHBondContact O-N 3.44Å; Y49-I104 HydrophobicContact CE2-CG2 4.01Å; Y49-Y108 HydrophobicContact CD2-CD1 4.41Å; Y49-Y108 AromaticContact CD2-CD2 3.59Å; Y49-Y108 HydrophobicContact CD2-CD2 3.59Å; Y49-Y108 HydrophobicContact CD2-CE2 4.27Å; Y49-Y108 AromaticContact CD2-CG 3.67Å; Y49-Y108 HydrophobicContact CD2-CG 3.67Å; Y49-Y108 HydrophobicContact CE2-CD1 4.46Å; Y49-Y108 HydrophobicContact CE2-CD2 4.33Å; Y49-Y108 AromaticContact CE2-CG 3.93Å; Y49-Y108 HydrophobicContact CE2-CG 3.93Å; Y49-Y108 AromaticContact CG-CD2 3.86Å; Y49-Y108 HydrophobicContact CG-CD2 3.86Å; Y49-Y108 HydrophobicContact CG-CE2 4.06Å; Y49-Y108 HydrophobicContact CG-CG 4.16Å
50D57.4Low52Low58 Ų5865.4 Ų65.431%0.3136%0.355SS..G310 helixtrans-61.4-26.2-179.4-16518.3000112.8N47 P48 W152N47-D50 PolarHBondContact O-N 2.89Å; P48-D50 VanDerWaalsContact C-N 3.32Å; P48-D50 PolarHBondContact O-N 2.94Å; D50-W152 PolarHBondContact OD1-NE1 3.41Å
51K47Very low51.6Low83 Ų8365.5 Ų65.536%0.36134%0.34SS..SBendtrans-126127.7167.2-61.3-150.6177.3-165.80110.7Y49 T53 V54 F61Y49-K51 PolarHBondContact O-N 3.44Å; K51-T53 PolarHBondContact O-N 2.8Å; K51-V54 WeakPolarHBondContact O-CB 3.42Å; K51-V54 VanDerWaalsContact O-CG2 3.3Å; K51-V54 WeakPolarHBondContact O-CG2 3.42Å; K51-V54 PolarHBondContact O-N 2.94Å; K51-F61 HydrophobicContact CD-CE2 3.93Å; K51-F61 HydrophobicContact CD-CZ 4.03Å; K51-F61 HydrophobicContact CG-CZ 4.31Å
52P36.9Very low51.4Low92 Ų9266.7 Ų66.760%0.59735%0.348SS*.G310 helixtrans-62.6-10-174.222.4-31.2000114.4V54P52-V54 PolarHBondContact O-N 2.98Å
53T34.4Very low51.7Low91 Ų9168.8 Ų68.856%0.55835%0.349SS*.G310 helixtrans-65.1-19.2172.6-33.90000113K51 V55 K56 C57K51-T53 PolarHBondContact O-N 2.8Å; T53-V55 VanDerWaalsContact C-N 3.3Å; T53-V55 PolarHBondContact O-N 3.31Å; T53-K56 PolarHBondContact O-N 3.48Å; T53-C57 PolarHBondContact O-N 3.48Å; T53-C57 VanDerWaalsContact O-N 3.15Å
54V32.9Very low52.3Low8 Ų871.6 Ų71.65%0.04836%0.364CS..G310 helixtrans-71-22.3-170.5176.90000113.4P48 K51 P52 K56 H58 F61P48-V54 HydrophobicContact CB-CG1 3.72Å; P48-V54 WeakPolarHBondContact O-CB 3.35Å; P48-V54 WeakPolarHBondContact O-CG1 3.4Å; P48-V54 WeakPolarHBondContact O-CG2 3.17Å; K51-V54 WeakPolarHBondContact O-CB 3.42Å; K51-V54 VanDerWaalsContact O-CG2 3.3Å; K51-V54 WeakPolarHBondContact O-CG2 3.42Å; K51-V54 PolarHBondContact O-N 2.94Å; P52-V54 PolarHBondContact O-N 2.98Å; V54-K56 PolarHBondContact O-N 3.34Å; V54-H58 WeakPolarHBondContact CG1-CE1 3.39Å; V54-H58 WeakPolarHBondContact CG1-ND1 3.2Å; V54-H58 PolarHBondContact O-CD2 3.37Å; V54-H58 PolarHBondContact O-NE2 2.82Å; V54-F61 HydrophobicContact CG2-CD1 4.48Å
55V37.2Very low53.1Low114 Ų11470.3 Ų70.369%0.69136%0.358SS*.G310 helixtrans-68.4-22173-162.30000111.8T53T53-V55 VanDerWaalsContact C-N 3.3Å; T53-V55 PolarHBondContact O-N 3.31Å
56K42.3Very low54.3Low196 Ų19670.5 Ų70.585%0.85236%0.362SS*.THydrogen-bonded Turntrans-101.7-31.1179.9-71.2-174.4177.91800114T53 V54T53-K56 PolarHBondContact O-N 3.48Å; V54-K56 PolarHBondContact O-N 3.34Å
57C41.1Very low55.8Low49 Ų4971.3 Ų71.333%0.33137%0.366SS..  trans-153.776.9-177.5-90.90000112.8T53 H59 L60T53-C57 PolarHBondContact O-N 3.48Å; T53-C57 VanDerWaalsContact O-N 3.15Å; C57-H59 PolarHBondContact O-N 3.35Å; C57-L60 HydrophobicContact CB-CB 3.96Å; C57-L60 HydrophobicContact CB-CD1 3.7Å; C57-L60 HydrophobicContact CB-CG 3.79Å; C57-L60 PolarHBondContact O-N 3.07Å; C57-L60 VanDerWaalsContact SG-CD1 3.54Å
58H54.4Low57.2Low55 Ų5571.8 Ų71.826%0.25537%0.368SS..Hα-helixtrans-49.2-39.3166.9-70.5-89.9000112.1V54 S62V54-H58 WeakPolarHBondContact CG1-CE1 3.39Å; V54-H58 WeakPolarHBondContact CG1-ND1 3.2Å; V54-H58 PolarHBondContact O-CD2 3.37Å; V54-H58 PolarHBondContact O-NE2 2.82Å; H58-S62 WeakPolarHBondContact O-CB 3.43Å; H58-S62 PolarHBondContact O-N 3.41Å; H58-S62 PolarHBondContact O-OG 2.87Å
59H55.3Low58.8Low141 Ų14171.3 Ų71.365%0.65337%0.365SS*.Hα-helixtrans-65.7-43.5-177.6-66.490.7000113.4C57 F63C57-H59 PolarHBondContact O-N 3.35Å; H59-F63 WeakPolarHBondContact O-CB 3.34Å; H59-F63 PolarHBondContact O-N 3.47Å
60L50.9Low60.7Low121 Ų12172.3 Ų72.363%0.63437%0.371SS*.Hα-helixtrans-70.8-43-172.8-65178.8000112.6C57 F63 Q64C57-L60 HydrophobicContact CB-CB 3.96Å; C57-L60 HydrophobicContact CB-CD1 3.7Å; C57-L60 HydrophobicContact CB-CG 3.79Å; C57-L60 PolarHBondContact O-N 3.07Å; C57-L60 VanDerWaalsContact SG-CD1 3.54Å; L60-F63 PolarHBondContact O-N 2.92Å; L60-Q64 PolarHBondContact O-N 3.11Å
61F59.9Low62.3Low57 Ų5770.6 Ų70.625%0.2536%0.363CS..Hα-helixtrans-68.2-41.1178.9-175.7-108.5000111.4K51 V54 F63 Q64 L65K51-F61 HydrophobicContact CD-CE2 3.93Å; K51-F61 HydrophobicContact CD-CZ 4.03Å; K51-F61 HydrophobicContact CG-CZ 4.31Å; V54-F61 HydrophobicContact CG2-CD1 4.48Å; F61-F63 VanDerWaalsContact C-N 3.28Å; F61-F63 PolarHBondContact O-N 3.45Å; F61-Q64 PolarHBondContact O-N 2.95Å; F61-L65 HydrophobicContact CD1-CD1 3.81Å; F61-L65 HydrophobicContact CD1-CG 4.32Å; F61-L65 HydrophobicContact CE1-CD1 3.19Å; F61-L65 HydrophobicContact CE1-CG 3.95Å; F61-L65 HydrophobicContact CE2-CD1 4.23Å; F61-L65 HydrophobicContact CE2-CD2 4.41Å; F61-L65 HydrophobicContact CE2-CG 4.15Å; F61-L65 HydrophobicContact CZ-CD1 3.44Å; F61-L65 VanDerWaalsContact CZ-CD1 3.44Å; F61-L65 HydrophobicContact CZ-CD2 4.18Å; F61-L65 HydrophobicContact CZ-CG 3.86Å; F61-L65 WeakPolarHBondContact O-CB 3.41Å; F61-L65 WeakPolarHBondContact O-CG 3.5Å; F61-L65 PolarHBondContact O-N 2.8Å
62S66.7Low64.5Low31 Ų3173.1 Ų73.122%0.21738%0.381CS..Hα-helixtrans-61.5-37.8174.1-69.60000111.8H58 S66H58-S62 WeakPolarHBondContact O-CB 3.43Å; H58-S62 PolarHBondContact O-N 3.41Å; H58-S62 PolarHBondContact O-OG 2.87Å; S62-S66 WeakPolarHBondContact O-CB 3.4Å; S62-S66 PolarHBondContact O-N 2.87Å; S62-S66 PolarHBondContact O-OG 3.19Å
63F70.3Confident67Low140 Ų14075 Ų7561%0.61438%0.38SS*.Hα-helixtrans-68.3-43.3177.6-153.5-92.7000112.6H59 L60 F61 S66 I67H59-F63 WeakPolarHBondContact O-CB 3.34Å; H59-F63 PolarHBondContact O-N 3.47Å; L60-F63 PolarHBondContact O-N 2.92Å; F61-F63 VanDerWaalsContact C-N 3.28Å; F61-F63 PolarHBondContact O-N 3.45Å; F63-S66 WeakPolarHBondContact CA-OG 3.38Å; F63-S66 PolarHBondContact O-N 3.08Å; F63-S66 PolarHBondContact O-OG 3.25Å; F63-I67 HydrophobicContact CD1-CD1 3.73Å; F63-I67 HydrophobicContact CD1-CG1 4.38Å; F63-I67 HydrophobicContact CE1-CD1 3.76Å; F63-I67 HydrophobicContact CE1-CG1 4.39Å; F63-I67 WeakPolarHBondContact O-CG1 3.46Å; F63-I67 PolarHBondContact O-N 2.92Å; F63-I67 VanDerWaalsContact O-N 3.13Å
64Q77.2Confident69.6Low96 Ų9671.5 Ų71.545%0.44936%0.357SS..Hα-helixtrans-64.8-43.3177.7-173.762.713.700111.5L60 F61 I67 L68L60-Q64 PolarHBondContact O-N 3.11Å; F61-Q64 PolarHBondContact O-N 2.95Å; Q64-I67 PolarHBondContact O-N 3.38Å; Q64-L68 WeakPolarHBondContact O-CG 3.45Å; Q64-L68 PolarHBondContact O-N 3.37Å
65L78.5Confident72.3Confident6 Ų674.6 Ų74.63%0.03138%0.378CS..Hα-helixtrans-66.7-39.6176.2-73.1-172.9000112.3Q32 F61 I67 L68 V69 L88Q32-L65 HydrophobicContact CG-CD2 4.24Å; F61-L65 HydrophobicContact CD1-CD1 3.81Å; F61-L65 HydrophobicContact CD1-CG 4.32Å; F61-L65 HydrophobicContact CE1-CD1 3.19Å; F61-L65 HydrophobicContact CE1-CG 3.95Å; F61-L65 HydrophobicContact CE2-CD1 4.23Å; F61-L65 HydrophobicContact CE2-CD2 4.41Å; F61-L65 HydrophobicContact CE2-CG 4.15Å; F61-L65 HydrophobicContact CZ-CD1 3.44Å; F61-L65 VanDerWaalsContact CZ-CD1 3.44Å; F61-L65 HydrophobicContact CZ-CD2 4.18Å; F61-L65 HydrophobicContact CZ-CG 3.86Å; F61-L65 WeakPolarHBondContact O-CB 3.41Å; F61-L65 WeakPolarHBondContact O-CG 3.5Å; F61-L65 PolarHBondContact O-N 2.8Å; L65-I67 VanDerWaalsContact C-N 3.26Å; L65-I67 PolarHBondContact O-N 3.33Å; L65-L68 PolarHBondContact O-N 3.17Å; L65-L68 VanDerWaalsContact O-N 3.15Å; L65-V69 WeakPolarHBondContact O-CG2 3.37Å; L65-V69 PolarHBondContact O-N 3.01Å; L65-L88 HydrophobicContact CB-CD1 3.87Å; L65-L88 HydrophobicContact CD1-CD2 4.16Å
66S84.1Confident74.9Confident29 Ų2976.3 Ų76.320%0.20338%0.383CS..Hα-helixtrans-62.7-36.4-179.967.80000111.5S62 F63 H70S62-S66 WeakPolarHBondContact O-CB 3.4Å; S62-S66 PolarHBondContact O-N 2.87Å; S62-S66 PolarHBondContact O-OG 3.19Å; F63-S66 WeakPolarHBondContact CA-OG 3.38Å; F63-S66 PolarHBondContact O-N 3.08Å; F63-S66 PolarHBondContact O-OG 3.25Å; S66-H70 WeakPolarHBondContact O-CB 3.28Å; S66-H70 PolarHBondContact O-N 3.45Å; S66-H70 VanDerWaalsContact O-N 3.13Å
67I86.1Confident77.2Confident52 Ų5269.8 Ų69.827%0.26736%0.357SS..Hα-helixtrans-63.7-45.8173.9-68.6168.8000110.9F63 Q64 L65 V69 K73F63-I67 HydrophobicContact CD1-CD1 3.73Å; F63-I67 HydrophobicContact CD1-CG1 4.38Å; F63-I67 HydrophobicContact CE1-CD1 3.76Å; F63-I67 HydrophobicContact CE1-CG1 4.39Å; F63-I67 WeakPolarHBondContact O-CG1 3.46Å; F63-I67 PolarHBondContact O-N 2.92Å; F63-I67 VanDerWaalsContact O-N 3.13Å; Q64-I67 PolarHBondContact O-N 3.38Å; L65-I67 VanDerWaalsContact C-N 3.26Å; L65-I67 PolarHBondContact O-N 3.33Å; I67-V69 PolarHBondContact O-N 3.05Å; I67-K73 HydrophobicContact CG2-CD 3.89Å; I67-K73 VanDerWaalsContact CG2-NZ 3.32Å; I67-K73 WeakPolarHBondContact O-CD 3.34Å
68L85.7Confident79.7Confident26 Ų2675.2 Ų75.214%0.13637%0.371CS..Hα-helixtrans-65.7-37.4-176.6-70.8171.8000112.7L27 S29 Q32 Q64 L65 N74L27-L68 HydrophobicContact CD1-CD1 3.85Å; L27-L68 HydrophobicContact CG-CD1 3.91Å; S29-L68 WeakPolarHBondContact CB-O 3.49Å; S29-L68 PolarHBondContact OG-O 3.2Å; S29-L68 VanDerWaalsContact OG-O 3.09Å; Q32-L68 HydrophobicContact CG-CD1 4.13Å; Q64-L68 WeakPolarHBondContact O-CG 3.45Å; Q64-L68 PolarHBondContact O-N 3.37Å; L65-L68 PolarHBondContact O-N 3.17Å; L65-L68 VanDerWaalsContact O-N 3.15Å; L68-N74 PolarHBondContact O-ND2 3.02Å
69V86.5Confident81.5Confident0 Ų079.5 Ų79.50%039%0.391CS..THydrogen-bonded Turntrans-98.75.2-176-49.20000113.6Q32 I33 L36 L65 I67 A81 A84 F85 L88Q32-V69 HydrophobicContact CB-CG1 3.71Å; I33-V69 HydrophobicContact CG1-CB 4.12Å; I33-V69 HydrophobicContact CG1-CG1 4.08Å; L36-V69 HydrophobicContact CD1-CG1 3.91Å; L36-V69 HydrophobicContact CD1-CG2 4.45Å; L65-V69 WeakPolarHBondContact O-CG2 3.37Å; L65-V69 PolarHBondContact O-N 3.01Å; I67-V69 PolarHBondContact O-N 3.05Å; V69-A81 CarbonylContact O-C 3.46Å; V69-A81 WeakPolarHBondContact O-CB 3.42Å; V69-A84 HydrophobicContact CB-CB 4.28Å; V69-F85 HydrophobicContact CG2-CB 4.25Å; V69-F85 HydrophobicContact CG2-CD2 4.28Å; V69-L88 HydrophobicContact CG2-CD1 3.37Å; V69-L88 HydrophobicContact CG2-CG 4.4Å
70H89.8Confident83.2Confident74 Ų7475.4 Ų75.434%0.34337%0.374SS..  trans-62.7137.6179.6-164-94000110.8S66 D72 K73 N74 F85S66-H70 WeakPolarHBondContact O-CB 3.28Å; S66-H70 PolarHBondContact O-N 3.45Å; S66-H70 VanDerWaalsContact O-N 3.13Å; H70-D72 VanDerWaalsContact C-N 3.26Å; H70-D72 WeakPolarHBondContact ND1-CB 3.41Å; H70-D72 PolarHBondContact ND1-N 2.89Å; H70-D72 PolarHBondContact O-N 3.45Å; H70-K73 PolarHBondContact O-N 3.47Å; H70-K73 VanDerWaalsContact O-N 3.16Å; H70-N74 PolarHBondContact O-N 3.31Å; H70-N74 PolarHBondContact O-ND2 2.67Å; H70-F85 AromaticContact CD2-CE2 3.93Å
71P92.5Very high85.2Confident22 Ų2269.7 Ų69.714%0.14334%0.344CS..G310 helixtrans-60.7-32-178.924.5-36.9000113.5K73 N74 R78 A81P71-K73 VanDerWaalsContact C-N 3.35Å; P71-K73 PolarHBondContact O-N 3.05Å; P71-N74 CarbonylContact O-C 3.58Å; P71-N74 PolarHBondContact O-N 3.27Å; P71-R78 HydrophobicContact CB-CB 4.49Å; P71-A81 HydrophobicContact CB-CB 4.4Å
72D91.8Very high86.8Confident135 Ų13570.6 Ų70.672%0.72235%0.349SS*.G310 helixtrans-64.1-37.1176.9-170.957000112.9H70 N74H70-D72 VanDerWaalsContact C-N 3.26Å; H70-D72 WeakPolarHBondContact ND1-CB 3.41Å; H70-D72 PolarHBondContact ND1-N 2.89Å; H70-D72 PolarHBondContact O-N 3.45Å; D72-N74 VanDerWaalsContact C-N 3.3Å; D72-N74 PolarHBondContact O-N 3.41Å
73K89.5Confident87.9Confident132 Ų13274 Ų7457%0.57436%0.36SS*.G310 helixtrans-79-14.2178.5-68.4-146.9175.9-164.20113.7I67 H70 P71 P75I67-K73 HydrophobicContact CG2-CD 3.89Å; I67-K73 VanDerWaalsContact CG2-NZ 3.32Å; I67-K73 WeakPolarHBondContact O-CD 3.34Å; H70-K73 PolarHBondContact O-N 3.47Å; H70-K73 VanDerWaalsContact O-N 3.16Å; P71-K73 VanDerWaalsContact C-N 3.35Å; P71-K73 PolarHBondContact O-N 3.05Å; K73-P75 WeakPolarHBondContact O-CD 3.4Å
