A0A077Z7K1_TRITR Loading...

USP6 N terminal protein

AlphaFold DB , UniProt , Accession A0A077Z7K1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 406 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
1A31.7Very low31.6Very low152 Ų152145.5 Ų145.5100%1.25682%0.819SS**  0177.9000000108.7
2E35.2Very low31.8Very low184 Ų184149.1 Ų149.186%0.8682%0.824SS**  trans62.670.3-177.4-56.6-163.8158.800115.4I4E2-I4 PolarHBondContact O-N 3.34Å
3T32.7Very low32Very low146 Ų146152.8 Ų152.890%0.89683%0.832SS**  trans-68.3102.61638.60000110.1N5T3-N5 PolarHBondContact O-N 3.35Å
4I38.4Very low32.6Very low153 Ų153150.8 Ų150.879%0.78582%0.819SS**  trans-66.1104.5176.1-59.4176.6000109.4E2 V6E2-I4 PolarHBondContact O-N 3.34Å; I4-V6 HydrophobicContact CG2-CG2 4.11Å; I4-V6 PolarHBondContact O-N 3.12Å
5N30.8Very low33.8Very low153 Ų153145.9 Ų145.982%0.81879%0.792SS**  trans-79.482-175.4-164.85.7000111T3 P7T3-N5 PolarHBondContact O-N 3.35Å; N5-P7 WeakPolarHBondContact O-CD 3.28Å
6V31.9Very low34.8Very low109 Ų109143.7 Ų143.766%0.66178%0.784SS**  trans-72.3119.2177.9-177.70000109.3I4 R8I4-V6 HydrophobicContact CG2-CG2 4.11Å; I4-V6 PolarHBondContact O-N 3.12Å; V6-R8 PolarHBondContact O-N 2.91Å
7P26.6Very low36Very low98 Ų98139.4 Ų139.464%0.63676%0.76SS**  trans-65.9128.3-176.925.7-33.7000111.1N5 Q9N5-P7 WeakPolarHBondContact O-CD 3.28Å; P7-Q9 PolarHBondContact O-N 3.21Å
8R29Very low37.1Very low253 Ų253132.9 Ų132.996%0.95572%0.724SS**  trans-68.177.3167-76.8-178.1171173.9-3110V6V6-R8 PolarHBondContact O-N 2.91Å
9Q32.6Very low38Very low172 Ų172131 Ų13180%0.80471%0.706SS**  trans-63.2134.3162.9-73.2-172.2-2500109.1P7 A11P7-Q9 PolarHBondContact O-N 3.21Å; Q9-A11 PolarHBondContact O-N 3.08Å
10S28.8Very low38.8Very low121 Ų121128.3 Ų128.385%0.84670%0.698SS**  trans-56.3128.2-176.636.50000111.4
11A30.5Very low39.8Very low59 Ų59128.8 Ų128.849%0.48869%0.689SS.*  trans-99.3104.8163.200000107.2Q9Q9-A11 PolarHBondContact O-N 3.08Å
12E34Very low41.1Very low189 Ų189122.7 Ų122.788%0.88364%0.636SS**  trans-171.7-22.5151.5-107.1142.8-144.800114.1L14E12-L14 VanDerWaalsContact C-N 3.32Å; E12-L14 PolarHBondContact O-N 3.44Å
13E33.3Very low42.5Very low198 Ų198115.4 Ų115.493%0.92560%0.604SS**  trans-75.582.8169.7-68.5-166.615200112.1D15E13-D15 PolarHBondContact O-N 2.81Å
14L41.7Very low44.1Very low124 Ų124114.2 Ų114.265%0.64958%0.582SS**  trans-65.1110.4154.7-85.5162.3000108.2E12 V16 Y19E12-L14 VanDerWaalsContact C-N 3.32Å; E12-L14 PolarHBondContact O-N 3.44Å; L14-V16 VanDerWaalsContact C-N 3.33Å; L14-V16 VanDerWaalsContact O-CG2 3.24Å; L14-V16 WeakPolarHBondContact O-CG2 3.43Å; L14-V16 PolarHBondContact O-N 2.68Å; L14-Y19 HydrophobicContact CD2-CE2 4.06Å
15D49.3Very low45.2Very low77 Ų77109 Ų10941%0.41255%0.554SS.*  trans-61.291174.2-175.9-14.4000110.7E13 D17 I18 Y19E13-D15 PolarHBondContact O-N 2.81Å; D15-D17 PolarHBondContact O-N 2.74Å; D15-D17 WeakPolarHBondContact OD1-CB 3.26Å; D15-D17 PolarHBondContact OD1-N 3.3Å; D15-I18 HydrophobicContact CB-CD1 4.06Å; D15-I18 HydrophobicContact CB-CG1 4.31Å; D15-I18 PolarHBondContact O-N 3.33Å; D15-I18 PolarHBondContact OD1-N 2.9Å; D15-I18 VanDerWaalsContact OD1-N 3.17Å; D15-I18 WeakPolarHBondContact OD2-CD1 3.45Å; D15-I18 VanDerWaalsContact OD2-CG1 3.3Å; D15-I18 WeakPolarHBondContact OD2-CG1 3.44Å; D15-Y19 WeakPolarHBondContact O-CD2 3.31Å
16V50.4Low46.6Very low111 Ų111102 Ų10267%0.67352%0.518SS*.Hα-helixtrans-65-28.3-176.9-170.90000111.1L14 I18 Y19 S20L14-V16 VanDerWaalsContact C-N 3.33Å; L14-V16 VanDerWaalsContact O-CG2 3.24Å; L14-V16 WeakPolarHBondContact O-CG2 3.43Å; L14-V16 PolarHBondContact O-N 2.68Å; V16-I18 VanDerWaalsContact C-N 3.34Å; V16-Y19 PolarHBondContact O-N 3.43Å; V16-S20 PolarHBondContact O-N 3.47Å