74N89.5Confident88.7Confident17 Ų1767.4 Ų67.49%0.09133%0.331CS..  trans-12365.2-177-60.5-80.4000109.5S29 I33 L68 H70 P71 D72 D76 D77 R78 A81S29-N74 WeakPolarHBondContact CB-OD1 3.31Å; I33-N74 HydrophobicContact CD1-CB 4.21Å; L68-N74 PolarHBondContact O-ND2 3.02Å; H70-N74 PolarHBondContact O-N 3.31Å; H70-N74 PolarHBondContact O-ND2 2.67Å; P71-N74 CarbonylContact O-C 3.58Å; P71-N74 PolarHBondContact O-N 3.27Å; D72-N74 VanDerWaalsContact C-N 3.3Å; D72-N74 PolarHBondContact O-N 3.41Å; N74-D76 PolarHBondContact O-N 3.44Å; N74-D77 CarbonylContact O-C 3.4Å; N74-D77 PolarHBondContact O-N 3.33Å; N74-D77 VanDerWaalsContact O-N 3.09Å; N74-R78 PolarHBondContact O-N 3.25Å; N74-A81 HydrophobicContact CB-CB 3.97Å
75P89.3Confident89.3Confident73 Ų7365.4 Ų65.447%0.47432%0.321SS..G310 helixtrans-62.6-26-174.126.4-35.6000113.1K73 R78K73-P75 WeakPolarHBondContact O-CD 3.4Å; P75-R78 WeakPolarHBondContact O-CG 3.21Å; P75-R78 PolarHBondContact O-NE 3.46Å
76D91.7Very high89.7Confident150 Ų15068.9 Ų68.980%0.80234%0.339SS*.G310 helixtrans-74.9-24.8178.6-56.8-28.6000113.3N74N74-D76 PolarHBondContact O-N 3.44Å
77D90.9Very high89.7Confident59 Ų5969.8 Ų69.832%0.31634%0.344SS..G310 helixtrans-137.947.8-172-165.614.6000111.9N74 E79 N80 A81N74-D77 CarbonylContact O-C 3.4Å; N74-D77 PolarHBondContact O-N 3.33Å; N74-D77 VanDerWaalsContact O-N 3.09Å; D77-E79 VanDerWaalsContact C-N 3.31Å; D77-E79 PolarHBondContact O-N 2.95Å; D77-N80 PolarHBondContact O-N 3.22Å; D77-N80 VanDerWaalsContact OD1-CB 3.23Å; D77-N80 WeakPolarHBondContact OD1-CB 3.47Å; D77-N80 VanDerWaalsContact OD1-CG 3.3Å; D77-N80 PolarHBondContact OD1-ND2 3.1Å; D77-N80 WeakPolarHBondContact OD2-CB 3.4Å; D77-N80 PolarHBondContact OD2-ND2 3.16Å; D77-A81 WeakPolarHBondContact O-CB 3.37Å; D77-A81 PolarHBondContact O-N 2.88Å
78R92.2Very high89.5Confident163 Ų16368.6 Ų68.662%0.61534%0.338SS*.Hα-helixtrans-60.5-38-173.2-62.5-173.1-152.7178.11.5113.3P71 N74 P75 Q82P71-R78 HydrophobicContact CB-CB 4.49Å; N74-R78 PolarHBondContact O-N 3.25Å; P75-R78 WeakPolarHBondContact O-CG 3.21Å; P75-R78 PolarHBondContact O-NE 3.46Å; R78-Q82 WeakPolarHBondContact O-CB 3.43Å; R78-Q82 PolarHBondContact O-N 2.86Å
79E93.2Very high89.4Confident146 Ų14672.8 Ų72.868%0.68236%0.355SS*.Hα-helixtrans-66.7-45.9-177.5-67.7-170.7-177.700112.1D77 Q82 K83D77-E79 VanDerWaalsContact C-N 3.31Å; D77-E79 PolarHBondContact O-N 2.95Å; E79-Q82 PolarHBondContact O-N 3.15Å; E79-K83 VanDerWaalsContact O-CG 3.32Å; E79-K83 WeakPolarHBondContact O-CG 3.46Å; E79-K83 PolarHBondContact O-N 2.65Å
80N91.7Very high89.3Confident55 Ų5579 Ų7929%0.29438%0.382SS..Hα-helixtrans-73.4-36.7178.6-67-38.4000111I33 L37 D77 Q82 K83 A84I33-N80 HydrophobicContact CG2-CB 3.73Å; L37-N80 HydrophobicContact CD1-CB 3.43Å; L37-N80 VanDerWaalsContact CD1-CB 3.43Å; D77-N80 PolarHBondContact O-N 3.22Å; D77-N80 VanDerWaalsContact OD1-CB 3.23Å; D77-N80 WeakPolarHBondContact OD1-CB 3.47Å; D77-N80 VanDerWaalsContact OD1-CG 3.3Å; D77-N80 PolarHBondContact OD1-ND2 3.1Å; D77-N80 WeakPolarHBondContact OD2-CB 3.4Å; D77-N80 PolarHBondContact OD2-ND2 3.16Å; N80-Q82 VanDerWaalsContact C-N 3.33Å; N80-Q82 PolarHBondContact O-N 3.38Å; N80-K83 PolarHBondContact O-N 3.41Å; N80-A84 VanDerWaalsContact O-CB 3.28Å; N80-A84 WeakPolarHBondContact O-CB 3.43Å; N80-A84 PolarHBondContact O-N 2.95Å
81A92.4Very high88.8Confident0 Ų076 Ų760%037%0.37CS..Hα-helixtrans-56.8-46.4170.900000111.4I33 V69 P71 N74 D77 A84 F85I33-A81 HydrophobicContact CD1-CB 3.83Å; V69-A81 CarbonylContact O-C 3.46Å; V69-A81 WeakPolarHBondContact O-CB 3.42Å; P71-A81 HydrophobicContact CB-CB 4.4Å; N74-A81 HydrophobicContact CB-CB 3.97Å; D77-A81 WeakPolarHBondContact O-CB 3.37Å; D77-A81 PolarHBondContact O-N 2.88Å; A81-A84 PolarHBondContact O-N 3.35Å; A81-F85 WeakPolarHBondContact O-CB 3.37Å; A81-F85 PolarHBondContact O-N 2.97Å
82Q92.8Very high88.2Confident77 Ų7777.3 Ų77.336%0.3638%0.375SS..Hα-helixtrans-60.7-48.4175.7-174.56253.300111.8R78 E79 N80 A84 F85 D86R78-Q82 WeakPolarHBondContact O-CB 3.43Å; R78-Q82 PolarHBondContact O-N 2.86Å; E79-Q82 PolarHBondContact O-N 3.15Å; N80-Q82 VanDerWaalsContact C-N 3.33Å; N80-Q82 PolarHBondContact O-N 3.38Å; Q82-A84 VanDerWaalsContact C-N 3.3Å; Q82-A84 PolarHBondContact O-N 3.27Å; Q82-F85 WeakPolarHBondContact O-CB 3.35Å; Q82-F85 PolarHBondContact O-N 2.97Å; Q82-D86 PolarHBondContact NE2-OD1 3.48Å; Q82-D86 VanDerWaalsContact O-CG 3.24Å; Q82-D86 PolarHBondContact O-N 3.28Å
83K90.1Very high87.7Confident103 Ų10375.1 Ų75.145%0.44836%0.361SS..Hα-helixtrans-58.8-42.2176.9-69.4167.7-170.3162.40111.7L37 E79 N80 D86 V87L37-K83 HydrophobicContact CD1-CB 4.42Å; L37-K83 HydrophobicContact CD2-CB 3.63Å; E79-K83 VanDerWaalsContact O-CG 3.32Å; E79-K83 WeakPolarHBondContact O-CG 3.46Å; E79-K83 PolarHBondContact O-N 2.65Å; N80-K83 PolarHBondContact O-N 3.41Å; K83-D86 PolarHBondContact O-N 3.43Å; K83-V87 VanDerWaalsContact O-CG2 3.28Å; K83-V87 WeakPolarHBondContact O-CG2 3.42Å; K83-V87 PolarHBondContact O-N 2.88Å; K83-V87 VanDerWaalsContact O-N 3.11Å
84A87.2Confident87.3Confident0 Ų070.2 Ų70.20%034%0.342CS..Hα-helixtrans-65.6-41.1177.700000111.6I33 L36 L37 V69 N80 A81 Q82 V87 L88I33-A84 HydrophobicContact CB-CB 4.48Å; I33-A84 HydrophobicContact CG1-CB 4.29Å; I33-A84 HydrophobicContact CG2-CB 4.3Å; L36-A84 HydrophobicContact CB-CB 4.01Å; L36-A84 HydrophobicContact CD1-CB 3.85Å; L37-A84 HydrophobicContact CD2-CB 4.49Å; L37-A84 HydrophobicContact CG-CB 4.37Å; V69-A84 HydrophobicContact CB-CB 4.28Å; N80-A84 VanDerWaalsContact O-CB 3.28Å; N80-A84 WeakPolarHBondContact O-CB 3.43Å; N80-A84 PolarHBondContact O-N 2.95Å; A81-A84 PolarHBondContact O-N 3.35Å; Q82-A84 VanDerWaalsContact C-N 3.3Å; Q82-A84 PolarHBondContact O-N 3.27Å; A84-V87 PolarHBondContact O-N 2.87Å; A84-L88 PolarHBondContact O-N 3.35Å
85F88.8Confident86.7Confident55 Ų5570.4 Ų70.424%0.24134%0.343CS..Hα-helixtrans-63.2-43.7175.2-172.7-92.5000112.1V69 H70 A81 Q82 V87 L88 K89V69-F85 HydrophobicContact CG2-CB 4.25Å; V69-F85 HydrophobicContact CG2-CD2 4.28Å; H70-F85 AromaticContact CD2-CE2 3.93Å; A81-F85 WeakPolarHBondContact O-CB 3.37Å; A81-F85 PolarHBondContact O-N 2.97Å; Q82-F85 WeakPolarHBondContact O-CB 3.35Å; Q82-F85 PolarHBondContact O-N 2.97Å; F85-V87 VanDerWaalsContact C-N 3.28Å; F85-V87 PolarHBondContact O-N 3.01Å; F85-L88 WeakPolarHBondContact O-CB 3.48Å; F85-L88 PolarHBondContact O-N 3.27Å; F85-L88 VanDerWaalsContact O-N 3.13Å; F85-K89 PolarHBondContact O-N 2.86Å
86D88.1Confident86.4Confident78 Ų7872.3 Ų72.342%0.41735%0.345SS..Hα-helixtrans-61.8-38176.5-66.6-22.1000111.7Q82 K83 K89 K90Q82-D86 PolarHBondContact NE2-OD1 3.48Å; Q82-D86 VanDerWaalsContact O-CG 3.24Å; Q82-D86 PolarHBondContact O-N 3.28Å; K83-D86 PolarHBondContact O-N 3.43Å; D86-K89 PolarHBondContact O-N 3.42Å; D86-K90 WeakPolarHBondContact O-CB 2.84Å; D86-K90 PolarHBondContact O-N 2.84Å
87V84Confident86Confident49 Ų4969.4 Ų69.430%0.29733%0.33SS..Hα-helixtrans-64.4-42.3174.2171.50000111.4N45 K83 A84 F85 A91N45-V87 HydrophobicContact CB-CG1 3.91Å; N45-V87 WeakPolarHBondContact ND2-CG1 3.46Å; K83-V87 VanDerWaalsContact O-CG2 3.28Å; K83-V87 WeakPolarHBondContact O-CG2 3.42Å; K83-V87 PolarHBondContact O-N 2.88Å; K83-V87 VanDerWaalsContact O-N 3.11Å; A84-V87 PolarHBondContact O-N 2.87Å; F85-V87 VanDerWaalsContact C-N 3.28Å; F85-V87 PolarHBondContact O-N 3.01Å; V87-A91 WeakPolarHBondContact O-CB 3.43Å; V87-A91 PolarHBondContact O-N 3.45Å
88L82.2Confident85.8Confident26 Ų2670.2 Ų70.214%0.13634%0.338CS..Hα-helixtrans-63.6-44174.5-73-178.3000111.9L36 L65 V69 A84 F85 K90 A91 L92L36-L88 HydrophobicContact CD1-CD1 4.05Å; L36-L88 HydrophobicContact CD1-CD2 4Å; L36-L88 HydrophobicContact CD1-CG 3.79Å; L36-L88 HydrophobicContact CD2-CD2 3.85Å; L36-L88 HydrophobicContact CD2-CG 4.39Å; L65-L88 HydrophobicContact CB-CD1 3.87Å; L65-L88 HydrophobicContact CD1-CD2 4.16Å; V69-L88 HydrophobicContact CG2-CD1 3.37Å; V69-L88 HydrophobicContact CG2-CG 4.4Å; A84-L88 PolarHBondContact O-N 3.35Å; F85-L88 WeakPolarHBondContact O-CB 3.48Å; F85-L88 PolarHBondContact O-N 3.27Å; F85-L88 VanDerWaalsContact O-N 3.13Å; L88-K90 PolarHBondContact O-N 2.85Å; L88-A91 WeakPolarHBondContact O-CB 3.29Å; L88-A91 PolarHBondContact O-N 3.48Å; L88-L92 PolarHBondContact O-N 3.2Å
89K84.2Confident85.6Confident115 Ų11569.1 Ų69.150%0.535%0.345SS..Hα-helixtrans-58.6-48.9177.3-177.2179.7176.4-176.80111.1F85 D86 A91 L92 E93F85-K89 PolarHBondContact O-N 2.86Å; D86-K89 PolarHBondContact O-N 3.42Å; K89-A91 VanDerWaalsContact C-N 3.29Å; K89-A91 PolarHBondContact O-N 2.94Å; K89-L92 WeakPolarHBondContact O-CB 3.46Å; K89-L92 PolarHBondContact O-N 3.48Å; K89-L92 VanDerWaalsContact O-N 3.15Å; K89-E93 WeakPolarHBondContact CE-OE1 3.41Å; K89-E93 WeakPolarHBondContact O-CG 3.44Å; K89-E93 PolarHBondContact O-N 3.3Å
90K82.6Confident85Confident131 Ų13166 Ų6657%0.5733%0.33SS*.Hα-helixtrans-59.5-39.3175.7-178.2175.9-178.5173.80112.5D86 L88 T94D86-K90 WeakPolarHBondContact O-CB 2.84Å; D86-K90 PolarHBondContact O-N 2.84Å; L88-K90 PolarHBondContact O-N 2.85Å; K90-T94 WeakPolarHBondContact O-CB 3.45Å; K90-T94 PolarHBondContact O-N 3.3Å; K90-T94 PolarHBondContact O-OG1 2.91Å
91A79.2Confident84.5Confident10 Ų1068.2 Ų68.28%0.08333%0.334CS..Hα-helixtrans-64.7-42.9176.200000111.4L46 V87 L88 K89 T94 L95L46-A91 HydrophobicContact CD2-CB 4.16Å; V87-A91 WeakPolarHBondContact O-CB 3.43Å; V87-A91 PolarHBondContact O-N 3.45Å; L88-A91 WeakPolarHBondContact O-CB 3.29Å; L88-A91 PolarHBondContact O-N 3.48Å; K89-A91 VanDerWaalsContact C-N 3.29Å; K89-A91 PolarHBondContact O-N 2.94Å; A91-T94 WeakPolarHBondContact O-CB 3.28Å; A91-T94 PolarHBondContact O-N 3.32Å; A91-L95 VanDerWaalsContact O-CG 3.31Å; A91-L95 WeakPolarHBondContact O-CG 3.38Å; A91-L95 PolarHBondContact O-N 3.32Å; A91-L95 VanDerWaalsContact O-N 3.11Å
92L79.9Confident84.1Confident50 Ų5070.7 Ų70.726%0.26235%0.354SS..Hα-helixtrans-62-49.3176.6-175.764.7000111.6L88 K89 T94 L95 E96L88-L92 PolarHBondContact O-N 3.2Å; K89-L92 WeakPolarHBondContact O-CB 3.46Å; K89-L92 PolarHBondContact O-N 3.48Å; K89-L92 VanDerWaalsContact O-N 3.15Å; L92-T94 PolarHBondContact O-N 2.93Å; L92-L95 WeakPolarHBondContact O-CA 3.44Å; L92-L95 WeakPolarHBondContact O-CB 3.31Å; L92-L95 PolarHBondContact O-N 2.59Å; L92-E96 WeakPolarHBondContact O-CG 3.47Å; L92-E96 PolarHBondContact O-N 2.88Å
93E83Confident83.7Confident89 Ų8973.3 Ų73.342%0.41636%0.361SS..Hα-helixtrans-56.8-39.3175.4-70.6170.2-18000111.6K89 L95 N97K89-E93 WeakPolarHBondContact CE-OE1 3.41Å; K89-E93 WeakPolarHBondContact O-CG 3.44Å; K89-E93 PolarHBondContact O-N 3.3Å; E93-L95 VanDerWaalsContact C-N 3.27Å; E93-L95 PolarHBondContact O-N 2.93Å; E93-N97 PolarHBondContact O-N 3.5Å; E93-N97 PolarHBondContact O-ND2 3.16Å
94T80Confident83.3Confident29 Ų2969 Ų6918%0.17834%0.343CS..Hα-helixtrans-64.9-31.7176.4-56.80000111.9K90 A91 L92 Q100 I104K90-T94 WeakPolarHBondContact O-CB 3.45Å; K90-T94 PolarHBondContact O-N 3.3Å; K90-T94 PolarHBondContact O-OG1 2.91Å; A91-T94 WeakPolarHBondContact O-CB 3.28Å; A91-T94 PolarHBondContact O-N 3.32Å; L92-T94 PolarHBondContact O-N 2.93Å; T94-Q100 HydrophobicContact CG2-CB 3.74Å; T94-Q100 HydrophobicContact CG2-CG 4.24Å; T94-Q100 VanDerWaalsContact O-CB 3.23Å; T94-Q100 WeakPolarHBondContact O-CB 3.5Å; T94-I104 HydrophobicContact CG2-CD1 3.77Å
95L76.7Confident83.1Confident21 Ų2175 Ų7511%0.1137%0.365CS..Hα-helixtrans-83.2-31-179.4-68.9169.7000113.7P48 A91 L92 E93 N97 I104P48-L95 HydrophobicContact CB-CD1 4Å; P48-L95 HydrophobicContact CB-CD2 3.5Å; P48-L95 HydrophobicContact CB-CG 4.41Å; P48-L95 HydrophobicContact CG-CD2 3.48Å; P48-L95 VanDerWaalsContact CG-CD2 3.48Å; A91-L95 VanDerWaalsContact O-CG 3.31Å; A91-L95 WeakPolarHBondContact O-CG 3.38Å; A91-L95 PolarHBondContact O-N 3.32Å; A91-L95 VanDerWaalsContact O-N 3.11Å; L92-L95 WeakPolarHBondContact O-CA 3.44Å; L92-L95 WeakPolarHBondContact O-CB 3.31Å; L92-L95 PolarHBondContact O-N 2.59Å; E93-L95 VanDerWaalsContact C-N 3.27Å; E93-L95 PolarHBondContact O-N 2.93Å; L95-N97 VanDerWaalsContact C-N 3.28Å; L95-I104 HydrophobicContact CD2-CD1 4.4Å
96E82.6Confident83.1Confident113 Ų11377.3 Ų77.353%0.52838%0.38SS..Hα-helixtrans-65.8-35.7173.2-71.9174.2176.600111L92 P98L92-E96 WeakPolarHBondContact O-CG 3.47Å; L92-E96 PolarHBondContact O-N 2.88Å; E96-P98 WeakPolarHBondContact O-CD 3.41Å
97N84.9Confident83Confident88 Ų8873.9 Ų73.947%0.47136%0.361SS..SBendtrans-69.6114.2176.3-79-62000112.1E93 L95 N99 Q100 R101E93-N97 PolarHBondContact O-N 3.5Å; E93-N97 PolarHBondContact O-ND2 3.16Å; L95-N97 VanDerWaalsContact C-N 3.28Å; N97-N99 VanDerWaalsContact C-N 3.32Å; N97-N99 PolarHBondContact O-N 2.96Å; N97-Q100 HydrophobicContact CB-CB 4.11Å; N97-Q100 HydrophobicContact CB-CG 4.05Å; N97-Q100 PolarHBondContact O-N 3.46Å; N97-R101 WeakPolarHBondContact O-CB 3.47Å; N97-R101 PolarHBondContact O-N 2.74Å
98P85.9Confident83Confident77 Ų7774.5 Ų74.550%0.536%0.359SS..Hα-helixtrans-63.6-35.5-174.323.9-33.4000113.1E96 R101 A102E96-P98 WeakPolarHBondContact O-CD 3.41Å; P98-R101 PolarHBondContact O-N 3.06Å; P98-A102 WeakPolarHBondContact O-CB 3.3Å; P98-A102 PolarHBondContact O-N 2.77Å
99N87.1Confident83.4Confident139 Ų13978.1 Ų78.174%0.74338%0.375SS*.Hα-helixtrans-65.2-44178.3-67.9-28.1000112.1N97 A102 R103N97-N99 VanDerWaalsContact C-N 3.32Å; N97-N99 PolarHBondContact O-N 2.96Å; N99-A102 PolarHBondContact O-N 2.96Å; N99-R103 PolarHBondContact O-N 3.37Å
100Q81.6Confident83.6Confident81 Ų8175.2 Ų75.238%0.37936%0.363SS..Hα-helixtrans-69.5-40.8177.5-65-63.8-7.300110.7T94 N97 A102 R103 I104T94-Q100 HydrophobicContact CG2-CB 3.74Å; T94-Q100 HydrophobicContact CG2-CG 4.24Å; T94-Q100 VanDerWaalsContact O-CB 3.23Å; T94-Q100 WeakPolarHBondContact O-CB 3.5Å; N97-Q100 HydrophobicContact CB-CB 4.11Å; N97-Q100 HydrophobicContact CB-CG 4.05Å; N97-Q100 PolarHBondContact O-N 3.46Å; Q100-A102 VanDerWaalsContact C-N 3.33Å; Q100-A102 PolarHBondContact O-N 3.4Å; Q100-R103 WeakPolarHBondContact O-CB 3.5Å; Q100-R103 PolarHBondContact O-N 3.07Å; Q100-R103 VanDerWaalsContact O-N 3.16Å; Q100-I104 WeakPolarHBondContact O-CG1 3.46Å; Q100-I104 PolarHBondContact O-N 2.93Å
101R80.6Confident83.9Confident102 Ų10269 Ų6939%0.38534%0.336SS..Hα-helixtrans-58.7-43.1173.7-172.7173.767.8-149.85.7112.4N97 P98 I104 R105N97-R101 WeakPolarHBondContact O-CB 3.47Å; N97-R101 PolarHBondContact O-N 2.74Å; P98-R101 PolarHBondContact O-N 3.06Å; R101-I104 PolarHBondContact O-N 2.87Å; R101-R105 WeakPolarHBondContact O-CB 3.21Å; R101-R105 PolarHBondContact O-N 3.31Å
102A84.9Confident84.2Confident51 Ų5172.9 Ų72.942%0.42135%0.351SS..Hα-helixtrans-62.3-43.1175.200000111.5P98 N99 Q100 I104 R105 L106P98-A102 WeakPolarHBondContact O-CB 3.3Å; P98-A102 PolarHBondContact O-N 2.77Å; N99-A102 PolarHBondContact O-N 2.96Å; Q100-A102 VanDerWaalsContact C-N 3.33Å; Q100-A102 PolarHBondContact O-N 3.4Å; A102-I104 PolarHBondContact O-N 3.16Å; A102-R105 WeakPolarHBondContact O-CB 3.45Å; A102-R105 PolarHBondContact O-N 2.97Å; A102-L106 WeakPolarHBondContact O-CG 3.33Å; A102-L106 PolarHBondContact O-N 3.49Å
103R83.1Confident84.8Confident133 Ų13372.4 Ų72.450%0.50235%0.354SS..Hα-helixtrans-59-46.1174.9-168.4-175-148.1-178.47112.3N99 Q100 R105 L106 I107N99-R103 PolarHBondContact O-N 3.37Å; Q100-R103 WeakPolarHBondContact O-CB 3.5Å; Q100-R103 PolarHBondContact O-N 3.07Å; Q100-R103 VanDerWaalsContact O-N 3.16Å; R103-R105 VanDerWaalsContact C-N 3.33Å; R103-L106 PolarHBondContact O-N 2.94Å; R103-I107 HydrophobicContact CG-CD1 4.48Å; R103-I107 WeakPolarHBondContact O-CG1 3.39Å; R103-I107 PolarHBondContact O-N 3.42Å; R103-I107 VanDerWaalsContact O-N 3.1Å
104I81.9Confident85Confident11 Ų1172.3 Ų72.36%0.05635%0.35CS..Hα-helixtrans-65-39.8178.6-66.4163.7000110.5P48 Y49 T94 L95 Q100 R101 A102 I107 Y108P48-I104 HydrophobicContact CG-CG2 3.85Å; Y49-I104 HydrophobicContact CE2-CG2 4.01Å; T94-I104 HydrophobicContact CG2-CD1 3.77Å; L95-I104 HydrophobicContact CD2-CD1 4.4Å; Q100-I104 WeakPolarHBondContact O-CG1 3.46Å; Q100-I104 PolarHBondContact O-N 2.93Å; R101-I104 PolarHBondContact O-N 2.87Å; A102-I104 PolarHBondContact O-N 3.16Å; I104-I107 PolarHBondContact O-N 3.39Å; I104-Y108 PolarHBondContact O-N 3.19Å
105R84.1Confident85.3Confident126 Ų12671 Ų7148%0.47534%0.342SS..Hα-helixtrans-59.4-46.4173.8-175.1179.4-66.6-164.8-1.6111.9R101 A102 R103 I107 Y108 E109R101-R105 WeakPolarHBondContact O-CB 3.21Å; R101-R105 PolarHBondContact O-N 3.31Å; A102-R105 WeakPolarHBondContact O-CB 3.45Å; A102-R105 PolarHBondContact O-N 2.97Å; R103-R105 VanDerWaalsContact C-N 3.33Å; R105-I107 VanDerWaalsContact C-N 3.3Å; R105-I107 PolarHBondContact O-N 3.4Å; R105-Y108 WeakPolarHBondContact O-CB 3.37Å; R105-Y108 PolarHBondContact O-N 3.03Å; R105-Y108 VanDerWaalsContact O-N 3.15Å; R105-E109 HydrophobicContact CG-CG 4.42Å; R105-E109 WeakPolarHBondContact CG-OE1 3.13Å; R105-E109 WeakPolarHBondContact O-CG 3.39Å; R105-E109 PolarHBondContact O-N 3.2Å
106L87.8Confident85.9Confident104 Ų10472.8 Ų72.855%0.54535%0.352SS..Hα-helixtrans-60.9-38.8176.8-70.7172.7000112.4A102 R103 E110A102-L106 WeakPolarHBondContact O-CG 3.33Å; A102-L106 PolarHBondContact O-N 3.49Å; R103-L106 PolarHBondContact O-N 2.94Å; L106-E110 VanDerWaalsContact O-CB 3.29Å; L106-E110 WeakPolarHBondContact O-CB 3.34Å; L106-E110 PolarHBondContact O-N 3.23Å
107I86.1Confident86.1Confident6 Ų675.5 Ų75.53%0.03136%0.362CS..Hα-helixtrans-64.5-42.7175.7-68.1168.5000110.8R103 I104 R105 E110 A111 T155 V158 F159 K162R103-I107 HydrophobicContact CG-CD1 4.48Å; R103-I107 WeakPolarHBondContact O-CG1 3.39Å; R103-I107 PolarHBondContact O-N 3.42Å; R103-I107 VanDerWaalsContact O-N 3.1Å; I104-I107 PolarHBondContact O-N 3.39Å; R105-I107 VanDerWaalsContact C-N 3.3Å; R105-I107 PolarHBondContact O-N 3.4Å; I107-E110 PolarHBondContact O-N 2.88Å; I107-A111 WeakPolarHBondContact O-CB 3.21Å; I107-A111 PolarHBondContact O-N 3.1Å; I107-T155 HydrophobicContact CG2-CG2 4.22Å; I107-V158 HydrophobicContact CG2-CB 4.2Å; I107-V158 HydrophobicContact CG2-CG1 3.93Å; I107-F159 HydrophobicContact CD1-CD2 3.63Å; I107-F159 HydrophobicContact CD1-CE2 3.91Å; I107-F159 HydrophobicContact CD1-CG 4.42Å; I107-F159 HydrophobicContact CG2-CB 4.23Å; I107-F159 HydrophobicContact CG2-CD2 4.26Å; I107-K162 HydrophobicContact CD1-CD 4.43Å; I107-K162 HydrophobicContact CG1-CD 4.03Å
108Y85.4Confident86.2Confident63 Ų6373.8 Ų73.825%0.24736%0.359CS..Hα-helixtrans-65-45.6177.4179.1-95.6000112.1Y49 I104 R105 E110 A111 K112 I151 T155Y49-Y108 HydrophobicContact CD2-CD1 4.41Å; Y49-Y108 AromaticContact CD2-CD2 3.59Å; Y49-Y108 HydrophobicContact CD2-CD2 3.59Å; Y49-Y108 HydrophobicContact CD2-CE2 4.27Å; Y49-Y108 AromaticContact CD2-CG 3.67Å; Y49-Y108 HydrophobicContact CD2-CG 3.67Å; Y49-Y108 HydrophobicContact CE2-CD1 4.46Å; Y49-Y108 HydrophobicContact CE2-CD2 4.33Å; Y49-Y108 AromaticContact CE2-CG 3.93Å; Y49-Y108 HydrophobicContact CE2-CG 3.93Å; Y49-Y108 AromaticContact CG-CD2 3.86Å; Y49-Y108 HydrophobicContact CG-CD2 3.86Å; Y49-Y108 HydrophobicContact CG-CE2 4.06Å; Y49-Y108 HydrophobicContact CG-CG 4.16Å; I104-Y108 PolarHBondContact O-N 3.19Å; R105-Y108 WeakPolarHBondContact O-CB 3.37Å; R105-Y108 PolarHBondContact O-N 3.03Å; R105-Y108 VanDerWaalsContact O-N 3.15Å; Y108-E110 VanDerWaalsContact C-N 3.33Å; Y108-E110 PolarHBondContact O-N 3.25Å; Y108-A111 PolarHBondContact O-N 3.37Å; Y108-K112 WeakPolarHBondContact O-CB 3.39Å; Y108-K112 PolarHBondContact O-N 3.24Å; Y108-I151 HydrophobicContact CD2-CG2 4.22Å; Y108-I151 HydrophobicContact CE2-CG2 3.57Å; Y108-T155 HydrophobicContact CD2-CG2 4.48Å
109E88.8Confident86.1Confident101 Ų10171.8 Ų71.847%0.47235%0.346SS..Hα-helixtrans-61.2-41.6176.4-74.3171.4-17400111.7R105 K112 A113R105-E109 HydrophobicContact CG-CG 4.42Å; R105-E109 WeakPolarHBondContact CG-OE1 3.13Å; R105-E109 WeakPolarHBondContact O-CG 3.39Å; R105-E109 PolarHBondContact O-N 3.2Å; E109-K112 PolarHBondContact O-N 2.9Å; E109-A113 VanDerWaalsContact O-CB 3.31Å; E109-A113 WeakPolarHBondContact O-CB 3.5Å; E109-A113 PolarHBondContact O-N 3.36Å
110E89.2Confident85.9Confident55 Ų5565.9 Ų65.926%0.25731%0.314SS..Hα-helixtrans-63-43.5173.9-177.7177.5169.400111.8L106 I107 Y108 A113 R114 V158 K162L106-E110 VanDerWaalsContact O-CB 3.29Å; L106-E110 WeakPolarHBondContact O-CB 3.34Å; L106-E110 PolarHBondContact O-N 3.23Å; I107-E110 PolarHBondContact O-N 2.88Å; Y108-E110 VanDerWaalsContact C-N 3.33Å; Y108-E110 PolarHBondContact O-N 3.25Å; E110-A113 PolarHBondContact O-N 2.91Å; E110-R114 WeakPolarHBondContact O-CB 3.46Å; E110-R114 VanDerWaalsContact O-CG 3.28Å; E110-R114 WeakPolarHBondContact O-CG 3.33Å; E110-R114 PolarHBondContact O-N 3.26Å; E110-R114 IonicContact OE1-CZ 3.39Å; E110-R114 IonicContact OE1-NE 2.73Å; E110-R114 PolarHBondContact OE1-NE 2.98Å; E110-R114 IonicContact OE1-NH2 3.87Å; E110-R114 PolarHBondContact OE1-NH2 3.36Å; E110-V158 HydrophobicContact CB-CG1 4.47Å; E110-V158 HydrophobicContact CG-CG1 4.18Å; E110-K162 WeakPolarHBondContact OE2-CE 2.96Å; E110-K162 IonicContact OE2-NZ 3.34Å; E110-K162 PolarHBondContact OE2-NZ 2.81Å
111A88Confident86.1Confident0 Ų064 Ų640%031%0.309CS..Hα-helixtrans-64.9-40.9177.500000112.5I107 Y108 R114 T115 N154 T155 V158I107-A111 WeakPolarHBondContact O-CB 3.21Å; I107-A111 PolarHBondContact O-N 3.1Å; Y108-A111 PolarHBondContact O-N 3.37Å; A111-R114 PolarHBondContact O-N 2.73Å; A111-T115 WeakPolarHBondContact O-CB 3.45Å; A111-T115 PolarHBondContact O-N 3.25Å; A111-T115 PolarHBondContact O-OG1 2.95Å; A111-N154 HydrophobicContact CB-CB 4.31Å; A111-T155 VanDerWaalsContact CB-CA 3.46Å; A111-T155 WeakPolarHBondContact CB-OG1 3.47Å; A111-V158 HydrophobicContact CB-CG2 4.07Å
112K87.4Confident86.3Confident92 Ų9264.7 Ų64.740%0.432%0.317SS..Hα-helixtrans-61.4-49.5172.8-175.1-179.7177.9-1720110.6Y108 E109 R114 T115 D116 I151Y108-K112 WeakPolarHBondContact O-CB 3.39Å; Y108-K112 PolarHBondContact O-N 3.24Å; E109-K112 PolarHBondContact O-N 2.9Å; K112-R114 VanDerWaalsContact C-N 3.34Å; K112-R114 PolarHBondContact O-N 2.97Å; K112-T115 WeakPolarHBondContact O-CA 3.43Å; K112-T115 WeakPolarHBondContact O-CB 3.5Å; K112-T115 PolarHBondContact O-N 2.73Å; K112-D116 PolarHBondContact O-N 3.45Å; K112-I151 HydrophobicContact CG-CD1 4.42Å
113A90.8Very high86.1Confident39 Ų3966.5 Ų66.532%0.32232%0.315SS..Hα-helixtrans-60.1-41.4177.900000112.7E109 E110 T115 K117E109-A113 VanDerWaalsContact O-CB 3.31Å; E109-A113 WeakPolarHBondContact O-CB 3.5Å; E109-A113 PolarHBondContact O-N 3.36Å; E110-A113 PolarHBondContact O-N 2.91Å; A113-T115 VanDerWaalsContact C-N 3.32Å; A113-T115 PolarHBondContact O-N 2.77Å; A113-K117 WeakPolarHBondContact O-CB 3.32Å; A113-K117 WeakPolarHBondContact O-CG 3.47Å; A113-K117 PolarHBondContact O-N 3.11Å
114R88.4Confident86.1Confident88 Ų8865.8 Ų65.833%0.33231%0.313SS..Hα-helixtrans-61.8-40.7173.7-73.8178.4-173.8-155.35.2111.4E110 A111 K112 A118 V119 E161E110-R114 WeakPolarHBondContact O-CB 3.46Å; E110-R114 VanDerWaalsContact O-CG 3.28Å; E110-R114 WeakPolarHBondContact O-CG 3.33Å; E110-R114 PolarHBondContact O-N 3.26Å; E110-R114 IonicContact OE1-CZ 3.39Å; E110-R114 IonicContact OE1-NE 2.73Å; E110-R114 PolarHBondContact OE1-NE 2.98Å; E110-R114 IonicContact OE1-NH2 3.87Å; E110-R114 PolarHBondContact OE1-NH2 3.36Å; A111-R114 PolarHBondContact O-N 2.73Å; K112-R114 VanDerWaalsContact C-N 3.34Å; K112-R114 PolarHBondContact O-N 2.97Å; R114-A118 WeakPolarHBondContact O-CB 3.23Å; R114-A118 PolarHBondContact O-N 3.34Å; R114-V119 PolarHBondContact O-N 3.39Å; R114-V119 VanDerWaalsContact O-N 3.16Å; R114-E161 IonicContact CZ-OE2 2.76Å; R114-E161 IonicContact NH1-OE2 3.87Å; R114-E161 PolarHBondContact NH1-OE2 3.03Å; R114-E161 IonicContact NH2-OE1 2.88Å; R114-E161 IonicContact NH2-OE2 3.22Å; R114-E161 PolarHBondContact NH2-OE2 3.39Å; R114-E161 VanDerWaalsContact NH2-OE2 3.16Å