17D55.5Low48Very low71 Ų7197.8 Ų97.838%0.3849%0.491SS..Hα-helixtrans-70.1-29.4179.6-173.163.8000112.4D15 S20 R21D15-D17 PolarHBondContact O-N 2.74Å; D15-D17 WeakPolarHBondContact OD1-CB 3.26Å; D15-D17 PolarHBondContact OD1-N 3.3Å; D17-S20 PolarHBondContact O-OG 3.3Å; D17-S20 VanDerWaalsContact O-OG 3.13Å; D17-R21 VanDerWaalsContact CG-CZ 3.41Å; D17-R21 WeakPolarHBondContact O-CB 3.34Å; D17-R21 WeakPolarHBondContact O-CD 3.48Å; D17-R21 WeakPolarHBondContact O-CG 3.36Å; D17-R21 PolarHBondContact O-N 2.89Å; D17-R21 IonicContact OD1-CZ 2.69Å; D17-R21 IonicContact OD1-NE 3.84Å; D17-R21 PolarHBondContact OD1-NE 3.33Å; D17-R21 IonicContact OD1-NH2 2.77Å; D17-R21 PolarHBondContact OD1-NH2 3.26Å; D17-R21 IonicContact OD2-CZ 3.12Å; D17-R21 IonicContact OD2-NE 2.77Å; D17-R21 PolarHBondContact OD2-NE 3.32Å; D17-R21 IonicContact OD2-NH1 2.95Å; D17-R21 IonicContact OD2-NH2 2.75Å; D17-R21 PolarHBondContact OD2-NH2 2.86Å
18I55.6Low49.5Very low22 Ų2295.7 Ų95.711%0.11348%0.476CS..Hα-helixtrans-62.6-47.6167.6-72.4174000110.7D15 V16 R21 T22 V126D15-I18 HydrophobicContact CB-CD1 4.06Å; D15-I18 HydrophobicContact CB-CG1 4.31Å; D15-I18 PolarHBondContact O-N 3.33Å; D15-I18 PolarHBondContact OD1-N 2.9Å; D15-I18 VanDerWaalsContact OD1-N 3.17Å; D15-I18 WeakPolarHBondContact OD2-CD1 3.45Å; D15-I18 VanDerWaalsContact OD2-CG1 3.3Å; D15-I18 WeakPolarHBondContact OD2-CG1 3.44Å; V16-I18 VanDerWaalsContact C-N 3.34Å; I18-R21 CarbonylContact O-C 3.54Å; I18-R21 PolarHBondContact O-N 3.34Å; I18-T22 HydrophobicContact CG2-CG2 4.26Å; I18-T22 WeakPolarHBondContact O-CG2 3.28Å; I18-T22 PolarHBondContact O-N 3.14Å; I18-V126 HydrophobicContact CG2-CG2 3.93Å
19Y54.8Low50.7Low97 Ų9789.1 Ų89.138%0.3846%0.457SS..Hα-helixtrans-69.8-40.2-175.8-69.1-75.5000112.8L14 D15 V16 R21 T22 V126 Q130L14-Y19 HydrophobicContact CD2-CE2 4.06Å; D15-Y19 WeakPolarHBondContact O-CD2 3.31Å; V16-Y19 PolarHBondContact O-N 3.43Å; Y19-R21 PolarHBondContact O-N 3.47Å; Y19-T22 PolarHBondContact O-N 3.34Å; Y19-T22 VanDerWaalsContact O-N 3.13Å; Y19-T22 PolarHBondContact O-OG1 3.19Å; Y19-V126 HydrophobicContact CE1-CG1 4.19Å; Y19-Q130 PolarHBondContact OH-NE2 3.37Å
20S54.3Low51.3Low76 Ų7687.3 Ų87.353%0.53146%0.461SS..Hα-helixtrans-61.5-29.5176.172.20000112.6V16 D17 V31V16-S20 PolarHBondContact O-N 3.47Å; D17-S20 PolarHBondContact O-OG 3.3Å; D17-S20 VanDerWaalsContact O-OG 3.13Å; S20-V31 WeakPolarHBondContact O-CG2 3.43Å
21R58.6Low52.3Low140 Ų14084.8 Ų84.853%0.52844%0.44SS..THydrogen-bonded Turntrans-95.413.9178-61.1177.3-166.9-160.910.9113.9D17 I18 Y19 T28 Q29D17-R21 VanDerWaalsContact CG-CZ 3.41Å; D17-R21 WeakPolarHBondContact O-CB 3.34Å; D17-R21 WeakPolarHBondContact O-CD 3.48Å; D17-R21 WeakPolarHBondContact O-CG 3.36Å; D17-R21 PolarHBondContact O-N 2.89Å; D17-R21 IonicContact OD1-CZ 2.69Å; D17-R21 IonicContact OD1-NE 3.84Å; D17-R21 PolarHBondContact OD1-NE 3.33Å; D17-R21 IonicContact OD1-NH2 2.77Å; D17-R21 PolarHBondContact OD1-NH2 3.26Å; D17-R21 IonicContact OD2-CZ 3.12Å; D17-R21 IonicContact OD2-NE 2.77Å; D17-R21 PolarHBondContact OD2-NE 3.32Å; D17-R21 IonicContact OD2-NH1 2.95Å; D17-R21 IonicContact OD2-NH2 2.75Å; D17-R21 PolarHBondContact OD2-NH2 2.86Å; I18-R21 CarbonylContact O-C 3.54Å; I18-R21 PolarHBondContact O-N 3.34Å; Y19-R21 PolarHBondContact O-N 3.47Å; R21-T28 CarbonylContact O-C 3.59Å; R21-T28 VanDerWaalsContact O-CA 3.22Å; R21-T28 WeakPolarHBondContact O-CA 3.36Å; R21-Q29 CarbonylContact C-O 3.48Å; R21-Q29 CarbonylContact O-C 3.55Å; R21-Q29 PolarHBondContact O-N 3Å
22T58.6Low53.2Low23 Ų2388 Ų8814%0.14145%0.454CS..BIsolated β-bridgetrans-105.6128.5179.152.40000113.6I18 Y19 F27 T28 V31 V126I18-T22 HydrophobicContact CG2-CG2 4.26Å; I18-T22 WeakPolarHBondContact O-CG2 3.28Å; I18-T22 PolarHBondContact O-N 3.14Å; Y19-T22 PolarHBondContact O-N 3.34Å; Y19-T22 VanDerWaalsContact O-N 3.13Å; Y19-T22 PolarHBondContact O-OG1 3.19Å; T22-F27 WeakPolarHBondContact CA-O 3.42Å; T22-T28 HydrophobicContact CG2-CG2 3.92Å; T22-V31 VanDerWaalsContact C-CG2 3.42Å; T22-V31 WeakPolarHBondContact O-CG2 3.26Å; T22-V126 HydrophobicContact CG2-CG2 3.31Å