115T87Confident86.3Confident0 Ų074 Ų740%034%0.343CS..Iπ-helixtrans-64.6-50.8178.1-54.40000111.2A111 K112 A113 V119 L120 Y147 L150 I151 N154A111-T115 WeakPolarHBondContact O-CB 3.45Å; A111-T115 PolarHBondContact O-N 3.25Å; A111-T115 PolarHBondContact O-OG1 2.95Å; K112-T115 WeakPolarHBondContact O-CA 3.43Å; K112-T115 WeakPolarHBondContact O-CB 3.5Å; K112-T115 PolarHBondContact O-N 2.73Å; A113-T115 VanDerWaalsContact C-N 3.32Å; A113-T115 PolarHBondContact O-N 2.77Å; T115-V119 PolarHBondContact O-N 3.48Å; T115-L120 HydrophobicContact CG2-CG 4.44Å; T115-L120 PolarHBondContact O-N 3.4Å; T115-Y147 HydrophobicContact CG2-CD2 4.4Å; T115-Y147 HydrophobicContact CG2-CE2 3.97Å; T115-L150 HydrophobicContact CG2-CB 4.49Å; T115-L150 HydrophobicContact CG2-CD2 3.52Å; T115-L150 HydrophobicContact CG2-CG 3.71Å; T115-I151 HydrophobicContact CG2-CG1 4.27Å; T115-N154 PolarHBondContact OG1-ND2 2.61Å
116D88.5Confident86.2Confident60 Ų6072 Ų7232%0.32134%0.34SS..Iπ-helixtrans-72-37.5-174.7-64.6-14.3000112.9K112 P121 Y147K112-D116 PolarHBondContact O-N 3.45Å; D116-P121 WeakPolarHBondContact O-CD 3.36Å; D116-P121 WeakPolarHBondContact O-CG 3.42Å; D116-Y147 VanDerWaalsContact OD1-CE2 3.3Å; D116-Y147 WeakPolarHBondContact OD1-CE2 3.2Å; D116-Y147 PolarHBondContact OD1-OH 2.93Å; D116-Y147 PolarHBondContact OD2-OH 3.42Å
117K87.3Confident85.8Confident170 Ų17070.1 Ų70.174%0.73933%0.33SS*.Iπ-helixtrans-97.1-25.5-172-62.1-178.2176.8-179.20114.5A113A113-K117 WeakPolarHBondContact O-CB 3.32Å; A113-K117 WeakPolarHBondContact O-CG 3.47Å; A113-K117 PolarHBondContact O-N 3.11Å
118A85.6Confident85.4Confident51 Ų5176.5 Ų76.542%0.42136%0.357SS..Iπ-helixtrans-113.5-60-178.500000111.3R114 P121 E122R114-A118 WeakPolarHBondContact O-CB 3.23Å; R114-A118 PolarHBondContact O-N 3.34Å; A118-P121 WeakPolarHBondContact O-CD 3.42Å; A118-E122 WeakPolarHBondContact O-CB 3.32Å; A118-E122 PolarHBondContact O-N 2.95Å
119V84.1Confident85.2Confident35 Ų3580.6 Ų80.621%0.21238%0.377CS..Iπ-helixtrans-65.9-51.7-169.8-177.70000112.4R114 T115 E122 K123 L150R114-V119 PolarHBondContact O-N 3.39Å; R114-V119 VanDerWaalsContact O-N 3.16Å; T115-V119 PolarHBondContact O-N 3.48Å; V119-E122 PolarHBondContact O-N 2.85Å; V119-K123 WeakPolarHBondContact O-CG 3.35Å; V119-K123 PolarHBondContact O-N 3.13Å; V119-L150 HydrophobicContact CG1-CD1 4.36Å; V119-L150 HydrophobicContact CG1-CD2 4.06Å
120L84.3Confident84.6Confident15 Ų1585.5 Ų85.58%0.07939%0.392CS..Hα-helixtrans-64-49.2-179.2-70.3175.3000112T115 E122 K123 R124 L139 E141 Y147 L150T115-L120 HydrophobicContact CG2-CG 4.44Å; T115-L120 PolarHBondContact O-N 3.4Å; L120-E122 VanDerWaalsContact C-N 3.34Å; L120-E122 PolarHBondContact O-N 2.88Å; L120-K123 PolarHBondContact O-N 2.94Å; L120-R124 WeakPolarHBondContact O-CG 3.41Å; L120-R124 PolarHBondContact O-N 2.93Å; L120-L139 HydrophobicContact CD2-CD1 4.07Å; L120-E141 HydrophobicContact CD2-CB 3.46Å; L120-E141 VanDerWaalsContact CD2-CB 3.46Å; L120-E141 HydrophobicContact CD2-CG 4.08Å; L120-Y147 HydrophobicContact CD1-CD2 4.21Å; L120-Y147 HydrophobicContact CD1-CE2 3.93Å; L120-L150 HydrophobicContact CD2-CD2 4.35Å
121P84.2Confident83.7Confident43 Ų4386.1 Ų86.128%0.27940%0.397SS..Hα-helixtrans-63.2-37.3178.2-26.237.9000113.4D116 A118 R124 R125D116-P121 WeakPolarHBondContact O-CD 3.36Å; D116-P121 WeakPolarHBondContact O-CG 3.42Å; A118-P121 WeakPolarHBondContact O-CD 3.42Å; P121-R124 PolarHBondContact O-N 3.16Å; P121-R125 WeakPolarHBondContact O-CB 3.12Å; P121-R125 WeakPolarHBondContact O-CG 3.45Å; P121-R125 PolarHBondContact O-N 2.97Å
122E85.5Confident82.7Confident116 Ų11694.4 Ų94.454%0.54243%0.433SS..Hα-helixtrans-64.5-44.6176.7-173.9173.3-16900111.3A118 V119 L120 R125 M126A118-E122 WeakPolarHBondContact O-CB 3.32Å; A118-E122 PolarHBondContact O-N 2.95Å; V119-E122 PolarHBondContact O-N 2.85Å; L120-E122 VanDerWaalsContact C-N 3.34Å; L120-E122 PolarHBondContact O-N 2.88Å; E122-R125 WeakPolarHBondContact O-CB 3.48Å; E122-R125 PolarHBondContact O-N 2.83Å; E122-M126 WeakPolarHBondContact O-CG 3.41Å; E122-M126 PolarHBondContact O-N 2.9Å
123K81.6Confident81.7Confident89 Ų8997.6 Ų97.639%0.38746%0.455SS..Hα-helixtrans-62.4-43.4174.1-75.4-165.1174-161.70112.6V119 L120 R125 M126 L127 L139 E141V119-K123 WeakPolarHBondContact O-CG 3.35Å; V119-K123 PolarHBondContact O-N 3.13Å; L120-K123 PolarHBondContact O-N 2.94Å; K123-R125 VanDerWaalsContact C-N 3.29Å; K123-R125 PolarHBondContact O-N 3.28Å; K123-M126 PolarHBondContact O-N 2.99Å; K123-L127 PolarHBondContact O-N 3.27Å; K123-L139 HydrophobicContact CB-CD1 4.25Å; K123-L139 HydrophobicContact CB-CD2 4.37Å; K123-E141 WeakPolarHBondContact CD-OE1 3.41Å; K123-E141 IonicContact NZ-OE1 3.07Å; K123-E141 PolarHBondContact NZ-OE1 3.28Å
124R82.9Confident80.2Confident118 Ų11897.1 Ų97.145%0.44545%0.451SS..Hα-helixtrans-60.3-39173.8-67.9-176.3-179175.4-0.9111.7L120 P121 K128 L139 D142L120-R124 WeakPolarHBondContact O-CG 3.41Å; L120-R124 PolarHBondContact O-N 2.93Å; P121-R124 PolarHBondContact O-N 3.16Å; R124-K128 WeakPolarHBondContact O-CG 3.47Å; R124-K128 PolarHBondContact O-N 2.76Å; R124-L139 HydrophobicContact CG-CD1 3.34Å; R124-L139 HydrophobicContact CG-CD2 4.48Å; R124-L139 HydrophobicContact CG-CG 3.89Å; R124-D142 IonicContact CZ-OD1 2.61Å; R124-D142 IonicContact NH2-OD1 3.89Å; R124-D142 PolarHBondContact NH2-OD1 3.22Å; R124-D142 IonicContact NH2-OD2 2.78Å
125R84.4Confident78.9Confident183 Ų18398.2 Ų98.269%0.69147%0.469SS*.Hα-helixtrans-67.9-40.6176.4-76171.9-180-172.60.7112.2P121 E122 K123 K129P121-R125 WeakPolarHBondContact O-CB 3.12Å; P121-R125 WeakPolarHBondContact O-CG 3.45Å; P121-R125 PolarHBondContact O-N 2.97Å; E122-R125 WeakPolarHBondContact O-CB 3.48Å; E122-R125 PolarHBondContact O-N 2.83Å; K123-R125 VanDerWaalsContact C-N 3.29Å; K123-R125 PolarHBondContact O-N 3.28Å; R125-K129 WeakPolarHBondContact O-CG 3.42Å; R125-K129 PolarHBondContact O-N 2.66Å
126M82.1Confident77.8Confident85 Ų85103.6 Ų103.642%0.41951%0.507SS..Hα-helixtrans-65-45176.4-70.2-57.7-157.500111E122 K123 K128 K129 Y130E122-M126 WeakPolarHBondContact O-CG 3.41Å; E122-M126 PolarHBondContact O-N 2.9Å; K123-M126 PolarHBondContact O-N 2.99Å; M126-K128 VanDerWaalsContact C-N 3.33Å; M126-K128 PolarHBondContact O-N 3.38Å; M126-K129 WeakPolarHBondContact O-CB 3.07Å; M126-K129 PolarHBondContact O-N 2.78Å; M126-K129 HydrophobicContact SD-CD 4.43Å; M126-Y130 WeakPolarHBondContact O-CD2 3.46Å; M126-Y130 PolarHBondContact O-N 3.22Å; M126-Y130 VanDerWaalsContact O-N 3.1Å
127L79.3Confident76.6Confident64 Ų64105.8 Ų105.834%0.33552%0.515SS..Hα-helixtrans-58.9-44.2179-166.862.6000111.7K123 K129 Y130 D131 Q137 L139K123-L127 PolarHBondContact O-N 3.27Å; L127-K129 PolarHBondContact O-N 3.13Å; L127-Y130 PolarHBondContact O-N 2.93Å; L127-D131 PolarHBondContact O-N 2.97Å; L127-Q137 HydrophobicContact CD2-CB 4.12Å; L127-L139 HydrophobicContact CD2-CD2 4.08Å
128K79.5Confident75.6Confident139 Ų139102.9 Ų102.960%0.60451%0.514SS*.Hα-helixtrans-63.9-23174.2-69.9-179.3-175.4-165.70114.8R124 M126 K132R124-K128 WeakPolarHBondContact O-CG 3.47Å; R124-K128 PolarHBondContact O-N 2.76Å; M126-K128 VanDerWaalsContact C-N 3.33Å; M126-K128 PolarHBondContact O-N 3.38Å; K128-K132 WeakPolarHBondContact O-CA 3.06Å; K128-K132 WeakPolarHBondContact O-CG 3.16Å
129K80.3Confident74.8Confident150 Ų150101.3 Ų101.365%0.65250%0.498SS*.Hα-helixtrans-80.6-42.4177.4-79.3-179.6177.8-176.20111.7R125 M126 L127R125-K129 WeakPolarHBondContact O-CG 3.42Å; R125-K129 PolarHBondContact O-N 2.66Å; M126-K129 WeakPolarHBondContact O-CB 3.07Å; M126-K129 PolarHBondContact O-N 2.78Å; M126-K129 HydrophobicContact SD-CD 4.43Å; L127-K129 PolarHBondContact O-N 3.13Å
130Y75.9Confident74.4Confident203 Ų203105.6 Ų105.680%0.79652%0.519SS*.Hα-helixtrans-73.2-33.3177.4-73.2-74000111.6M126 L127M126-Y130 WeakPolarHBondContact O-CD2 3.46Å; M126-Y130 PolarHBondContact O-N 3.22Å; M126-Y130 VanDerWaalsContact O-N 3.1Å; L127-Y130 PolarHBondContact O-N 2.93Å
131D70.2Confident73.9Confident68 Ų68105.9 Ų105.936%0.36452%0.52SS..  trans-129.883.9-178.3-155.6-18.2000109.8L127 D133 A134L127-D131 PolarHBondContact O-N 2.97Å; D131-D133 VanDerWaalsContact C-N 3.29Å; D131-A134 HydrophobicContact CB-CB 4.01Å; D131-A134 WeakPolarHBondContact OD1-CB 3.31Å; D131-A134 PolarHBondContact OD1-N 3.11Å; D131-A134 WeakPolarHBondContact OD2-CB 3.47Å
132K67Low73.5Confident175 Ų175107.2 Ų107.276%0.76153%0.525SS*.SBendtrans-69.7-28.6-178.7-85.5-179.9174.2177.30112.7K128K128-K132 WeakPolarHBondContact O-CA 3.06Å; K128-K132 WeakPolarHBondContact O-CG 3.16Å
133D66.4Low73.2Confident159 Ų159105.3 Ų105.385%0.8552%0.519SS*.SBendtrans-104.2-11.7-171.7-59.9-42.2000112.7D131D131-D133 VanDerWaalsContact C-N 3.29Å
134A60.5Low73.2Confident29 Ų29105 Ų10524%0.2453%0.526CS..SBendtrans-68.7137.6172.700000112.3D131D131-A134 HydrophobicContact CB-CB 4.01Å; D131-A134 WeakPolarHBondContact OD1-CB 3.31Å; D131-A134 PolarHBondContact OD1-N 3.11Å; D131-A134 WeakPolarHBondContact OD2-CB 3.47Å
135P60Low72.9Confident110 Ų110103.2 Ų103.271%0.71453%0.525SS*.  trans-55149.6166.824.3-31.6000109.3Q137P135-Q137 VanDerWaalsContact C-N 3.31Å; P135-Q137 WeakPolarHBondContact O-CG 3.49Å; P135-Q137 PolarHBondContact O-N 2.72Å
136S64.2Low72.7Confident114 Ų11496.6 Ų96.680%0.79751%0.505SS*.  trans-48.492.7-179-177.60000111
137Q63.9Low72.8Confident106 Ų10695 Ų9550%0.49549%0.494SS..PPolyproline II helixtrans-70.2136.8-177.3-72-167.5-10.500108.3L127 P135 L139L127-Q137 HydrophobicContact CD2-CB 4.12Å; P135-Q137 VanDerWaalsContact C-N 3.31Å; P135-Q137 WeakPolarHBondContact O-CG 3.49Å; P135-Q137 PolarHBondContact O-N 2.72Å; Q137-L139 PolarHBondContact O-N 3.01Å
138P65.6Low72.8Confident108 Ų10897.5 Ų97.570%0.70150%0.499SS*.PPolyproline II helixtrans-57.4130.1171.524.2-30.9000108.1
139L69.5Low72.8Confident18 Ų1899.6 Ų99.69%0.09450%0.503CS..PPolyproline II helixtrans-66.3147.4172.2-79.7-176.6000108.6L120 K123 R124 L127 Q137 E141 D142L120-L139 HydrophobicContact CD2-CD1 4.07Å; K123-L139 HydrophobicContact CB-CD1 4.25Å; K123-L139 HydrophobicContact CB-CD2 4.37Å; R124-L139 HydrophobicContact CG-CD1 3.34Å; R124-L139 HydrophobicContact CG-CD2 4.48Å; R124-L139 HydrophobicContact CG-CG 3.89Å; L127-L139 HydrophobicContact CD2-CD2 4.08Å; Q137-L139 PolarHBondContact O-N 3.01Å; L139-E141 HydrophobicContact CB-CB 4.45Å; L139-E141 PolarHBondContact O-N 3.26Å; L139-E141 VanDerWaalsContact O-N 3.14Å; L139-D142 PolarHBondContact N-OD2 3.05Å; L139-D142 VanDerWaalsContact O-CB 3.32Å; L139-D142 WeakPolarHBondContact O-CB 3.41Å; L139-D142 PolarHBondContact O-N 3.29Å
140L74.6Confident73Confident126 Ų12693.8 Ų93.866%0.6648%0.479SS*.G310 helixtrans-56.3-31.1170.1-177.463.6000110.8D142 D143 V146L140-D142 VanDerWaalsContact C-N 3.28Å; L140-D142 PolarHBondContact O-N 3.27Å; L140-D143 WeakPolarHBondContact O-CB 3.46Å; L140-D143 PolarHBondContact O-N 3Å; L140-V146 HydrophobicContact CD1-CG2 4.33Å; L140-V146 HydrophobicContact CG-CG1 4.25Å; L140-V146 HydrophobicContact CG-CG2 4.15Å; L140-V146 VanDerWaalsContact O-CB 3.31Å; L140-V146 WeakPolarHBondContact O-CB 3.1Å; L140-V146 WeakPolarHBondContact O-CG2 3.36Å
141E73.6Confident73.4Confident20 Ų2084.4 Ų84.49%0.09344%0.443CS..G310 helixtrans-75.2-6.8175.3-60.577.3-177.700115L120 K123 L139 V146 Y147 L150L120-E141 HydrophobicContact CD2-CB 3.46Å; L120-E141 VanDerWaalsContact CD2-CB 3.46Å; L120-E141 HydrophobicContact CD2-CG 4.08Å; K123-E141 WeakPolarHBondContact CD-OE1 3.41Å; K123-E141 IonicContact NZ-OE1 3.07Å; K123-E141 PolarHBondContact NZ-OE1 3.28Å; L139-E141 HydrophobicContact CB-CB 4.45Å; L139-E141 PolarHBondContact O-N 3.26Å; L139-E141 VanDerWaalsContact O-N 3.14Å; E141-V146 HydrophobicContact CB-CG1 4.45Å; E141-V146 HydrophobicContact CG-CG1 4.1Å; E141-Y147 WeakPolarHBondContact O-CB 3.36Å; E141-L150 HydrophobicContact CB-CD2 4.41Å; E141-L150 HydrophobicContact CG-CD2 3.83Å
142D76.2Confident73.9Confident72 Ų7283.7 Ų83.739%0.38544%0.435SS..G310 helixtrans-74.8-18.7170.6-64.3-32.4000110.8R124 L139 L140 P144R124-D142 IonicContact CZ-OD1 2.61Å; R124-D142 IonicContact NH2-OD1 3.89Å; R124-D142 PolarHBondContact NH2-OD1 3.22Å; R124-D142 IonicContact NH2-OD2 2.78Å; L139-D142 PolarHBondContact N-OD2 3.05Å; L139-D142 VanDerWaalsContact O-CB 3.32Å; L139-D142 WeakPolarHBondContact O-CB 3.41Å; L139-D142 PolarHBondContact O-N 3.29Å; L140-D142 VanDerWaalsContact C-N 3.28Å; L140-D142 PolarHBondContact O-N 3.27Å; D142-P144 WeakPolarHBondContact O-CD 3.14Å
143D80.2Confident74.7Confident76 Ų7677.8 Ų77.841%0.40641%0.414SS..SBendtrans-62.9123.4166.7-175.2-26000109.6L140 D145 V146 Y147L140-D143 WeakPolarHBondContact O-CB 3.46Å; L140-D143 PolarHBondContact O-N 3Å; D143-D145 PolarHBondContact O-N 3.46Å; D143-D145 WeakPolarHBondContact OD1-CB 2.97Å; D143-D145 PolarHBondContact OD1-N 3.42Å; D143-V146 HydrophobicContact CB-CB 4.28Å; D143-V146 HydrophobicContact CB-CG2 4Å; D143-V146 PolarHBondContact O-N 3.05Å; D143-V146 VanDerWaalsContact O-N 3.14Å; D143-Y147 WeakPolarHBondContact O-CB 3.22Å; D143-Y147 PolarHBondContact O-N 2.84Å
144P80.9Confident75.6Confident83 Ų8370.9 Ų70.954%0.53938%0.377SS..Hα-helixtrans-50.2-32.9177.4-28.135.1000114.3D142 R148D142-P144 WeakPolarHBondContact O-CD 3.14Å; P144-R148 WeakPolarHBondContact O-CB 3.48Å; P144-R148 VanDerWaalsContact O-CG 3.22Å; P144-R148 WeakPolarHBondContact O-CG 3.46Å; P144-R148 PolarHBondContact O-N 3.14Å; P144-R148 VanDerWaalsContact O-N 3.09Å; P144-R148 PolarHBondContact O-NH1 3.07Å
145D76.9Confident76.8Confident80 Ų8069.9 Ų69.943%0.42837%0.368SS..Hα-helixtrans-75-42.3-176.3-69.31.7000111.1D143 R148 R149D143-D145 PolarHBondContact O-N 3.46Å; D143-D145 WeakPolarHBondContact OD1-CB 2.97Å; D143-D145 PolarHBondContact OD1-N 3.42Å; D145-R148 IonicContact OD1-CZ 2.6Å; D145-R148 IonicContact OD1-NH1 3.39Å; D145-R148 PolarHBondContact OD1-NH1 3.03Å; D145-R148 IonicContact OD1-NH2 3.98Å; D145-R148 PolarHBondContact OD1-NH2 3.34Å; D145-R148 IonicContact OD2-NH2 3.82Å; D145-R149 PolarHBondContact O-N 3.34Å
146V79.8Confident77.8Confident43 Ų4366.5 Ų66.526%0.26134%0.343SS..Hα-helixtrans-69.2-42.1176.2-177.60000110.3L140 E141 D143 R148 R149 L150L140-V146 HydrophobicContact CD1-CG2 4.33Å; L140-V146 HydrophobicContact CG-CG1 4.25Å; L140-V146 HydrophobicContact CG-CG2 4.15Å; L140-V146 VanDerWaalsContact O-CB 3.31Å; L140-V146 WeakPolarHBondContact O-CB 3.1Å; L140-V146 WeakPolarHBondContact O-CG2 3.36Å; E141-V146 HydrophobicContact CB-CG1 4.45Å; E141-V146 HydrophobicContact CG-CG1 4.1Å; D143-V146 HydrophobicContact CB-CB 4.28Å; D143-V146 HydrophobicContact CB-CG2 4Å; D143-V146 PolarHBondContact O-N 3.05Å; D143-V146 VanDerWaalsContact O-N 3.14Å; V146-R148 PolarHBondContact O-N 3.39Å; V146-R149 PolarHBondContact O-N 2.99Å; V146-L150 WeakPolarHBondContact O-CB 3.29Å; V146-L150 PolarHBondContact O-N 3.41Å
147Y83.8Confident78.8Confident53 Ų5366.9 Ų66.921%0.20833%0.331CS..Hα-helixtrans-58.2-46.2175.4-179.2-115000112.2T115 D116 L120 E141 D143 R149 L150 I151T115-Y147 HydrophobicContact CG2-CD2 4.4Å; T115-Y147 HydrophobicContact CG2-CE2 3.97Å; D116-Y147 VanDerWaalsContact OD1-CE2 3.3Å; D116-Y147 WeakPolarHBondContact OD1-CE2 3.2Å; D116-Y147 PolarHBondContact OD1-OH 2.93Å; D116-Y147 PolarHBondContact OD2-OH 3.42Å; L120-Y147 HydrophobicContact CD1-CD2 4.21Å; L120-Y147 HydrophobicContact CD1-CE2 3.93Å; E141-Y147 WeakPolarHBondContact O-CB 3.36Å; D143-Y147 WeakPolarHBondContact O-CB 3.22Å; D143-Y147 PolarHBondContact O-N 2.84Å; Y147-R149 VanDerWaalsContact C-N 3.31Å; Y147-R149 PolarHBondContact O-N 3.09Å; Y147-L150 WeakPolarHBondContact O-CB 3.29Å; Y147-L150 PolarHBondContact O-N 3.45Å; Y147-L150 VanDerWaalsContact O-N 3.14Å; Y147-I151 HydrophobicContact CD1-CD1 3.74Å; Y147-I151 HydrophobicContact CD2-CD1 4.45Å; Y147-I151 HydrophobicContact CE1-CD1 3.18Å; Y147-I151 HydrophobicContact CE1-CG1 4.19Å; Y147-I151 HydrophobicContact CE2-CD1 3.97Å; Y147-I151 HydrophobicContact CE2-CG1 4.12Å; Y147-I151 HydrophobicContact CG-CD1 4.35Å; Y147-I151 PolarHBondContact O-N 2.92Å
148R79.6Confident79.9Confident115 Ų11561.9 Ų61.943%0.43431%0.307SS..Hα-helixtrans-58.4-44.9176.1-76.7-169.9-43.6-90.314.8111.2P144 D145 V146 L150 I151 W152P144-R148 WeakPolarHBondContact O-CB 3.48Å; P144-R148 VanDerWaalsContact O-CG 3.22Å; P144-R148 WeakPolarHBondContact O-CG 3.46Å; P144-R148 PolarHBondContact O-N 3.14Å; P144-R148 VanDerWaalsContact O-N 3.09Å; P144-R148 PolarHBondContact O-NH1 3.07Å; D145-R148 IonicContact OD1-CZ 2.6Å; D145-R148 IonicContact OD1-NH1 3.39Å; D145-R148 PolarHBondContact OD1-NH1 3.03Å; D145-R148 IonicContact OD1-NH2 3.98Å; D145-R148 PolarHBondContact OD1-NH2 3.34Å; D145-R148 IonicContact OD2-NH2 3.82Å; V146-R148 PolarHBondContact O-N 3.39Å; R148-L150 VanDerWaalsContact C-N 3.29Å; R148-L150 PolarHBondContact O-N 2.88Å; R148-I151 PolarHBondContact O-N 2.98Å; R148-W152 VanDerWaalsContact O-CB 3.29Å; R148-W152 WeakPolarHBondContact O-CB 3.46Å; R148-W152 PolarHBondContact O-N 2.92Å
149R80.3Confident80.7Confident183 Ų18358.5 Ų58.569%0.69128%0.282SS*.Hα-helixtrans-65.3-32.9178.2-156.7167.9-171.1171.21.1112.5D145 V146 Y147 W152 T153D145-R149 PolarHBondContact O-N 3.34Å; V146-R149 PolarHBondContact O-N 2.99Å; Y147-R149 VanDerWaalsContact C-N 3.31Å; Y147-R149 PolarHBondContact O-N 3.09Å; R149-W152 HydrophobicContact CG-CE3 4.49Å; R149-T153 WeakPolarHBondContact O-CB 3.42Å; R149-T153 PolarHBondContact O-N 3.46Å; R149-T153 PolarHBondContact O-OG1 3.24Å
150L84.5Confident81.5Confident28 Ų2858.3 Ų58.315%0.14728%0.282CS..Hα-helixtrans-70.5-49.3176.2-177.760.5000112.2T115 V119 L120 E141 V146 Y147 R148 W152 T153 N154T115-L150 HydrophobicContact CG2-CB 4.49Å; T115-L150 HydrophobicContact CG2-CD2 3.52Å; T115-L150 HydrophobicContact CG2-CG 3.71Å; V119-L150 HydrophobicContact CG1-CD1 4.36Å; V119-L150 HydrophobicContact CG1-CD2 4.06Å; L120-L150 HydrophobicContact CD2-CD2 4.35Å; E141-L150 HydrophobicContact CB-CD2 4.41Å; E141-L150 HydrophobicContact CG-CD2 3.83Å; V146-L150 WeakPolarHBondContact O-CB 3.29Å; V146-L150 PolarHBondContact O-N 3.41Å; Y147-L150 WeakPolarHBondContact O-CB 3.29Å; Y147-L150 PolarHBondContact O-N 3.45Å; Y147-L150 VanDerWaalsContact O-N 3.14Å; R148-L150 VanDerWaalsContact C-N 3.29Å; R148-L150 PolarHBondContact O-N 2.88Å; L150-W152 PolarHBondContact O-N 3.35Å; L150-T153 PolarHBondContact O-N 2.81Å; L150-N154 PolarHBondContact O-N 3.44Å
151I84.9Confident82.1Confident6 Ų656.4 Ų56.43%0.03127%0.27CS..Hα-helixtrans-56.3-44.8174.3-68.9165.9000109.8Y108 K112 T115 Y147 R148 N154 T155Y108-I151 HydrophobicContact CD2-CG2 4.22Å; Y108-I151 HydrophobicContact CE2-CG2 3.57Å; K112-I151 HydrophobicContact CG-CD1 4.42Å; T115-I151 HydrophobicContact CG2-CG1 4.27Å; Y147-I151 HydrophobicContact CD1-CD1 3.74Å; Y147-I151 HydrophobicContact CD2-CD1 4.45Å; Y147-I151 HydrophobicContact CE1-CD1 3.18Å; Y147-I151 HydrophobicContact CE1-CG1 4.19Å; Y147-I151 HydrophobicContact CE2-CD1 3.97Å; Y147-I151 HydrophobicContact CE2-CG1 4.12Å; Y147-I151 HydrophobicContact CG-CD1 4.35Å; Y147-I151 PolarHBondContact O-N 2.92Å; R148-I151 PolarHBondContact O-N 2.98Å; I151-N154 CarbonylContact O-C 3.57Å; I151-N154 PolarHBondContact O-N 3.17Å; I151-T155 WeakPolarHBondContact O-CB 3.49Å; I151-T155 PolarHBondContact O-N 3.19Å; I151-T155 PolarHBondContact O-OG1 3.14Å
152W80Confident82.6Confident54 Ų5459.6 Ų59.621%0.20528%0.284CS..Hα-helixtrans-58.9-49.8178.9172.582.9000112.2F44 D50 R148 R149 L150 N154 T155 I156F44-W152 HydrophobicContact CD2-CH2 4.02Å; F44-W152 AromaticContact CD2-CZ2 3.55Å; F44-W152 HydrophobicContact CD2-CZ2 3.55Å; F44-W152 HydrophobicContact CE1-CZ2 4.28Å; F44-W152 AromaticContact CE2-CH2 3.4Å; F44-W152 HydrophobicContact CE2-CH2 3.4Å; F44-W152 VanDerWaalsContact CE2-CH2 3.4Å; F44-W152 AromaticContact CE2-CZ2 3.11Å; F44-W152 HydrophobicContact CE2-CZ2 3.11Å; F44-W152 HydrophobicContact CG-CZ2 4.35Å; F44-W152 HydrophobicContact CZ-CH2 4.04Å; F44-W152 AromaticContact CZ-CZ2 3.51Å; F44-W152 HydrophobicContact CZ-CZ2 3.51Å; D50-W152 PolarHBondContact OD1-NE1 3.41Å; R148-W152 VanDerWaalsContact O-CB 3.29Å; R148-W152 WeakPolarHBondContact O-CB 3.46Å; R148-W152 PolarHBondContact O-N 2.92Å; R149-W152 HydrophobicContact CG-CE3 4.49Å; L150-W152 PolarHBondContact O-N 3.35Å; W152-N154 VanDerWaalsContact C-N 3.29Å; W152-N154 PolarHBondContact O-N 2.87Å; W152-T155 WeakPolarHBondContact O-CB 3.32Å; W152-T155 PolarHBondContact O-N 3.31Å; W152-T155 VanDerWaalsContact O-N 3.11Å; W152-I156 HydrophobicContact CD2-CD1 3.83Å; W152-I156 VanDerWaalsContact CE2-CD1 3.45Å; W152-I156 HydrophobicContact CE3-CD1 4.19Å; W152-I156 HydrophobicContact CH2-CD1 3.91Å; W152-I156 HydrophobicContact CZ2-CD1 3.53Å; W152-I156 HydrophobicContact CZ3-CD1 4.21Å; W152-I156 PolarHBondContact O-N 3.32Å; W152-I156 VanDerWaalsContact O-N 3.07Å
153T83.1Confident83Confident50 Ų5057.8 Ų57.831%0.30727%0.273SS..Hα-helixtrans-57.9-43176.3-58.60000111.4R149 L150 I156 K157R149-T153 WeakPolarHBondContact O-CB 3.42Å; R149-T153 PolarHBondContact O-N 3.46Å; R149-T153 PolarHBondContact O-OG1 3.24Å; L150-T153 PolarHBondContact O-N 2.81Å; T153-I156 PolarHBondContact O-N 2.93Å; T153-K157 WeakPolarHBondContact O-CG 3.39Å; T153-K157 PolarHBondContact O-N 2.91Å; T153-K157 VanDerWaalsContact O-N 3.16Å
154N85.9Confident83.4Confident15 Ų1561.4 Ų61.48%0.0828%0.281CS..Hα-helixtrans-68.8-35.9177.7-76.3-27000112.3A111 T115 L150 I151 W152 I156 K157 V158A111-N154 HydrophobicContact CB-CB 4.31Å; T115-N154 PolarHBondContact OG1-ND2 2.61Å; L150-N154 PolarHBondContact O-N 3.44Å; I151-N154 CarbonylContact O-C 3.57Å; I151-N154 PolarHBondContact O-N 3.17Å; W152-N154 VanDerWaalsContact C-N 3.29Å; W152-N154 PolarHBondContact O-N 2.87Å; N154-I156 VanDerWaalsContact C-N 3.31Å; N154-I156 PolarHBondContact O-N 3.15Å; N154-K157 WeakPolarHBondContact O-CB 3.46Å; N154-K157 PolarHBondContact O-N 3.14Å; N154-K157 VanDerWaalsContact O-N 3.13Å; N154-V158 VanDerWaalsContact O-CG2 3.31Å; N154-V158 WeakPolarHBondContact O-CG2 3.4Å; N154-V158 PolarHBondContact O-N 3.18Å
155T84.7Confident83.9Confident7 Ų765.2 Ų65.24%0.04329%0.289CS..Hα-helixtrans-59.8-44.8176.1-56.20000110.4I107 Y108 A111 I151 W152 K157 V158 F159I107-T155 HydrophobicContact CG2-CG2 4.22Å; Y108-T155 HydrophobicContact CD2-CG2 4.48Å; A111-T155 VanDerWaalsContact CB-CA 3.46Å; A111-T155 WeakPolarHBondContact CB-OG1 3.47Å; I151-T155 WeakPolarHBondContact O-CB 3.49Å; I151-T155 PolarHBondContact O-N 3.19Å; I151-T155 PolarHBondContact O-OG1 3.14Å; W152-T155 WeakPolarHBondContact O-CB 3.32Å; W152-T155 PolarHBondContact O-N 3.31Å; W152-T155 VanDerWaalsContact O-N 3.11Å; T155-K157 VanDerWaalsContact C-N 3.34Å; T155-K157 PolarHBondContact O-N 3.21Å; T155-V158 PolarHBondContact O-N 3.15Å; T155-F159 WeakPolarHBondContact O-CB 3.47Å; T155-F159 PolarHBondContact O-N 3.15Å
156I82Confident84.4Confident40 Ų4066.1 Ų66.121%0.20529%0.286CS..Hα-helixtrans-60.6-44.3175.3-65.5167000110.9F44 W152 T153 N154 F159 A160F44-I156 HydrophobicContact CD2-CD1 4.2Å; W152-I156 HydrophobicContact CD2-CD1 3.83Å; W152-I156 VanDerWaalsContact CE2-CD1 3.45Å; W152-I156 HydrophobicContact CE3-CD1 4.19Å; W152-I156 HydrophobicContact CH2-CD1 3.91Å; W152-I156 HydrophobicContact CZ2-CD1 3.53Å; W152-I156 HydrophobicContact CZ3-CD1 4.21Å; W152-I156 PolarHBondContact O-N 3.32Å; W152-I156 VanDerWaalsContact O-N 3.07Å; T153-I156 PolarHBondContact O-N 2.93Å; N154-I156 VanDerWaalsContact C-N 3.31Å; N154-I156 PolarHBondContact O-N 3.15Å; I156-F159 PolarHBondContact O-N 3.05Å; I156-A160 WeakPolarHBondContact O-CB 3.19Å; I156-A160 PolarHBondContact O-N 2.94Å
157K85.2Confident84.9Confident122 Ų12270.3 Ų70.353%0.5330%0.297SS..Hα-helixtrans-62.4-47.8178.9-71.6174.9-178.9177.20112.1T153 N154 T155 F159 A160 E161T153-K157 WeakPolarHBondContact O-CG 3.39Å; T153-K157 PolarHBondContact O-N 2.91Å; T153-K157 VanDerWaalsContact O-N 3.16Å; N154-K157 WeakPolarHBondContact O-CB 3.46Å; N154-K157 PolarHBondContact O-N 3.14Å; N154-K157 VanDerWaalsContact O-N 3.13Å; T155-K157 VanDerWaalsContact C-N 3.34Å; T155-K157 PolarHBondContact O-N 3.21Å; K157-F159 VanDerWaalsContact C-N 3.32Å; K157-F159 PolarHBondContact O-N 3.23Å; K157-A160 PolarHBondContact O-N 3.4Å; K157-E161 WeakPolarHBondContact O-CB 3.46Å; K157-E161 PolarHBondContact O-N 3.35Å
158V87.1Confident85.3Confident1 Ų170.4 Ų70.41%0.00631%0.31CS..Hα-helixtrans-61.1-44.2177.7177.50000110.2I107 E110 A111 N154 T155 A160 E161 K162I107-V158 HydrophobicContact CG2-CB 4.2Å; I107-V158 HydrophobicContact CG2-CG1 3.93Å; E110-V158 HydrophobicContact CB-CG1 4.47Å; E110-V158 HydrophobicContact CG-CG1 4.18Å; A111-V158 HydrophobicContact CB-CG2 4.07Å; N154-V158 VanDerWaalsContact O-CG2 3.31Å; N154-V158 WeakPolarHBondContact O-CG2 3.4Å; N154-V158 PolarHBondContact O-N 3.18Å; T155-V158 PolarHBondContact O-N 3.15Å; V158-A160 PolarHBondContact O-N 3Å; V158-E161 PolarHBondContact O-N 3.49Å; V158-K162 HydrophobicContact CG1-CG 4.44Å; V158-K162 WeakPolarHBondContact O-CG 3.44Å; V158-K162 PolarHBondContact O-N 2.95Å