23D65.6Low54.1Low32 Ų3284.5 Ų84.517%0.17145%0.448CS..  trans-64.7169.7173.489.6-21.3000110.9F25 G26 F27D23-F25 PolarHBondContact O-N 2.87Å; D23-F25 VanDerWaalsContact OD1-CA 3.28Å; D23-F25 WeakPolarHBondContact OD1-CA 3.31Å; D23-F25 PolarHBondContact OD1-N 3.17Å; D23-G26 PolarHBondContact O-N 2.95Å; D23-G26 PolarHBondContact OD1-N 3.01Å; D23-F27 PolarHBondContact N-O 3.4Å; D23-F27 PolarHBondContact OD1-N 3.47Å
24R67Low55.2Low120 Ų12080.1 Ų80.145%0.45343%0.43SS..THydrogen-bonded Turntrans-60.6-14.7-179.6-171.8168-171.7-175.74.8114E42 F382R24-E42 IonicContact CZ-OE1 2.68Å; R24-E42 IonicContact CZ-OE2 2.64Å; R24-E42 IonicContact NH1-OE1 3.4Å; R24-E42 PolarHBondContact NH1-OE1 2.64Å; R24-E42 IonicContact NH1-OE2 3.64Å; R24-E42 PolarHBondContact NH1-OE2 3.33Å; R24-E42 VanDerWaalsContact NH2-CD 3.33Å; R24-E42 IonicContact NH2-OE1 2.67Å; R24-E42 PolarHBondContact NH2-OE1 3.17Å; R24-E42 IonicContact NH2-OE2 2.77Å; R24-E42 PolarHBondContact NH2-OE2 3.46Å; R24-F382 VanDerWaalsContact O-CE1 3.25Å; R24-F382 WeakPolarHBondContact O-CE1 3.3Å
25F61.5Low56.2Low44 Ų4484 Ų8419%0.19344%0.437CS..THydrogen-bonded Turntrans-105.716.8177.9-52.8-71.7000112.2D23 F27 H125 F255 L259 F382D23-F25 PolarHBondContact O-N 2.87Å; D23-F25 VanDerWaalsContact OD1-CA 3.28Å; D23-F25 WeakPolarHBondContact OD1-CA 3.31Å; D23-F25 PolarHBondContact OD1-N 3.17Å; F25-F27 VanDerWaalsContact C-N 3.33Å; F25-F27 HydrophobicContact CB-CD2 3.94Å; F25-F27 HydrophobicContact CB-CE2 4.03Å; F25-F27 WeakPolarHBondContact O-CD2 3.39Å; F25-F27 VanDerWaalsContact O-CE2 3.25Å; F25-F27 WeakPolarHBondContact O-CE2 3.37Å; F25-F27 PolarHBondContact O-N 3.13Å; F25-H125 PolarHBondContact O-CD2 3.32Å; F25-H125 VanDerWaalsContact O-CD2 3.24Å; F25-H125 PolarHBondContact O-NE2 2.95Å; F25-F255 HydrophobicContact CB-CD1 3.55Å; F25-F255 HydrophobicContact CB-CE1 3.44Å; F25-F255 VanDerWaalsContact CB-CE1 3.44Å; F25-F255 HydrophobicContact CB-CZ 4.49Å; F25-F255 HydrophobicContact CD1-CD1 4.09Å; F25-F255 AromaticContact CD1-CE1 3.7Å; F25-F255 HydrophobicContact CD1-CE1 3.7Å; F25-F255 AromaticContact CD2-CD1 3.92Å; F25-F255 HydrophobicContact CD2-CD1 3.92Å; F25-F255 HydrophobicContact CD2-CE1 4.35Å; F25-F255 AromaticContact CG-CD1 3.57Å; F25-F255 HydrophobicContact CG-CD1 3.57Å; F25-F255 AromaticContact CG-CE1 3.57Å; F25-F255 HydrophobicContact CG-CE1 3.57Å; F25-L259 HydrophobicContact CD1-CD1 3.66Å; F25-L259 HydrophobicContact CE1-CD1 3.4Å; F25-L259 HydrophobicContact CZ-CD1 4.13Å; F25-F382 VanDerWaalsContact C-CD1 3.42Å
26G59.3Low57Low5 Ų586.9 Ų86.95%0.05245%0.447CS..SBendtrans7512.8169.500000115.5D23 H125 V126D23-G26 PolarHBondContact O-N 2.95Å; D23-G26 PolarHBondContact OD1-N 3.01Å; G26-H125 WeakPolarHBondContact CA-NE2 3.21Å; G26-H125 WeakPolarHBondContact O-CA 3.29Å; G26-H125 PolarHBondContact O-CD2 3.18Å; G26-H125 PolarHBondContact O-CE1 3.35Å; G26-H125 VanDerWaalsContact O-CG 3.28Å; G26-H125 PolarHBondContact O-ND1 3.25Å; G26-V126 PolarHBondContact O-N 3.4Å; G26-V126 VanDerWaalsContact O-N 3.1Å
27F61.6Low58Low21 Ų2186.7 Ų86.79%0.09245%0.446CS..BIsolated β-bridgetrans-90.8138.7173.5-62.6-83.9000111T22 D23 F25 Q29 H125 F255 F384T22-F27 WeakPolarHBondContact CA-O 3.42Å; D23-F27 PolarHBondContact N-O 3.4Å; D23-F27 PolarHBondContact OD1-N 3.47Å; F25-F27 VanDerWaalsContact C-N 3.33Å; F25-F27 HydrophobicContact CB-CD2 3.94Å; F25-F27 HydrophobicContact CB-CE2 4.03Å; F25-F27 WeakPolarHBondContact O-CD2 3.39Å; F25-F27 VanDerWaalsContact O-CE2 3.25Å; F25-F27 WeakPolarHBondContact O-CE2 3.37Å; F25-F27 PolarHBondContact O-N 3.13Å; F27-Q29 HydrophobicContact CB-CG 4.5Å; F27-Q29 PolarHBondContact O-N 3.04Å; F27-H125 HydrophobicContact CD1-CB 4.05Å; F27-H125 HydrophobicContact CE1-CB 3.99Å; F27-H125 AromaticContact CE1-CD2 3.78Å; F27-H125 AromaticContact CE2-CD2 3.8Å; F27-H125 AromaticContact CZ-CD2 3.64Å; F27-F255 HydrophobicContact CD2-CD1 