159F83.1Confident86Confident37 Ų3769.6 Ų69.616%0.16231%0.313CS..Hα-helixtrans-59.3-49.7177.9-162.3-71000111.3Y43 L46 I107 T155 I156 K157 E161 K162 E163Y43-F159 AromaticContact CD1-CD1 3.11Å; Y43-F159 HydrophobicContact CD1-CD1 3.11Å; Y43-F159 AromaticContact CD1-CE1 3.06Å; Y43-F159 HydrophobicContact CD1-CE1 3.06Å; Y43-F159 HydrophobicContact CD1-CG 4.28Å; Y43-F159 HydrophobicContact CD1-CZ 4.18Å; Y43-F159 HydrophobicContact CD2-CD1 4.35Å; Y43-F159 AromaticContact CE1-CD1 3.71Å; Y43-F159 HydrophobicContact CE1-CD1 3.71Å; Y43-F159 AromaticContact CE1-CE1 3.51Å; Y43-F159 HydrophobicContact CE1-CE1 3.51Å; Y43-F159 AromaticContact CG-CD1 3.46Å; Y43-F159 HydrophobicContact CG-CD1 3.46Å; Y43-F159 VanDerWaalsContact CG-CD1 3.46Å; Y43-F159 AromaticContact CG-CE1 3.91Å; Y43-F159 HydrophobicContact CG-CE1 3.91Å; Y43-F159 HydrophobicContact CG-CG 4.34Å; L46-F159 HydrophobicContact CD1-CZ 4.07Å; I107-F159 HydrophobicContact CD1-CD2 3.63Å; I107-F159 HydrophobicContact CD1-CE2 3.91Å; I107-F159 HydrophobicContact CD1-CG 4.42Å; I107-F159 HydrophobicContact CG2-CB 4.23Å; I107-F159 HydrophobicContact CG2-CD2 4.26Å; T155-F159 WeakPolarHBondContact O-CB 3.47Å; T155-F159 PolarHBondContact O-N 3.15Å; I156-F159 PolarHBondContact O-N 3.05Å; K157-F159 VanDerWaalsContact C-N 3.32Å; K157-F159 PolarHBondContact O-N 3.23Å; F159-E161 VanDerWaalsContact C-N 3.31Å; F159-E161 PolarHBondContact O-N 3.05Å; F159-K162 PolarHBondContact O-N 3.08Å; F159-E163 WeakPolarHBondContact O-CB 3.1Å; F159-E163 PolarHBondContact O-N 2.84Å
160A84.4Confident86.6Confident13 Ų1365.9 Ų65.911%0.10731%0.305CS..Hα-helixtrans-62.4-37.4179.300000112.4Y43 I156 K157 V158 R164Y43-A160 HydrophobicContact CD2-CB 4.03Å; Y43-A160 HydrophobicContact CE2-CB 4.02Å; I156-A160 WeakPolarHBondContact O-CB 3.19Å; I156-A160 PolarHBondContact O-N 2.94Å; K157-A160 PolarHBondContact O-N 3.4Å; V158-A160 PolarHBondContact O-N 3Å; A160-R164 WeakPolarHBondContact O-CB 3.45Å; A160-R164 WeakPolarHBondContact O-CG 3.4Å; A160-R164 PolarHBondContact O-N 2.6Å
161E88Confident87Confident87 Ų8771.2 Ų71.241%0.40733%0.329SS..Hα-helixtrans-64-48.9174.9-171.3-171165.400111.9R114 K157 V158 F159 E163 R164 K165R114-E161 IonicContact CZ-OE2 2.76Å; R114-E161 IonicContact NH1-OE2 3.87Å; R114-E161 PolarHBondContact NH1-OE2 3.03Å; R114-E161 IonicContact NH2-OE1 2.88Å; R114-E161 IonicContact NH2-OE2 3.22Å; R114-E161 PolarHBondContact NH2-OE2 3.39Å; R114-E161 VanDerWaalsContact NH2-OE2 3.16Å; K157-E161 WeakPolarHBondContact O-CB 3.46Å; K157-E161 PolarHBondContact O-N 3.35Å; V158-E161 PolarHBondContact O-N 3.49Å; F159-E161 VanDerWaalsContact C-N 3.31Å; F159-E161 PolarHBondContact O-N 3.05Å; E161-E163 VanDerWaalsContact C-N 3.31Å; E161-E163 PolarHBondContact O-N 3.26Å; E161-R164 PolarHBondContact O-N 3.24Å; E161-K165 WeakPolarHBondContact O-CB 3.39Å; E161-K165 PolarHBondContact O-N 3.47Å
162K84.9Confident87.4Confident87 Ų8778.7 Ų78.738%0.37836%0.357SS..Hα-helixtrans-62.6-39.1177.7-69.9-157.3-171.7-158.50112.2I107 E110 V158 F159 K165 R166I107-K162 HydrophobicContact CD1-CD 4.43Å; I107-K162 HydrophobicContact CG1-CD 4.03Å; E110-K162 WeakPolarHBondContact OE2-CE 2.96Å; E110-K162 IonicContact OE2-NZ 3.34Å; E110-K162 PolarHBondContact OE2-NZ 2.81Å; V158-K162 HydrophobicContact CG1-CG 4.44Å; V158-K162 WeakPolarHBondContact O-CG 3.44Å; V158-K162 PolarHBondContact O-N 2.95Å; F159-K162 PolarHBondContact O-N 3.08Å; K162-K165 PolarHBondContact O-N 3.38Å; K162-R166 WeakPolarHBondContact O-CB 2.96Å; K162-R166 PolarHBondContact O-N 3.11Å
163E83.7Confident88.1Confident33 Ų3380.4 Ų80.415%0.15437%0.367CS..Hα-helixtrans-70.3-39.3178.7-176.853.2-156.900111.9Y43 F159 E161 K165 R166 R167Y43-E163 HydrophobicContact CE1-CB 4.14Å; Y43-E163 HydrophobicContact CE1-CG 3.85Å; Y43-E163 WeakPolarHBondContact OH-CG 3.03Å; F159-E163 WeakPolarHBondContact O-CB 3.1Å; F159-E163 PolarHBondContact O-N 2.84Å; E161-E163 VanDerWaalsContact C-N 3.31Å; E161-E163 PolarHBondContact O-N 3.26Å; E163-K165 VanDerWaalsContact C-N 3.33Å; E163-K165 PolarHBondContact O-N 2.78Å; E163-R166 PolarHBondContact O-N 2.87Å; E163-R166 IonicContact OE1-CZ 2.65Å; E163-R166 IonicContact OE1-NE 3.31Å; E163-R166 PolarHBondContact OE1-NE 3.31Å; E163-R166 IonicContact OE1-NH2 3.95Å; E163-R166 PolarHBondContact OE1-NH2 3.41Å; E163-R166 IonicContact OE2-CZ 3.16Å; E163-R166 IonicContact OE2-NE 2.67Å; E163-R166 PolarHBondContact OE2-NE 2.95Å; E163-R166 IonicContact OE2-NH2 3.46Å; E163-R167 WeakPolarHBondContact O-CG 3.3Å; E163-R167 PolarHBondContact O-N 2.99Å; E163-R167 IonicContact OE1-NE 2.77Å; E163-R167 PolarHBondContact OE1-NE 2.86Å
164R88.3Confident88.7Confident152 Ų15282.7 Ų82.757%0.57438%0.376SS*.Hα-helixtrans-58.9-45.6170-80.2-172.6-120.9102.20.9111.4A160 E161 R166 R167 A168A160-R164 WeakPolarHBondContact O-CB 3.45Å; A160-R164 WeakPolarHBondContact O-CG 3.4Å; A160-R164 PolarHBondContact O-N 2.6Å; E161-R164 PolarHBondContact O-N 3.24Å; R164-R166 VanDerWaalsContact C-N 3.32Å; R164-R166 PolarHBondContact O-N 3.05Å; R164-R167 PolarHBondContact O-N 3.21Å; R164-A168 WeakPolarHBondContact O-CB 3.48Å; R164-A168 PolarHBondContact O-N 2.87Å
165K91.5Very high89Confident163 Ų16388.3 Ų88.371%0.70940%0.401SS*.Hα-helixtrans-61.9-39.5177.5-168.9174.9-176.6175.80112E161 K162 E163 L169E161-K165 WeakPolarHBondContact O-CB 3.39Å; E161-K165 PolarHBondContact O-N 3.47Å; K162-K165 PolarHBondContact O-N 3.38Å; E163-K165 VanDerWaalsContact C-N 3.33Å; E163-K165 PolarHBondContact O-N 2.78Å; K165-L169 WeakPolarHBondContact O-CB 3.49Å; K165-L169 PolarHBondContact O-N 3.4Å
166R88.6Confident89.4Confident100 Ų10091.5 Ų91.538%0.37742%0.418SS..Hα-helixtrans-62.5-45.3175.7-169.5-165.669.776.10.7111.7K162 E163 R164 L169 M170K162-R166 WeakPolarHBondContact O-CB 2.96Å; K162-R166 PolarHBondContact O-N 3.11Å; E163-R166 PolarHBondContact O-N 2.87Å; E163-R166 IonicContact OE1-CZ 2.65Å; E163-R166 IonicContact OE1-NE 3.31Å; E163-R166 PolarHBondContact OE1-NE 3.31Å; E163-R166 IonicContact OE1-NH2 3.95Å; E163-R166 PolarHBondContact OE1-NH2 3.41Å; E163-R166 IonicContact OE2-CZ 3.16Å; E163-R166 IonicContact OE2-NE 2.67Å; E163-R166 PolarHBondContact OE2-NE 2.95Å; E163-R166 IonicContact OE2-NH2 3.46Å; R164-R166 VanDerWaalsContact C-N 3.32Å; R164-R166 PolarHBondContact O-N 3.05Å; R166-L169 PolarHBondContact O-N 3.13Å; R166-M170 WeakPolarHBondContact O-CB 3.37Å; R166-M170 PolarHBondContact O-N 2.87Å
167R89.2Confident90Very high130 Ų13095 Ų9549%0.49143%0.432SS..Hα-helixtrans-64.5-45.8178.1-68-176.5-150.7169.8-0.1112Y43 E163 R164 L169 M170 E171Y43-R167 PolarHBondContact OH-NH2 3.4Å; E163-R167 WeakPolarHBondContact O-CG 3.3Å; E163-R167 PolarHBondContact O-N 2.99Å; E163-R167 IonicContact OE1-NE 2.77Å; E163-R167 PolarHBondContact OE1-NE 2.86Å; R164-R167 PolarHBondContact O-N 3.21Å; R167-L169 VanDerWaalsContact C-N 3.29Å; R167-L169 PolarHBondContact O-N 3.37Å; R167-M170 PolarHBondContact O-N 3.46Å; R167-E171 WeakPolarHBondContact O-CB 3.31Å; R167-E171 PolarHBondContact O-N 3.05Å
168A93.3Very high90.5Very high56 Ų5694.3 Ų94.346%0.46343%0.433SS..Hα-helixtrans-60.9-38.9177.800000112.2R164 R172R164-A168 WeakPolarHBondContact O-CB 3.48Å; R164-A168 PolarHBondContact O-N 2.87Å; A168-R172 WeakPolarHBondContact O-CB 3.34Å; A168-R172 PolarHBondContact O-N 3.34Å
169L93.6Very high90.7Very high98 Ų9898.6 Ų98.651%0.51346%0.456SS..Hα-helixtrans-65.9-45.1175.3-176.263.8000111.7K165 R166 R167 E171 R172 E173K165-L169 WeakPolarHBondContact O-CB 3.49Å; K165-L169 PolarHBondContact O-N 3.4Å; R166-L169 PolarHBondContact O-N 3.13Å; R167-L169 VanDerWaalsContact C-N 3.29Å; R167-L169 PolarHBondContact O-N 3.37Å; L169-E171 VanDerWaalsContact C-N 3.34Å; L169-E171 PolarHBondContact O-N 2.89Å; L169-R172 PolarHBondContact O-N 3.11Å; L169-E173 WeakPolarHBondContact O-CG 3.21Å; L169-E173 PolarHBondContact O-N 2.81Å
170M92.4Very high91.2Very high104 Ų104101 Ų10151%0.51247%0.47SS..Hα-helixtrans-63.5-39.5178.7-174.7176.3177.300112.2R166 R167 E173 M174R166-M170 WeakPolarHBondContact O-CB 3.37Å; R166-M170 PolarHBondContact O-N 2.87Å; R167-M170 PolarHBondContact O-N 3.46Å; M170-E173 PolarHBondContact O-N 3.18Å; M170-M174 VanDerWaalsContact O-CG 3.28Å; M170-M174 WeakPolarHBondContact O-CG 3.45Å; M170-M174 PolarHBondContact O-N 2.99Å; M170-M174 VanDerWaalsContact O-N 3.08Å
171E93.5Very high91.5Very high141 Ų141106.1 Ų106.166%0.65949%0.492SS*.Hα-helixtrans-63.6-46.4175.5-176.3169.1-159.100111.3R167 L169 E173 M174 E175R167-E171 WeakPolarHBondContact O-CB 3.31Å; R167-E171 PolarHBondContact O-N 3.05Å; L169-E171 VanDerWaalsContact C-N 3.34Å; L169-E171 PolarHBondContact O-N 2.89Å; E171-E173 PolarHBondContact O-N 2.98Å; E171-M174 WeakPolarHBondContact O-CB 3.46Å; E171-M174 PolarHBondContact O-N 3.45Å; E171-E175 PolarHBondContact O-N 3Å
172R93.5Very high91.6Very high162 Ų162111.1 Ų111.161%0.61151%0.507SS*.Hα-helixtrans-60.2-43.9175-175.5177.8179.4164.73.6112.6A168 L169 M174 E175 D176A168-R172 WeakPolarHBondContact O-CB 3.34Å; A168-R172 PolarHBondContact O-N 3.34Å; L169-R172 PolarHBondContact O-N 3.11Å; R172-M174 VanDerWaalsContact C-N 3.27Å; R172-M174 PolarHBondContact O-N 2.95Å; R172-E175 PolarHBondContact O-N 3.38Å; R172-D176 WeakPolarHBondContact O-CB 3.35Å; R172-D176 VanDerWaalsContact O-CG 3.3Å; R172-D176 PolarHBondContact O-N 2.85Å
173E94.5Very high91.9Very high91 Ų91110.7 Ų110.743%0.42551%0.512SS..Hα-helixtrans-62.2-35.6176.8-75.5174.9-170.600112.5L169 M170 E171 K177L169-E173 WeakPolarHBondContact O-CG 3.21Å; L169-E173 PolarHBondContact O-N 2.81Å; M170-E173 PolarHBondContact O-N 3.18Å; E171-E173 PolarHBondContact O-N 2.98Å; E173-K177 WeakPolarHBondContact O-CB 3.28Å; E173-K177 WeakPolarHBondContact O-CD 3.38Å; E173-K177 WeakPolarHBondContact O-CG 3.45Å; E173-K177 PolarHBondContact O-N 3.49Å
174M94.5Very high92.2Very high98 Ų98115.5 Ų115.548%0.48353%0.532SS..Hα-helixtrans-70.3-42175.5-71.9-64.6-66.100111.4M170 E171 R172 K177 L178M170-M174 VanDerWaalsContact O-CG 3.28Å; M170-M174 WeakPolarHBondContact O-CG 3.45Å; M170-M174 PolarHBondContact O-N 2.99Å; M170-M174 VanDerWaalsContact O-N 3.08Å; E171-M174 WeakPolarHBondContact O-CB 3.46Å; E171-M174 PolarHBondContact O-N 3.45Å; R172-M174 VanDerWaalsContact C-N 3.27Å; R172-M174 PolarHBondContact O-N 2.95Å; M174-K177 PolarHBondContact O-N 3.13Å; M174-K177 HydrophobicContact SD-CD 4.45Å; M174-L178 WeakPolarHBondContact O-CG 3.48Å; M174-L178 PolarHBondContact O-N 3.39Å
175E93.3Very high92.2Very high132 Ų132113.4 Ų113.462%0.61753%0.531SS*.Hα-helixtrans-63.3-44.7175.3-172.4171.2-150.900111.8E171 R172 K177 L178 N179E171-E175 PolarHBondContact O-N 3Å; R172-E175 PolarHBondContact O-N 3.38Å; E175-K177 VanDerWaalsContact C-N 3.33Å; E175-K177 PolarHBondContact O-N 3.36Å; E175-L178 PolarHBondContact O-N 3.13Å; E175-N179 WeakPolarHBondContact O-CB 3.45Å; E175-N179 PolarHBondContact O-N 3.47Å
176D93.8Very high92Very high74 Ų74113.1 Ų113.140%0.39653%0.527SS..Hα-helixtrans-60.7-41.8175.6-73.7-24000111R172 N179 I180R172-D176 WeakPolarHBondContact O-CB 3.35Å; R172-D176 VanDerWaalsContact O-CG 3.3Å; R172-D176 PolarHBondContact O-N 2.85Å; D176-N179 PolarHBondContact O-N 3.37Å; D176-I180 WeakPolarHBondContact O-CB 3.33Å; D176-I180 WeakPolarHBondContact O-CD1 3.34Å; D176-I180 WeakPolarHBondContact O-CG1 3.39Å; D176-I180 PolarHBondContact O-N 3.37Å
177K94.5Very high91.8Very high114 Ų114114.4 Ų114.450%0.49654%0.536SS..Hα-helixtrans-62.1-44.3174.3-76.5168.9-172.1171.20112.2E173 M174 E175 I180 Q181E173-K177 WeakPolarHBondContact O-CB 3.28Å; E173-K177 WeakPolarHBondContact O-CD 3.38Å; E173-K177 WeakPolarHBondContact O-CG 3.45Å; E173-K177 PolarHBondContact O-N 3.49Å; M174-K177 PolarHBondContact O-N 3.13Å; M174-K177 HydrophobicContact SD-CD 4.45Å; E175-K177 VanDerWaalsContact C-N 3.33Å; E175-K177 PolarHBondContact O-N 3.36Å; K177-I180 PolarHBondContact O-N 3.18Å; K177-Q181 WeakPolarHBondContact O-CG 3.46Å; K177-Q181 PolarHBondContact O-N 3.06Å