4.42Å; F27-F255 HydrophobicContact CD2-CG 4.37Å; F27-F255 HydrophobicContact CE2-CB 4.45Å; F27-F255 AromaticContact CE2-CD1 3.82Å; F27-F255 HydrophobicContact CE2-CD1 3.82Å; F27-F255 AromaticContact CE2-CD2 3.65Å; F27-F255 HydrophobicContact CE2-CD2 3.65Å; F27-F255 AromaticContact CE2-CE1 3.92Å; F27-F255 HydrophobicContact CE2-CE1 3.92Å; F27-F255 AromaticContact CE2-CE2 3.75Å; F27-F255 HydrophobicContact CE2-CE2 3.75Å; F27-F255 AromaticContact CE2-CG 3.69Å; F27-F255 HydrophobicContact CE2-CG 3.69Å; F27-F255 AromaticContact CE2-CZ 3.89Å; F27-F255 HydrophobicContact CE2-CZ 3.89Å; F27-F255 AromaticContact CZ-CD2 3.83Å; F27-F255 HydrophobicContact CZ-CD2 3.83Å; F27-F255 AromaticContact CZ-CE2 3.83Å; F27-F255 HydrophobicContact CZ-CE2 3.83Å; F27-F255 HydrophobicContact CZ-CG 4.31Å; F27-F255 HydrophobicContact CZ-CZ 4.32Å; F27-F384 WeakPolarHBondContact CZ-O 3.41Å
28T57.3Low58.9Low54 Ų5485.2 Ų85.233%0.33144%0.444SS..BIsolated β-bridgetrans-69.8104.6174.754.80000110.8R21 T22 N124R21-T28 CarbonylContact O-C 3.59Å; R21-T28 VanDerWaalsContact O-CA 3.22Å; R21-T28 WeakPolarHBondContact O-CA 3.36Å; T22-T28 HydrophobicContact CG2-CG2 3.92Å; T28-N124 PolarHBondContact N-O 3.49Å; T28-N124 VanDerWaalsContact N-O 3.1Å; T28-N124 PolarHBondContact OG1-O 2.88Å
29Q55Low59.7Low116 Ų11690.1 Ų90.154%0.54247%0.465SS..SBendtrans-150.5152177.1-61.2-168.33300109.7R21 F27 V31R21-Q29 CarbonylContact C-O 3.48Å; R21-Q29 CarbonylContact O-C 3.55Å; R21-Q29 PolarHBondContact O-N 3Å; F27-Q29 HydrophobicContact CB-CG 4.5Å; F27-Q29 PolarHBondContact O-N 3.04Å; Q29-V31 WeakPolarHBondContact O-CG2 3.19Å; Q29-V31 PolarHBondContact O-N 3.04Å
30C44Very low60.9Low133 Ų13388.6 Ų88.690%0.89946%0.462SS*.  trans-60.2108.4178.2-64.70000111.5T32C30-T32 PolarHBondContact O-N 3.37Å
31V51.1Low62.2Low68 Ų6887.4 Ų87.441%0.41246%0.456SS..PPolyproline II helixtrans-79.3122.5-173.5-165.90000110S20 T22 Q29S20-V31 WeakPolarHBondContact O-CG2 3.43Å; T22-V31 VanDerWaalsContact C-CG2 3.42Å; T22-V31 WeakPolarHBondContact O-CG2 3.26Å; Q29-V31 WeakPolarHBondContact O-CG2 3.19Å; Q29-V31 PolarHBondContact O-N 3.04Å
32T49.2Very low63.2Low126 Ų12682.6 Ų82.677%0.77344%0.44SS*.PPolyproline II helixtrans-87.7125.3162.137.30000108.9C30 L34C30-T32 PolarHBondContact O-N 3.37Å; T32-L34 PolarHBondContact O-N 3.38Å
33P52.8Low64.5Low117 Ų11785.3 Ų85.376%0.7645%0.453SS*.PPolyproline II helixtrans-57.6131-179.1-28.436000112.7R35P33-R35 PolarHBondContact O-N 3.38Å
34L57Low65.6Low105 Ų10592.9 Ų92.955%0.5548%0.479SS..  trans-63.5104.2175.6-88.2161.8000110.1T32 H36 A38T32-L34 PolarHBondContact O-N 3.38Å; L34-H36 PolarHBondContact O-N 2.82Å; L34-A38 HydrophobicContact CD2-CB 3.9Å
35R61.6Low66.7Low207 Ų20791.2 Ų91.278%0.78147%0.473SS*.  trans-48.1139.8174.5-67.7-175.4177.5-172.6-1.6110.4P33 T37 A38P33-R35 PolarHBondContact O-N 3.38Å; R35-T37 PolarHBondContact O-N 3.1Å; R35-A38 WeakPolarHBondContact O-CB 3.48Å; R35-A38 PolarHBondContact O-N 2.84Å
36H65.6Low68.1Low136 Ų13690.1 Ų90.163%0.6347%0.468SS*.Hα-helixtrans-49.7-37.7-173.9-176-119000113.9L34 A38 K39 M40L34-H36 PolarHBondContact O-N 2.82Å; H36-A38 VanDerWaalsContact C-N 3.32Å; H36-A38 PolarHBondContact O-N 3.23Å; H36-K39 PolarHBondContact O-N 3.34Å; H36-M40 WeakPolarHBondContact O-CG 3.28Å; H36-M40 PolarHBondContact O-N 3.23Å
37T72.4Confident69.7Low107 Ų10795 Ų9566%0.65649%0.49SS*.Hα-helixtrans-58.5-37.1175.550.70000113.8R35 A41R35-T37 PolarHBondContact O-N 3.1Å; T37-A41 WeakPolarHBondContact O-CB 3.48Å; T37-A41 PolarHBondContact O-N 3.26Å
38A73.2Confident71.2Confident41 Ų4197.8 Ų97.834%0.33950%0.502SS..Hα-helixtrans-70.2-42.4177.200000111.7L34 R35 H36 M40 A41 E42L34-A38 HydrophobicContact CD2-CB 3.9Å; R35-A38 WeakPolarHBondContact O-CB 3.48Å; R35-A38 PolarHBondContact O-N 2.84Å; H36-A38 VanDerWaalsContact C-N 3.32Å; H36-A38 PolarHBondContact O-N 3.23Å; A38-M40 VanDerWaalsContact C-N 3.33Å; A38-M40 PolarHBondContact O-N 3.02Å; A38-A41 PolarHBondContact O-N 2.81Å; A38-E42 PolarHBondContact O-N 3.31Å