178L94.3Very high91.4Very high107 Ų107112.5 Ų112.556%0.5654%0.535SS*.Hα-helixtrans-65.2-40.5177.1-73.1171.9000111.4M174 E175 Q181 R182M174-L178 WeakPolarHBondContact O-CG 3.48Å; M174-L178 PolarHBondContact O-N 3.39Å; E175-L178 PolarHBondContact O-N 3.13Å; L178-Q181 PolarHBondContact O-N 3.15Å; L178-R182 WeakPolarHBondContact O-CB 3.27Å; L178-R182 PolarHBondContact O-N 2.86Å
179N92.1Very high90.7Very high91 Ų91115.4 Ų115.449%0.48754%0.539SS..Hα-helixtrans-64.3-46.7176.6-168.730.9000110.9E175 D176 Q181 R182 T183E175-N179 WeakPolarHBondContact O-CB 3.45Å; E175-N179 PolarHBondContact O-N 3.47Å; D176-N179 PolarHBondContact O-N 3.37Å; N179-Q181 VanDerWaalsContact C-N 3.3Å; N179-Q181 PolarHBondContact O-N 2.84Å; N179-R182 WeakPolarHBondContact O-CB 3.48Å; N179-R182 PolarHBondContact O-N 3.45Å; N179-R182 VanDerWaalsContact O-N 3.11Å; N179-T183 PolarHBondContact O-N 2.84Å; N179-T183 PolarHBondContact O-OG1 3.04Å
180I93.8Very high90.1Very high89 Ų89113.4 Ų113.446%0.45653%0.531SS..Hα-helixtrans-57.9-42.5174.6-69.5162.6000111.1D176 K177 K184D176-I180 WeakPolarHBondContact O-CB 3.33Å; D176-I180 WeakPolarHBondContact O-CD1 3.34Å; D176-I180 WeakPolarHBondContact O-CG1 3.39Å; D176-I180 PolarHBondContact O-N 3.37Å; K177-I180 PolarHBondContact O-N 3.18Å; I180-K184 HydrophobicContact CG2-CD 4.04Å; I180-K184 HydrophobicContact CG2-CG 4.47Å; I180-K184 WeakPolarHBondContact O-CB 3.4Å; I180-K184 VanDerWaalsContact O-CG 3.24Å; I180-K184 WeakPolarHBondContact O-CG 3.46Å; I180-K184 PolarHBondContact O-N 3.3Å
181Q90.1Very high89.2Confident120 Ų120110.2 Ų110.256%0.56152%0.518SS*.Hα-helixtrans-63.4-45175.5-75.1-175.523.600111.5K177 L178 N179 T183 K184 L185K177-Q181 WeakPolarHBondContact O-CG 3.46Å; K177-Q181 PolarHBondContact O-N 3.06Å; L178-Q181 PolarHBondContact O-N 3.15Å; N179-Q181 VanDerWaalsContact C-N 3.3Å; N179-Q181 PolarHBondContact O-N 2.84Å; Q181-T183 PolarHBondContact O-N 3.28Å; Q181-K184 PolarHBondContact O-N 2.89Å; Q181-L185 WeakPolarHBondContact O-CG 3.28Å; Q181-L185 PolarHBondContact O-N 2.98Å
182R90.2Very high88Confident192 Ų192110.1 Ų110.173%0.72552%0.517SS*.Hα-helixtrans-62.2-42.6177.8-167.8176.3-174.7166.21.8112.1L178 N179 L185 Y186L178-R182 WeakPolarHBondContact O-CB 3.27Å; L178-R182 PolarHBondContact O-N 2.86Å; N179-R182 WeakPolarHBondContact O-CB 3.48Å; N179-R182 PolarHBondContact O-N 3.45Å; N179-R182 VanDerWaalsContact O-N 3.11Å; R182-L185 PolarHBondContact O-N 3.37Å; R182-Y186 WeakPolarHBondContact O-CB 3.32Å; R182-Y186 PolarHBondContact O-N 3.49Å
183T91.2Very high86.8Confident78 Ų78107.3 Ų107.348%0.47951%0.514SS..Hα-helixtrans-64.7-41.7175.2-50.70000111.4N179 Q181 Y186 F187N179-T183 PolarHBondContact O-N 2.84Å; N179-T183 PolarHBondContact O-OG1 3.04Å; Q181-T183 PolarHBondContact O-N 3.28Å; T183-Y186 PolarHBondContact O-N 3.31Å; T183-F187 WeakPolarHBondContact O-CB 3.44Å; T183-F187 PolarHBondContact O-N 2.93Å
184K89.8Confident85.5Confident134 Ų134104.2 Ų104.258%0.58351%0.506SS*.Hα-helixtrans-63.1-42.4175.3-76.8174.6179.8-178.90112.1I180 Q181 F187 N188I180-K184 HydrophobicContact CG2-CD 4.04Å; I180-K184 HydrophobicContact CG2-CG 4.47Å; I180-K184 WeakPolarHBondContact O-CB 3.4Å; I180-K184 VanDerWaalsContact O-CG 3.24Å; I180-K184 WeakPolarHBondContact O-CG 3.46Å; I180-K184 PolarHBondContact O-N 3.3Å; Q181-K184 PolarHBondContact O-N 2.89Å; K184-F187 PolarHBondContact O-N 2.98Å; K184-N188 WeakPolarHBondContact O-CB 3.33Å; K184-N188 VanDerWaalsContact O-CG 3.22Å; K184-N188 PolarHBondContact O-N 3.16Å; K184-N188 PolarHBondContact O-ND2 3.49Å
185L88.6Confident84Confident107 Ų107103.8 Ų103.856%0.5651%0.506SS*.Hα-helixtrans-62.6-47.8175.6-72.2174.2000111.1Q181 R182 F187 N188 E189Q181-L185 WeakPolarHBondContact O-CG 3.28Å; Q181-L185 PolarHBondContact O-N 2.98Å; R182-L185 PolarHBondContact O-N 3.37Å; L185-F187 PolarHBondContact O-N 3.32Å; L185-N188 PolarHBondContact O-N 3.15Å; L185-E189 WeakPolarHBondContact O-CG 3.45Å; L185-E189 PolarHBondContact O-N 2.89Å
186Y87.2Confident82.7Confident157 Ų15799.4 Ų99.462%0.61650%0.496SS*.Hα-helixtrans-59.6-45.2176.8-179.4-100.8000112.5R182 T183 E189 T190R182-Y186 WeakPolarHBondContact O-CB 3.32Å; R182-Y186 PolarHBondContact O-N 3.49Å; T183-Y186 PolarHBondContact O-N 3.31Å; Y186-E189 PolarHBondContact O-N 2.89Å; Y186-T190 HydrophobicContact CD1-CG2 4.3Å; Y186-T190 HydrophobicContact CD2-CG2 4.5Å; Y186-T190 HydrophobicContact CE1-CG2 3.86Å; Y186-T190 HydrophobicContact CE2-CG2 4.08Å; Y186-T190 WeakPolarHBondContact O-CG2 3.49Å; Y186-T190 PolarHBondContact O-N 3.47Å; Y186-T190 PolarHBondContact O-OG1 3.2Å
187F84.1Confident81Confident127 Ų127101.9 Ų101.956%0.55751%0.507SS*.Hα-helixtrans-64.8-39177.1-174.3-96.3000112.3T183 K184 L185 T190 T191T183-F187 WeakPolarHBondContact O-CB 3.44Å; T183-F187 PolarHBondContact O-N 2.93Å; K184-F187 PolarHBondContact O-N 2.98Å; L185-F187 PolarHBondContact O-N 3.32Å; F187-T190 WeakPolarHBondContact CA-OG1 3.43Å; F187-T190 PolarHBondContact O-OG1 2.68Å; F187-T190 VanDerWaalsContact O-OG1 3.1Å; F187-T191 HydrophobicContact CD1-CG2 3.95Å; F187-T191 HydrophobicContact CD2-CG2 4.44Å; F187-T191 HydrophobicContact CE1-CG2 3.53Å; F187-T191 HydrophobicContact CE2-CG2 4.07Å; F187-T191 HydrophobicContact CG-CG2 4.39Å; F187-T191 HydrophobicContact CZ-CG2 3.59Å; F187-T191 WeakPolarHBondContact O-CB 3.27Å; F187-T191 VanDerWaalsContact O-CG2 3.27Å; F187-T191 WeakPolarHBondContact O-CG2 3.46Å; F187-T191 PolarHBondContact O-N 3.27Å; F187-T191 PolarHBondContact O-OG1 3.39Å
188N82.3Confident79.5Confident90 Ų90102.5 Ų102.548%0.48151%0.512SS..Hα-helixtrans-65.2-42.1174.2-75.5-18.4000111.4K184 L185 T191 Q192K184-N188 WeakPolarHBondContact O-CB 3.33Å; K184-N188 VanDerWaalsContact O-CG 3.22Å; K184-N188 PolarHBondContact O-N 3.16Å; K184-N188 PolarHBondContact O-ND2 3.49Å; L185-N188 PolarHBondContact O-N 3.15Å; N188-T191 WeakPolarHBondContact CA-OG1 3.47Å; N188-T191 PolarHBondContact O-OG1 2.92Å; N188-T191 VanDerWaalsContact O-OG1 3.09Å; N188-Q192 VanDerWaalsContact O-CB 3.24Å; N188-Q192 WeakPolarHBondContact O-CB 3.38Å; N188-Q192 WeakPolarHBondContact O-CG 3.27Å; N188-Q192 PolarHBondContact O-N 3.09Å
189E78.4Confident78.5Confident118 Ų118100.6 Ų100.655%0.55151%0.505SS*.Hα-helixtrans-63-45.7175.3-73.8176.417800111.9L185 Y186 Q192 N193L185-E189 WeakPolarHBondContact O-CG 3.45Å; L185-E189 PolarHBondContact O-N 2.89Å; Y186-E189 PolarHBondContact O-N 2.89Å; E189-Q192 PolarHBondContact O-N 2.83Å; E189-N193 WeakPolarHBondContact O-CB 3.31Å; E189-N193 PolarHBondContact O-N 2.93Å; E189-N193 PolarHBondContact O-ND2 3.24Å; E189-N193 VanDerWaalsContact O-ND2 3.11Å
190T80.6Confident77.8Confident55 Ų55104.5 Ų104.534%0.33751%0.513SS..Hα-helixtrans-68.9-37.7179.755.80000112.7Y186 F187 G194Y186-T190 HydrophobicContact CD1-CG2 4.3Å; Y186-T190 HydrophobicContact CD2-CG2 4.5Å; Y186-T190 HydrophobicContact CE1-CG2 3.86Å; Y186-T190 HydrophobicContact CE2-CG2 4.08Å; Y186-T190 WeakPolarHBondContact O-CG2 3.49Å; Y186-T190 PolarHBondContact O-N 3.47Å; Y186-T190 PolarHBondContact O-OG1 3.2Å; F187-T190 WeakPolarHBondContact CA-OG1 3.43Å; F187-T190 PolarHBondContact O-OG1 2.68Å; F187-T190 VanDerWaalsContact O-OG1 3.1Å; T190-G194 WeakPolarHBondContact O-CA 3.41Å; T190-G194 PolarHBondContact O-N 3.43Å
191T74.2Confident77.1Confident38 Ų38105 Ų10523%0.23352%0.516CS..Hα-helixtrans-70.9-39.1174.751.80000112.4F187 N188 N195F187-T191 HydrophobicContact CD1-CG2 3.95Å; F187-T191 HydrophobicContact CD2-CG2 4.44Å; F187-T191 HydrophobicContact CE1-CG2 3.53Å; F187-T191 HydrophobicContact CE2-CG2 4.07Å; F187-T191 HydrophobicContact CG-CG2 4.39Å; F187-T191 HydrophobicContact CZ-CG2 3.59Å; F187-T191 WeakPolarHBondContact O-CB 3.27Å; F187-T191 VanDerWaalsContact O-CG2 3.27Å; F187-T191 WeakPolarHBondContact O-CG2 3.46Å; F187-T191 PolarHBondContact O-N 3.27Å; F187-T191 PolarHBondContact O-OG1 3.39Å; N188-T191 WeakPolarHBondContact CA-OG1 3.47Å; N188-T191 PolarHBondContact O-OG1 2.92Å; N188-T191 VanDerWaalsContact O-OG1 3.09Å; T191-N195 WeakPolarHBondContact O-CB 3.19Å; T191-N195 PolarHBondContact O-N 3.16Å; T191-N195 PolarHBondContact O-OD1 3.32Å
192Q67.5Low76.5Confident138 Ų138104.4 Ų104.465%0.64552%0.517SS*.Hα-helixtrans-65.3-41.8174-70.4-68.9-35.600111.2N188 E189 G196N188-Q192 VanDerWaalsContact O-CB 3.24Å; N188-Q192 WeakPolarHBondContact O-CB 3.38Å; N188-Q192 WeakPolarHBondContact O-CG 3.27Å; N188-Q192 PolarHBondContact O-N 3.09Å; E189-Q192 PolarHBondContact O-N 2.83Å; Q192-G196 PolarHBondContact O-N 3.01Å
193N67.4Low76Confident104 Ų104103.3 Ų103.356%0.55651%0.513SS*.Hα-helixtrans-67.6-45.1175.9-70.6-23000111.7E189 G196 M197E189-N193 WeakPolarHBondContact O-CB 3.31Å; E189-N193 PolarHBondContact O-N 2.93Å; E189-N193 PolarHBondContact O-ND2 3.24Å; E189-N193 VanDerWaalsContact O-ND2 3.11Å; N193-G196 PolarHBondContact O-N 3.25Å; N193-M197 WeakPolarHBondContact O-CG 3.19Å; N193-M197 PolarHBondContact O-N 3.34Å
194G67Low75.5Confident25 Ų25102 Ų10226%0.25851%0.505SS..Hα-helixtrans-65.2-51.2179.300000112.2T190 G196 M197 E198T190-G194 WeakPolarHBondContact O-CA 3.41Å; T190-G194 PolarHBondContact O-N 3.43Å; G194-G196 PolarHBondContact O-N 3.29Å; G194-M197 PolarHBondContact O-N 2.73Å; G194-E198 PolarHBondContact O-N 2.85Å
195N63.7Low75.1Confident90 Ų9099 Ų9948%0.48150%0.497SS..Hα-helixtrans-58.7-36.9173.8-718.2000110.6T191 T199T191-N195 WeakPolarHBondContact O-CB 3.19Å; T191-N195 PolarHBondContact O-N 3.16Å; T191-N195 PolarHBondContact O-OD1 3.32Å; N195-T199 WeakPolarHBondContact O-CB 3.46Å; N195-T199 PolarHBondContact O-N 3.33Å; N195-T199 PolarHBondContact O-OG1 3.11Å
196G66.1Low74.6Confident39 Ų3997.6 Ų97.640%0.40250%0.496SS..Hα-helixtrans-61.3-41.5173.700000113.3Q192 N193 G194 R200Q192-G196 PolarHBondContact O-N 3.01Å; N193-G196 PolarHBondContact O-N 3.25Å; G194-G196 PolarHBondContact O-N 3.29Å; G196-R200 VanDerWaalsContact O-CB 3.28Å; G196-R200 WeakPolarHBondContact O-CB 3.42Å; G196-R200 PolarHBondContact O-N 3.37Å
197M57.4Low74.4Confident127 Ų12797.6 Ų97.663%0.62650%0.495SS*.Hα-helixtrans-73.4-47.8177.7-69.5-170.6-170.300112.4N193 G194 T199 R200 D201N193-M197 WeakPolarHBondContact O-CG 3.19Å; N193-M197 PolarHBondContact O-N 3.34Å; G194-M197 PolarHBondContact O-N 2.73Å; M197-T199 PolarHBondContact O-N 2.92Å; M197-R200 CarbonylContact O-C 3.54Å; M197-R200 WeakPolarHBondContact O-CA 3.37Å; M197-R200 WeakPolarHBondContact O-CB 3.4Å; M197-R200 PolarHBondContact O-N 3.2Å; M197-R200 VanDerWaalsContact O-N 3.07Å; M197-D201 PolarHBondContact O-N 3.38Å
198E64.2Low74.2Confident126 Ų12697.4 Ų97.459%0.58950%0.495SS*.Hα-helixtrans-61.4-47.1178-70.4179.5178.600110.9G194 R200 D201 D202G194-E198 PolarHBondContact O-N 2.85Å; E198-R200 PolarHBondContact O-N 2.82Å; E198-D201 PolarHBondContact O-N 3.49Å; E198-D201 VanDerWaalsContact O-N 3.15Å; E198-D202 WeakPolarHBondContact O-CB 3.41Å; E198-D202 PolarHBondContact O-N 3.14Å
199T73.5Confident74.1Confident68 Ų6897.7 Ų97.742%0.41750%0.496SS..Hα-helixtrans-64.9-25.5176.9-45.70000112N195 M197 R203N195-T199 WeakPolarHBondContact O-CB 3.46Å; N195-T199 PolarHBondContact O-N 3.33Å; N195-T199 PolarHBondContact O-OG1 3.11Å; M197-T199 PolarHBondContact O-N 2.92Å; T199-R203 VanDerWaalsContact O-CB 3.27Å; T199-R203 WeakPolarHBondContact O-CB 3.36Å; T199-R203 VanDerWaalsContact O-CG 3.28Å; T199-R203 WeakPolarHBondContact O-CG 3.39Å; T199-R203 PolarHBondContact O-N 3.4Å; T199-R203 PolarHBondContact O-NE 3.29Å
200R77Confident74.1Confident173 Ų17398.4 Ų98.465%0.65350%0.498SS*.Hα-helixtrans-75.2-48.1173176.5-179.3173.3156.9-1.1110.4G196 M197 E198 R203 V204G196-R200 VanDerWaalsContact O-CB 3.28Å; G196-R200 WeakPolarHBondContact O-CB 3.42Å; G196-R200 PolarHBondContact O-N 3.37Å; M197-R200 CarbonylContact O-C 3.54Å; M197-R200 WeakPolarHBondContact O-CA 3.37Å; M197-R200 WeakPolarHBondContact O-CB 3.4Å; M197-R200 PolarHBondContact O-N 3.2Å; M197-R200 VanDerWaalsContact O-N 3.07Å; E198-R200 PolarHBondContact O-N 2.82Å; R200-R203 CarbonylContact O-C 3.6Å; R200-R203 PolarHBondContact O-N 2.94Å; R200-V204 HydrophobicContact CG-CG2 4.3Å; R200-V204 WeakPolarHBondContact O-CB 3.37Å; R200-V204 VanDerWaalsContact O-CG2 3.28Å; R200-V204 WeakPolarHBondContact O-CG2 3.23Å; R200-V204 PolarHBondContact O-N 3.5Å