39K74.3Confident73Confident125 Ų12595.4 Ų95.454%0.54349%0.487SS..Hα-helixtrans-58.7-44.4173.9-171.6177-179-1800111H36 E42 L43H36-K39 PolarHBondContact O-N 3.34Å; K39-E42 PolarHBondContact O-N 2.89Å; K39-L43 WeakPolarHBondContact O-CG 3.24Å; K39-L43 PolarHBondContact O-N 3.02Å
40M79.6Confident74.9Confident65 Ų6593.5 Ų93.532%0.3248%0.48SS..Hα-helixtrans-67.5-39176.3-69.3-61.7129.700113.4H36 A38 E42 L43 R44H36-M40 WeakPolarHBondContact O-CG 3.28Å; H36-M40 PolarHBondContact O-N 3.23Å; A38-M40 VanDerWaalsContact C-N 3.33Å; A38-M40 PolarHBondContact O-N 3.02Å; M40-E42 VanDerWaalsContact C-N 3.25Å; M40-E42 PolarHBondContact O-N 3.5Å; M40-L43 HydrophobicContact CE-CD1 3.71Å; M40-L43 PolarHBondContact O-N 2.87Å; M40-L43 HydrophobicContact SD-CD1 4.17Å; M40-R44 WeakPolarHBondContact O-CD 3.36Å; M40-R44 VanDerWaalsContact O-CG 3.29Å; M40-R44 WeakPolarHBondContact O-CG 3.15Å; M40-R44 PolarHBondContact O-N 2.76Å
41A81.2Confident77.3Confident50 Ų5092.8 Ų92.841%0.41346%0.461SS..Hα-helixtrans-63.7-32.1175.100000112.4T37 A38 R45T37-A41 WeakPolarHBondContact O-CB 3.48Å; T37-A41 PolarHBondContact O-N 3.26Å; A38-A41 PolarHBondContact O-N 2.81Å; A41-R45 PolarHBondContact O-N 3.28Å
42E80.5Confident79.4Confident39 Ų3989.5 Ų89.518%0.18244%0.442CS..Hα-helixtrans-75.8-46.7174.7-174.6178.9-127.300113.1R24 A38 K39 M40 R44 R45 E46R24-E42 IonicContact CZ-OE1 2.68Å; R24-E42 IonicContact CZ-OE2 2.64Å; R24-E42 IonicContact NH1-OE1 3.4Å; R24-E42 PolarHBondContact NH1-OE1 2.64Å; R24-E42 IonicContact NH1-OE2 3.64Å; R24-E42 PolarHBondContact NH1-OE2 3.33Å; R24-E42 VanDerWaalsContact NH2-CD 3.33Å; R24-E42 IonicContact NH2-OE1 2.67Å; R24-E42 PolarHBondContact NH2-OE1 3.17Å; R24-E42 IonicContact NH2-OE2 2.77Å; R24-E42 PolarHBondContact NH2-OE2 3.46Å; A38-E42 PolarHBondContact O-N 3.31Å; K39-E42 PolarHBondContact O-N 2.89Å; M40-E42 VanDerWaalsContact C-N 3.25Å; M40-E42 PolarHBondContact O-N 3.5Å; E42-R44 PolarHBondContact O-N 3.49Å; E42-R45 CarbonylContact O-C 3.43Å; E42-R45 VanDerWaalsContact O-CA 3.29Å; E42-R45 WeakPolarHBondContact O-CA 3.26Å; E42-R45 WeakPolarHBondContact O-CB 3.05Å; E42-R45 PolarHBondContact O-N 3.14Å; E42-E46 HydrophobicContact CG-CG 4.19Å; E42-E46 WeakPolarHBondContact O-CG 3.19Å; E42-E46 PolarHBondContact O-N 3.37Å
43L85.2Confident81.6Confident80 Ų8084.1 Ų84.142%0.41941%0.408SS..Hα-helixtrans-54.8-38.8176.9-71.2173.9000111.8K39 M40 E46 H47K39-L43 WeakPolarHBondContact O-CG 3.24Å; K39-L43 PolarHBondContact O-N 3.02Å; M40-L43 HydrophobicContact CE-CD1 3.71Å; M40-L43 PolarHBondContact O-N 2.87Å; M40-L43 HydrophobicContact SD-CD1 4.17Å; L43-E46 PolarHBondContact O-N 2.95Å; L43-H47 WeakPolarHBondContact O-CB 3.43Å; L43-H47 PolarHBondContact O-N 3.19Å
44R88.6Confident83.6Confident192 Ų19284.9 Ų84.973%0.72541%0.405SS*.Hα-helixtrans-63.5-39.5171.7-67.9168.6-178.7173.40.1112.7M40 E42 K48M40-R44 WeakPolarHBondContact O-CD 3.36Å; M40-R44 VanDerWaalsContact O-CG 3.29Å; M40-R44 WeakPolarHBondContact O-CG 3.15Å; M40-R44 PolarHBondContact O-N 2.76Å; E42-R44 PolarHBondContact O-N 3.49Å; R44-K48 PolarHBondContact O-N 2.9Å
45R89.1Confident85.4Confident85 Ų8588 Ų8832%0.32141%0.409SS..Hα-helixtrans-65.3-43.4175.5-167.3-173.9-62.6-151.5-0.5110.9A41 E42 K48 W49 K71 P74A41-R45 PolarHBondContact O-N 3.28Å; E42-R45 CarbonylContact O-C 3.43Å; E42-R45 VanDerWaalsContact O-CA 3.29Å; E42-R45 WeakPolarHBondContact O-CA 3.26Å; E42-R45 WeakPolarHBondContact O-CB 3.05Å; E42-R45 PolarHBondContact O-N 3.14Å; R45-K48 WeakPolarHBondContact O-CB 3.42Å; R45-K48 PolarHBondContact O-N 3.45Å; R45-W49 VanDerWaalsContact O-CD1 3.27Å; R45-W49 PolarHBondContact O-N 3.35Å; R45-K71 PolarHBondContact NH1-O 2.88Å; R45-P74 HydrophobicContact CG-CG 4.17Å
46E91.7Very high87Confident21 Ų2179.1 Ų79.110%0.09838%0.376CS..Hα-helixtrans-64.2-48.5177.7-70.3-173.7136.700112.5E42 L43 K48 W49 L50 P74 K76 F77E42-E46 HydrophobicContact CG-CG 4.19Å; E42-E46 WeakPolarHBondContact O-CG 3.19Å; E42-E46 PolarHBondContact O-N 3.37Å; L43-E46 PolarHBondContact O-N 2.95Å; E46-K48 PolarHBondContact O-N 2.81Å; E46-W49 PolarHBondContact O-N 3.03Å; E46-L50 PolarHBondContact O-N 3.4Å; E46-P74 HydrophobicContact CG-CB 3.63Å; E46-P74 HydrophobicContact CG-CG 3.75Å; E46-K76 VanDerWaalsContact OE1-CD 3.24Å; E46-K76 WeakPolarHBondContact OE1-CD 3.39Å; E46-K76 WeakPolarHBondContact OE1-CE 3.44Å; E46-K76 IonicContact OE1-NZ 3.05Å; E46-K76 PolarHBondContact OE1-NZ 3.41Å; E46-K76 IonicContact OE2-NZ 2.71Å; E46-K76 PolarHBondContact OE2-NZ 3.27Å; E46-F77 HydrophobicContact CB-CE2 3.94Å; E46-F77 HydrophobicContact CG-CE2 4.29Å; E46-F77 WeakPolarHBondContact O-CE2 3.37Å
47H92.7Very high88.3Confident107 Ų10777.8 Ų77.850%0.49538%0.382SS..Hα-helixtrans-58.3-37.1176.5-176.468.5000112.3L43 K51L43-H47 WeakPolarHBondContact O-CB 3.43Å; L43-H47 PolarHBondContact O-N 3.19Å; H47-K51 VanDerWaalsContact NE2-CE 3.3Å; H47-K51 WeakPolarHBondContact NE2-CE 3.4Å; H47-K51 PolarHBondContact NE2-NZ 2.9Å; H47-K51 WeakPolarHBondContact O-CG 3.44Å; H47-K51 PolarHBondContact O-N 3.02Å; H47-K51 VanDerWaalsContact O-N 3.17Å
48K93.2Very high89.4Confident80 Ų8080.4 Ų80.435%0.34838%0.384SS..Hα-helixtrans-66-41.9173.1-171.4-160.1175.7-155.10112.2R44 R45 E46 K51 M52 S68R44-K48 PolarHBondContact O-N 2.9Å; R45-K48 WeakPolarHBondContact O-CB 3.42Å; R45-K48 PolarHBondContact O-N 3.45Å; E46-K48 PolarHBondContact O-N 2.81Å; K48-K51 PolarHBondContact O-N 3.47Å; K48-M52 HydrophobicContact CG-SD 4.43Å; K48-M52 WeakPolarHBondContact O-CG 3.41Å; K48-M52 PolarHBondContact O-N 3.12Å; K48-M52 VanDerWaalsContact O-N 3.16Å; K48-S68 PolarHBondContact NZ-OG 2.95Å
49W95.4Very high90.3Very high3 Ų380 Ų801%0.01137%0.374CS..Hα-helixtrans-67.5-41.4178.2-89.5107.9000112.6R45 E46 K51 M52 L53 L65 I69 G72 V73 P74 F77 V81R45-W49 VanDerWaalsContact O-CD1 3.27Å; R45-W49 PolarHBondContact O-N 3.35Å; E46-W49 PolarHBondContact O-N 3.03Å; W49-K51 PolarHBondContact O-N 2.82Å; W49-M52 HydrophobicContact CE3-CE 4.4Å; W49-M52 HydrophobicContact CZ3-CE 4.25Å; W49-M52 CarbonylContact O-C 3.6Å; W49-M52 WeakPolarHBondContact O-CA 3.46Å; W49-M52 WeakPolarHBondContact O-CB 3.19Å; W49-M52 PolarHBondContact O-N 2.66Å; W49-L53 PolarHBondContact O-N 3.25Å; W49-L65 HydrophobicContact CH2-CD1 4.09Å; W49-L65 HydrophobicContact CZ3-CD1 3.98Å; W49-I69 HydrophobicContact CH2-CG1 3.69Å; W49-I69 HydrophobicContact CZ2-CG1 4.27Å; W49-G72 PolarHBondContact NE1-O 2.89Å; W49-V73 HydrophobicContact CH2-CG2 3.88Å; W49-V73 HydrophobicContact CZ2-CB 4.33Å; W49-V73 HydrophobicContact CZ2-CG2 3.72Å; W49-P74 HydrophobicContact CG-CG 4.31Å; W49-F77 HydrophobicContact CB-CD2 3.73Å; W49-F77 HydrophobicContact CB-CE2 4.06Å; W49-F77 HydrophobicContact CB-CG 4.49Å; W49-V81 HydrophobicContact CE3-CG2 3.79Å; W49-V81 HydrophobicContact CH2-CG1 4.13Å; W49-V81 HydrophobicContact CH2-CG2 4.16Å; W49-V81 HydrophobicContact CZ3-CB 4.48Å; W49-V81 HydrophobicContact CZ3-CG1 4.09Å; W49-V81 HydrophobicContact CZ3-CG2 3.47Å; W49-V81 VanDerWaalsContact CZ3-CG2 3.47Å
50L95Very high91.2Very high77 Ų7779.3 Ų79.340%0.40337%0.373SS..Hα-helixtrans-56.4-48.7172-178.162.4000111.3E46 M52 L53 L54 F77E46-L50 PolarHBondContact O-N 3.4Å; L50-M52 PolarHBondContact O-N 3.49Å; L50-M52 VanDerWaalsContact O-N 3.13Å; L50-L53 PolarHBondContact O-N 2.79Å; L50-L54 HydrophobicContact CD1-CD1 4.13Å; L50-L54 HydrophobicContact CD1-CG 4.26Å; L50-L54 HydrophobicContact CG-CD1 4.01Å; L50-L54 WeakPolarHBondContact O-CB 3.47Å; L50-L54 WeakPolarHBondContact O-CG 3.37Å; L50-L54 PolarHBondContact O-N 2.92Å; L50-F77 HydrophobicContact CB-CZ 4.04Å; L50-F77 HydrophobicContact CD1-CE1 4.47Å; L50-F77 HydrophobicContact CD1-CZ 4.46Å