201D79.3Confident73.8Confident98 Ų98100.7 Ų100.752%0.52450%0.503SS..Hα-helixtrans-65.6-39.4-179.3-75.9-19.2000111.6M197 E198 R203 V204 T205M197-D201 PolarHBondContact O-N 3.38Å; E198-D201 PolarHBondContact O-N 3.49Å; E198-D201 VanDerWaalsContact O-N 3.15Å; D201-R203 PolarHBondContact O-N 2.98Å; D201-V204 PolarHBondContact O-N 2.83Å; D201-T205 WeakPolarHBondContact O-CB 3.37Å; D201-T205 VanDerWaalsContact O-CG2 3.3Å; D201-T205 WeakPolarHBondContact O-CG2 3.44Å; D201-T205 PolarHBondContact O-N 3.26Å; D201-T205 PolarHBondContact O-OG1 2.94Å
202D77Confident73.8Confident108 Ų108102.8 Ų102.858%0.57852%0.515SS*.Hα-helixtrans-63.2-40.5171.5-75.5-17.4000111.9E198 T205 S206E198-D202 WeakPolarHBondContact O-CB 3.41Å; E198-D202 PolarHBondContact O-N 3.14Å; D202-T205 WeakPolarHBondContact CA-OG1 3.41Å; D202-T205 PolarHBondContact O-OG1 2.93Å; D202-S206 WeakPolarHBondContact O-CB 3.4Å; D202-S206 PolarHBondContact O-N 3.39Å
203R79.3Confident73.6Confident170 Ų170102.8 Ų102.864%0.64251%0.513SS*.Hα-helixtrans-66-41.3173.2-86.2-175.8-79.6-175.9-8.5112T199 R200 D201 W207T199-R203 VanDerWaalsContact O-CB 3.27Å; T199-R203 WeakPolarHBondContact O-CB 3.36Å; T199-R203 VanDerWaalsContact O-CG 3.28Å; T199-R203 WeakPolarHBondContact O-CG 3.39Å; T199-R203 PolarHBondContact O-N 3.4Å; T199-R203 PolarHBondContact O-NE 3.29Å; R200-R203 CarbonylContact O-C 3.6Å; R200-R203 PolarHBondContact O-N 2.94Å; D201-R203 PolarHBondContact O-N 2.98Å; R203-W207 VanDerWaalsContact O-CB 3.25Å; R203-W207 WeakPolarHBondContact O-CB 3.45Å; R203-W207 PolarHBondContact O-N 3.41Å
204V81.2Confident73.2Confident51 Ų51104.6 Ų104.631%0.30952%0.516SS..Hα-helixtrans-68.4-43.1179.3171.20000110.7R200 D201 W207 K208R200-V204 HydrophobicContact CG-CG2 4.3Å; R200-V204 WeakPolarHBondContact O-CB 3.37Å; R200-V204 VanDerWaalsContact O-CG2 3.28Å; R200-V204 WeakPolarHBondContact O-CG2 3.23Å; R200-V204 PolarHBondContact O-N 3.5Å; D201-V204 PolarHBondContact O-N 2.83Å; V204-W207 PolarHBondContact O-N 3.22Å; V204-K208 HydrophobicContact CG1-CD 4.25Å; V204-K208 HydrophobicContact CG1-CG 4.49Å; V204-K208 WeakPolarHBondContact O-CB 3.44Å; V204-K208 VanDerWaalsContact O-CG 3.32Å; V204-K208 WeakPolarHBondContact O-CG 3.43Å; V204-K208 PolarHBondContact O-N 3.23Å
205T80.6Confident72.8Confident69 Ų69109.4 Ų109.442%0.42354%0.536SS..Hα-helixtrans-66.9-43.3176.353.10000111.3D201 D202 W207 K208 N209D201-T205 WeakPolarHBondContact O-CB 3.37Å; D201-T205 VanDerWaalsContact O-CG2 3.3Å; D201-T205 WeakPolarHBondContact O-CG2 3.44Å; D201-T205 PolarHBondContact O-N 3.26Å; D201-T205 PolarHBondContact O-OG1 2.94Å; D202-T205 WeakPolarHBondContact CA-OG1 3.41Å; D202-T205 PolarHBondContact O-OG1 2.93Å; T205-W207 VanDerWaalsContact C-N 3.33Å; T205-W207 PolarHBondContact O-N 2.84Å; T205-K208 PolarHBondContact O-N 2.93Å; T205-N209 VanDerWaalsContact O-CB 3.3Å; T205-N209 WeakPolarHBondContact O-CB 3.44Å; T205-N209 PolarHBondContact O-N 3.44Å; T205-N209 PolarHBondContact O-ND2 2.83Å
206S79.9Confident72.3Confident78 Ų78108.8 Ų108.855%0.54554%0.539SS..Hα-helixtrans-59.4-42.5172.9-176.40000111.8D202 N209 F210D202-S206 WeakPolarHBondContact O-CB 3.4Å; D202-S206 PolarHBondContact O-N 3.39Å; S206-N209 PolarHBondContact O-N 2.81Å; S206-F210 WeakPolarHBondContact O-CB 3.47Å; S206-F210 PolarHBondContact O-N 2.65Å
207W81Confident71.4Confident157 Ų157113.8 Ų113.860%0.59555%0.55SS*.Hα-helixtrans-66.7-42.7175.7-178.478.1000112.9R203 V204 T205 F210 K211R203-W207 VanDerWaalsContact O-CB 3.25Å; R203-W207 WeakPolarHBondContact O-CB 3.45Å; R203-W207 PolarHBondContact O-N 3.41Å; V204-W207 PolarHBondContact O-N 3.22Å; T205-W207 VanDerWaalsContact C-N 3.33Å; T205-W207 PolarHBondContact O-N 2.84Å; W207-F210 PolarHBondContact O-N 3.31Å; W207-K211 HydrophobicContact CZ2-CG 4.23Å; W207-K211 PolarHBondContact O-N 3.37Å
208K80.4Confident71.1Confident124 Ų124111 Ų11154%0.53955%0.554SS.*Hα-helixtrans-59.8-46.2173.3-76.6178.5-180-179.20110.9V204 T205 F210 K211 T212V204-K208 HydrophobicContact CG1-CD 4.25Å; V204-K208 HydrophobicContact CG1-CG 4.49Å; V204-K208 WeakPolarHBondContact O-CB 3.44Å; V204-K208 VanDerWaalsContact O-CG 3.32Å; V204-K208 WeakPolarHBondContact O-CG 3.43Å; V204-K208 PolarHBondContact O-N 3.23Å; T205-K208 PolarHBondContact O-N 2.93Å; K208-F210 VanDerWaalsContact C-N 3.32Å; K208-F210 PolarHBondContact O-N 3.1Å; K208-K211 PolarHBondContact O-N 3.35Å; K208-T212 WeakPolarHBondContact O-CG2 3.33Å; K208-T212 PolarHBondContact O-N 3.39Å; K208-T212 PolarHBondContact O-OG1 3.44Å
209N80.1Confident70.2Confident95 Ų95116.1 Ų116.151%0.50857%0.568SS.*Hα-helixtrans-64.1-35.2176.5-72.4-22000112.6T205 S206 T212 K213T205-N209 VanDerWaalsContact O-CB 3.3Å; T205-N209 WeakPolarHBondContact O-CB 3.44Å; T205-N209 PolarHBondContact O-N 3.44Å; T205-N209 PolarHBondContact O-ND2 2.83Å; S206-N209 PolarHBondContact O-N 2.81Å; N209-T212 WeakPolarHBondContact CA-OG1 3.45Å; N209-T212 PolarHBondContact O-OG1 3.2Å; N209-T212 VanDerWaalsContact O-OG1 3.12Å; N209-K213 VanDerWaalsContact O-CB 3.24Å; N209-K213 WeakPolarHBondContact O-CB 3.28Å; N209-K213 WeakPolarHBondContact O-CG 3.2Å; N209-K213 PolarHBondContact O-N 3.46Å
210F79.1Confident68.8Low134 Ų134119.5 Ų119.559%0.58858%0.582SS**Hα-helixtrans-67.6-42.7174.1177.5-99.6000111.5S206 W207 K208 K214S206-F210 WeakPolarHBondContact O-CB 3.47Å; S206-F210 PolarHBondContact O-N 2.65Å; W207-F210 PolarHBondContact O-N 3.31Å; K208-F210 VanDerWaalsContact C-N 3.32Å; K208-F210 PolarHBondContact O-N 3.1Å; F210-K214 WeakPolarHBondContact O-CB 3.48Å; F210-K214 PolarHBondContact O-N 3.18Å
211K74.8Confident67.2Low102 Ų102114.7 Ų114.744%0.44359%0.586SS.*Hα-helixtrans-61.4-51.5174.3-90.1-76.7-168.3166.60111.6W207 K208 K213 K214 D215W207-K211 HydrophobicContact CZ2-CG 4.23Å; W207-K211 PolarHBondContact O-N 3.37Å; K208-K211 PolarHBondContact O-N 3.35Å; K211-K213 VanDerWaalsContact C-N 3.33Å; K211-K213 PolarHBondContact O-N 2.93Å; K211-K214 WeakPolarHBondContact O-CB 3.34Å; K211-K214 PolarHBondContact O-N 3.01Å; K211-D215 PolarHBondContact O-N 3.44Å
212T72.8Confident65.6Low82 Ų82120.9 Ų120.950%0.50361%0.609SS.*Hα-helixtrans-64-37.1178.858.30000112.3K208 N209 D215 S216K208-T212 WeakPolarHBondContact O-CG2 3.33Å; K208-T212 PolarHBondContact O-N 3.39Å; K208-T212 PolarHBondContact O-OG1 3.44Å; N209-T212 WeakPolarHBondContact CA-OG1 3.45Å; N209-T212 PolarHBondContact O-OG1 3.2Å; N209-T212 VanDerWaalsContact O-OG1 3.12Å; T212-D215 PolarHBondContact O-N 3.04Å; T212-S216 VanDerWaalsContact O-CB 3.32Å; T212-S216 WeakPolarHBondContact O-CB 3.09Å; T212-S216 PolarHBondContact O-N 3.49Å; T212-S216 PolarHBondContact O-OG 2.91Å; T212-S216 VanDerWaalsContact O-OG 3.09Å
213K63.7Low64.1Low139 Ų139119.5 Ų119.560%0.60462%0.62SS**Hα-helixtrans-67-34.4170.7-82.4-179.4177.7173.90112.6N209 K211 D215 S216 K217N209-K213 VanDerWaalsContact O-CB 3.24Å; N209-K213 WeakPolarHBondContact O-CB 3.28Å; N209-K213 WeakPolarHBondContact O-CG 3.2Å; N209-K213 PolarHBondContact O-N 3.46Å; K211-K213 VanDerWaalsContact C-N 3.33Å; K211-K213 PolarHBondContact O-N 2.93Å; K213-D215 VanDerWaalsContact C-N 3.26Å; K213-D215 PolarHBondContact O-N 2.83Å; K213-S216 WeakPolarHBondContact CA-OG 3.33Å; K213-K217 WeakPolarHBondContact O-CA 3.36Å; K213-K217 WeakPolarHBondContact O-CB 3.48Å; K213-K217 PolarHBondContact O-N 2.85Å
214K59.6Low62.4Low142 Ų142114.8 Ų114.862%0.61762%0.624SS**Hα-helixtrans-64.9-37.4175.3-167.4178.6178.6-179.20110.7F210 K211F210-K214 WeakPolarHBondContact O-CB 3.48Å; F210-K214 PolarHBondContact O-N 3.18Å; K211-K214 WeakPolarHBondContact O-CB 3.34Å; K211-K214 PolarHBondContact O-N 3.01Å
215D58.2Low61.1Low125 Ų125121.2 Ų121.267%0.66865%0.648SS**Hα-helixtrans-78.2-34.7179-59.9-28.4000112.1K211 T212 K213K211-D215 PolarHBondContact O-N 3.44Å; T212-D215 PolarHBondContact O-N 3.04Å; K213-D215 VanDerWaalsContact C-N 3.26Å; K213-D215 PolarHBondContact O-N 2.83Å
216S54.1Low60.1Low78 Ų78129.3 Ų129.355%0.54567%0.671SS.*Hα-helixtrans-86.6-28.4179.4730000114.4T212 K213 G218 R219T212-S216 VanDerWaalsContact O-CB 3.32Å; T212-S216 WeakPolarHBondContact O-CB 3.09Å; T212-S216 PolarHBondContact O-N 3.49Å; T212-S216 PolarHBondContact O-OG 2.91Å; T212-S216 VanDerWaalsContact O-OG 3.09Å; K213-S216 WeakPolarHBondContact CA-OG 3.33Å; S216-G218 PolarHBondContact O-N 3.48Å; S216-R219 PolarHBondContact O-N 3.43Å
217K46Very low59.3Low144 Ų144130.3 Ų130.363%0.62668%0.676SS**G310 helixtrans-84.88.3178.8-144.7178.3-164.2-174.50113.1K213 R219K213-K217 WeakPolarHBondContact O-CA 3.36Å; K213-K217 WeakPolarHBondContact O-CB 3.48Å; K213-K217 PolarHBondContact O-N 2.85Å; K217-R219 PolarHBondContact O-N 3.47Å; K217-R219 VanDerWaalsContact O-N 3.11Å
218G51.1Low58.2Low69 Ų69128.4 Ų128.471%0.71168%0.684SS**G310 helixtrans-60.6-5.3158.100000113.8S216S216-G218 PolarHBondContact O-N 3.48Å
219R45.7Very low57.2Low233 Ų233132.1 Ų132.188%0.87970%0.7SS**G310 helixtrans-125.716.2-176.9-86.7-173.5157.1-176.3-5.4117.7S216 K217S216-R219 PolarHBondContact O-N 3.43Å; K217-R219 PolarHBondContact O-N 3.47Å; K217-R219 VanDerWaalsContact O-N 3.11Å
220L44.2Very low56.1Low138 Ų138136.2 Ų136.272%0.72372%0.716SS**SBendtrans-124.3102.9170.9-86.8122.6000113
221G44Very low54.7Low72 Ų72139.2 Ų139.274%0.74273%0.728SS**  75.1102.5129.300000116.3G223G221-G223 PolarHBondContact O-N 3.47Å
222K44.8Very low53.7Low229 Ų229138.5 Ų138.5100%0.99674%0.741SS**SBendtrans-56.190.1169.2-162.4166.8-178.6178.10110.8
223G45.4Very low52.9Low79 Ų79143.2 Ų143.281%0.81476%0.758SS**SBendtrans129.888.8166.700000115G221G221-G223 PolarHBondContact O-N 3.47Å
224G42.8Very low52.3Low71 Ų71141.8 Ų141.873%0.73277%0.765SS**SBendtrans163.6102.6167.700000114.5
225F55.7Low51.7Low185 Ų185146.6 Ų146.681%0.81178%0.779SS**  trans78.696.6164.7-147.6-100.5000117.9
226R59.4Low51.6Low240 Ų240149.4 Ų149.491%0.90681%0.809SS**PPolyproline II helixtrans-90116.7162.2-70.5-177.3179.7-164-0.3108.4
227P61.5Low51.4Low98 Ų98153 Ų15364%0.63682%0.822SS**PPolyproline II helixtrans-60.5143.6178.3-19.730.5000111.3K229P227-K229 PolarHBondContact O-N 3.36Å
228P58.2Low51.7Low118 Ų118153.5 Ų153.577%0.76683%0.832SS**PPolyproline II helixtrans-56.9136.3177.4-21.631.8000111.3H230P228-H230 PolarHBondContact O-N 3.28Å
229K59.9Low51.8Low202 Ų202158.2 Ų158.288%0.87884%0.839SS**PPolyproline II helixtrans-63.9127.7175.3-66.5-174.8179.9179.80109.1P227 K231P227-K229 PolarHBondContact O-N 3.36Å; K229-K231 PolarHBondContact O-N 3.09Å
230H56.8Low52.1Low181 Ų181153.8 Ų153.884%0.83884%0.837SS**  trans-57.8111.7174.7-160.3-76.6000108.9P228 A232P228-H230 PolarHBondContact O-N 3.28Å; H230-A232 PolarHBondContact O-N 3.3Å
231K49.5Very low52.6Low197 Ų197154.8 Ų154.886%0.85784%0.844SS**  trans-78.6115.4164.9-71.5-164.5177.6-174.10106.3K229 E233K229-K231 PolarHBondContact O-N 3.09Å; K231-E233 PolarHBondContact O-N 2.77Å
232A54.7Low53.2Low86 Ų86160.3 Ų160.371%0.71185%0.851SS**  trans-63119168.100000107.3H230 S234H230-A232 PolarHBondContact O-N 3.3Å; A232-S234 PolarHBondContact O-N 3.18Å; A232-S234 VanDerWaalsContact O-N 3.15Å
233E55.5Low53.8Low181 Ų181155.4 Ų155.485%0.84684%0.84SS**  trans-63.5114.7170.1-173.3174.7-159.500107.5K231 R235K231-E233 PolarHBondContact O-N 2.77Å; E233-R235 PolarHBondContact O-N 3.39Å; E233-R235 VanDerWaalsContact O-N 3.08Å
234S51.9Low54.4Low109 Ų109161.2 Ų161.276%0.76284%0.842SS**  trans-67.6104.2171.243.90000107.5A232 S236A232-S234 PolarHBondContact O-N 3.18Å; A232-S234 VanDerWaalsContact O-N 3.15Å; S234-S236 PolarHBondContact O-N 2.88Å
235R46.3Very low55.4Low244 Ų244168.8 Ų168.892%0.92185%0.852SS**  trans-58.2108.6164.2-72.1179.6157.7-167.4-8107.5E233E233-R235 PolarHBondContact O-N 3.39Å; E233-R235 VanDerWaalsContact O-N 3.08Å
236S55.3Low55.4Low184 Ų184167.3 Ų167.3100%1.28786%0.855SS**  trans-88.30162.5-161.20000110.1S234S234-S236 PolarHBondContact O-N 2.88Å

Retrieved 236 of 236 residues in 62.9 ms (Link to these results)