51K94.4Very high91.7Very high117 Ų11780.1 Ų80.151%0.50940%0.398SS..Hα-helixtrans-62.7-15.1174.2-78.1176.9166.9171.60114.5H47 K48 W49H47-K51 VanDerWaalsContact NE2-CE 3.3Å; H47-K51 WeakPolarHBondContact NE2-CE 3.4Å; H47-K51 PolarHBondContact NE2-NZ 2.9Å; H47-K51 WeakPolarHBondContact O-CG 3.44Å; H47-K51 PolarHBondContact O-N 3.02Å; H47-K51 VanDerWaalsContact O-N 3.17Å; K48-K51 PolarHBondContact O-N 3.47Å; W49-K51 PolarHBondContact O-N 2.82Å
52M95.2Very high92.3Very high0 Ų078.9 Ų78.90%039%0.386CS..Hα-helixtrans-93.6-40.4173.6-75.5174.946.900112.5K48 W49 L50 R55 W56 Y59 L65K48-M52 HydrophobicContact CG-SD 4.43Å; K48-M52 WeakPolarHBondContact O-CG 3.41Å; K48-M52 PolarHBondContact O-N 3.12Å; K48-M52 VanDerWaalsContact O-N 3.16Å; W49-M52 HydrophobicContact CE3-CE 4.4Å; W49-M52 HydrophobicContact CZ3-CE 4.25Å; W49-M52 CarbonylContact O-C 3.6Å; W49-M52 WeakPolarHBondContact O-CA 3.46Å; W49-M52 WeakPolarHBondContact O-CB 3.19Å; W49-M52 PolarHBondContact O-N 2.66Å; L50-M52 PolarHBondContact O-N 3.49Å; L50-M52 VanDerWaalsContact O-N 3.13Å; M52-R55 CarbonylContact O-C 3.5Å; M52-R55 VanDerWaalsContact O-C 3.25Å; M52-R55 PolarHBondContact O-N 2.93Å; M52-W56 WeakPolarHBondContact O-CA 3.49Å; M52-W56 PolarHBondContact O-N 2.88Å; M52-W56 VanDerWaalsContact O-N 3.09Å; M52-Y59 HydrophobicContact CB-CD2 3.93Å; M52-Y59 HydrophobicContact CB-CE2 4.15Å; M52-Y59 HydrophobicContact CG-CD2 3.82Å; M52-Y59 HydrophobicContact CG-CE2 3.72Å; M52-Y59 HydrophobicContact CG-CG 4.26Å; M52-L65 HydrophobicContact CE-CB 4.37Å; M52-L65 HydrophobicContact CE-CD1 3.76Å
53L95Very high93Very high13 Ų1381.6 Ų81.67%0.06841%0.407CS..Hα-helixtrans-65.5-40.3176.2-72.7168.6000112.2W49 L50 R55 W56 F77 E80 V81 R84W49-L53 PolarHBondContact O-N 3.25Å; L50-L53 PolarHBondContact O-N 2.79Å; L53-R55 PolarHBondContact O-N 2.86Å; L53-R55 VanDerWaalsContact O-N 3.15Å; L53-W56 HydrophobicContact CD2-CE3 4Å; L53-W56 HydrophobicContact CD2-CZ3 4.22Å; L53-W56 PolarHBondContact O-N 2.87Å; L53-F77 HydrophobicContact CD1-CB 4.05Å; L53-F77 HydrophobicContact CD1-CD1 3.59Å; L53-F77 HydrophobicContact CD1-CE1 4.22Å; L53-F77 HydrophobicContact CD1-CG 3.91Å; L53-E80 HydrophobicContact CD2-CG 4.06Å; L53-V81 HydrophobicContact CD1-CG2 4.41Å; L53-V81 HydrophobicContact CD2-CG2 3.9Å; L53-V81 HydrophobicContact CG-CG2 4.47Å; L53-R84 PolarHBondContact O-NH1 3.21Å
54L94.9Very high93.4Very high132 Ų13283.3 Ų83.369%0.69141%0.408SS*.THydrogen-bonded Turntrans-65.3-11.8174.2-69172.1000114L50L50-L54 HydrophobicContact CD1-CD1 4.13Å; L50-L54 HydrophobicContact CD1-CG 4.26Å; L50-L54 HydrophobicContact CG-CD1 4.01Å; L50-L54 WeakPolarHBondContact O-CB 3.47Å; L50-L54 WeakPolarHBondContact O-CG 3.37Å; L50-L54 PolarHBondContact O-N 2.92Å
55R95.2Very high93.8Very high171 Ų17174.3 Ų74.365%0.64537%0.374SS*.THydrogen-bonded Turntrans-137.138.6-180-62.2-172.7-179.5-171.9-1111.2M52 L53 S57 K58 Y59M52-R55 CarbonylContact O-C 3.5Å; M52-R55 VanDerWaalsContact O-C 3.25Å; M52-R55 PolarHBondContact O-N 2.93Å; L53-R55 PolarHBondContact O-N 2.86Å; L53-R55 VanDerWaalsContact O-N 3.15Å; R55-S57 PolarHBondContact O-N 3.45Å; R55-K58 WeakPolarHBondContact O-CB 3.25Å; R55-K58 PolarHBondContact O-N 3Å; R55-K58 VanDerWaalsContact O-N 3.11Å; R55-Y59 HydrophobicContact CB-CD2 4.35Å; R55-Y59 HydrophobicContact CB-CE2 4.06Å; R55-Y59 VanDerWaalsContact O-CD2 3.28Å; R55-Y59 WeakPolarHBondContact O-CD2 3.31Å
56W94.5Very high94.1Very high21 Ų2174 Ų748%0.0838%0.375CS..G310 helixtrans-59.7-41-167.4177.2-92.5000114.2M52 L53 K58 Y59 Q60 L65 R84 L85M52-W56 WeakPolarHBondContact O-CA 3.49Å; M52-W56 PolarHBondContact O-N 2.88Å; M52-W56 VanDerWaalsContact O-N 3.09Å; L53-W56 HydrophobicContact CD2-CE3 4Å; L53-W56 HydrophobicContact CD2-CZ3 4.22Å; L53-W56 PolarHBondContact O-N 2.87Å; W56-K58 PolarHBondContact O-N 3.1Å; W56-Y59 CarbonylContact O-C 3.53Å; W56-Y59 WeakPolarHBondContact O-CA 3.42Å; W56-Y59 PolarHBondContact O-N 2.89Å; W56-Q60 VanDerWaalsContact NE1-OE1 3.14Å; W56-Q60 PolarHBondContact O-N 3.21Å; W56-L65 HydrophobicContact CH2-CD1 4.02Å; W56-L65 HydrophobicContact CH2-CD2 3.73Å; W56-L65 HydrophobicContact CZ2-CD2 4Å; W56-L65 HydrophobicContact CZ3-CD1 3.76Å; W56-L65 HydrophobicContact CZ3-CD2 4.09Å; W56-R84 HydrophobicContact CD2-CB 4.09Å; W56-R84 VanDerWaalsContact CE2-CB 3.46Å; W56-R84 HydrophobicContact CH2-CB 3.99Å; W56-R84 HydrophobicContact CZ2-CB 3.43Å; W56-R84 VanDerWaalsContact CZ2-CB 3.43Å; W56-L85 HydrophobicContact CH2-CD2 4.17Å; W56-L85 HydrophobicContact CH2-CG 4.19Å; W56-L85 HydrophobicContact CZ2-CD2 4.37Å
57S93.4Very high94.2Very high107 Ų10780.1 Ų80.175%0.74840%0.397SS*.G310 helixtrans-54.4-34.8176.150.20000113.1R55 Y59R55-S57 PolarHBondContact O-N 3.45Å; S57-Y59 VanDerWaalsContact C-N 3.29Å; S57-Y59 PolarHBondContact O-N 3.2Å
58K94.4Very high94.4Very high163 Ų16375.1 Ų75.171%0.70937%0.374SS*.G310 helixtrans-74.4-15.1174.8-178.5161.2-175.71560113.9R55 W56R55-K58 WeakPolarHBondContact O-CB 3.25Å; R55-K58 PolarHBondContact O-N 3Å; R55-K58 VanDerWaalsContact O-N 3.11Å; W56-K58 PolarHBondContact O-N 3.1Å
59Y93.4Very high94.5Very high31 Ų3171.3 Ų71.312%0.12236%0.358CS..THydrogen-bonded Turntrans-115.1-17.8-176.9-66-60.2000114.5M52 R55 W56 S57 S62 R64 L65M52-Y59 HydrophobicContact CB-CD2 3.93Å; M52-Y59 HydrophobicContact CB-CE2 4.15Å; M52-Y59 HydrophobicContact CG-CD2 3.82Å; M52-Y59 HydrophobicContact CG-CE2 3.72Å; M52-Y59 HydrophobicContact CG-CG 4.26Å; R55-Y59 HydrophobicContact CB-CD2 4.35Å; R55-Y59 HydrophobicContact CB-CE2 4.06Å; R55-Y59 VanDerWaalsContact O-CD2 3.28Å; R55-Y59 WeakPolarHBondContact O-CD2 3.31Å; W56-Y59 CarbonylContact O-C 3.53Å; W56-Y59 WeakPolarHBondContact O-CA 3.42Å; W56-Y59 PolarHBondContact O-N 2.89Å; S57-Y59 VanDerWaalsContact C-N 3.29Å; S57-Y59 PolarHBondContact O-N 3.2Å; Y59-S62 WeakPolarHBondContact O-CB 3.49Å; Y59-S62 PolarHBondContact O-N 3.38Å; Y59-S62 PolarHBondContact O-OG 3.35Å; Y59-R64 HydrophobicContact CD1-CG 4.24Å; Y59-R64 HydrophobicContact CE1-CG 4.18Å; Y59-R64 VanDerWaalsContact CE1-NE 3.34Å; Y59-R64 PolarHBondContact OH-NH2 2.97Å; Y59-L65 WeakPolarHBondContact O-CB 3.48Å; Y59-L65 WeakPolarHBondContact O-CD2 3.35Å
60Q91.8Very high94.4Very high112 Ų11271.8 Ų71.852%0.52336%0.36SS..THydrogen-bonded Turntrans-53.8137.4172.8-169.8164.7-12.300110.3W56 S62W56-Q60 VanDerWaalsContact NE1-OE1 3.14Å; W56-Q60 PolarHBondContact O-N 3.21Å; Q60-S62 PolarHBondContact O-N 3.43Å
61G90.2Very high94.3Very high82 Ų8275 Ų7585%0.84537%0.37SS*.THydrogen-bonded Turntrans65.8-17.4-17100000116.5
62S94.7Very high94.2Very high24 Ų2469.4 Ų69.417%0.16835%0.346CS..  trans-69.7146.6-167.977.50000114Y59 Q60 R64 L65 K66Y59-S62 WeakPolarHBondContact O-CB 3.49Å; Y59-S62 PolarHBondContact O-N 3.38Å; Y59-S62 PolarHBondContact O-OG 3.35Å; Q60-S62 PolarHBondContact O-N 3.43Å; S62-R64 PolarHBondContact O-N 3.46Å; S62-R64 PolarHBondContact OG-N 3.33Å; S62-L65 PolarHBondContact O-N 3.34Å; S62-L65 PolarHBondContact OG-N 3.47Å; S62-L65 VanDerWaalsContact OG-N 3.09Å; S62-K66 PolarHBondContact O-N 2.98Å
63P94.8Very high94Very high95 Ų9569.8 Ų69.862%0.61735%0.348SS*.Hα-helixtrans-59.9-11169.3-25.234.7000114.5R67P63-R67 WeakPolarHBondContact O-CB 3.04Å; P63-R67 VanDerWaalsContact O-CG 3.25Å; P63-R67 WeakPolarHBondContact O-CG 3.39Å; P63-R67 PolarHBondContact O-N 3.24Å; P63-R67 PolarHBondContact O-NE 2.86Å
64R94.5Very high93.8Very high116 Ų11669.4 Ų69.444%0.43835%0.347SS..Hα-helixtrans-86.8-34.1174.8175.6164.7162.3159.7-2.9112.4Y59 S62 S68Y59-R64 HydrophobicContact CD1-CG 4.24Å; Y59-R64 HydrophobicContact CE1-CG 4.18Å; Y59-R64 VanDerWaalsContact CE1-NE 3.34Å; Y59-R64 PolarHBondContact OH-NH2 2.97Å; S62-R64 PolarHBondContact O-N 3.46Å; S62-R64 PolarHBondContact OG-N 3.33Å; R64-S68 WeakPolarHBondContact O-CB 3.43Å; R64-S68 PolarHBondContact O-N 3.13Å; R64-S68 PolarHBondContact O-OG 3.25Å
65L95.6Very high93.2Very high4 Ų465 Ų652%0.02132%0.323CS..Hα-helixtrans-66.8-52.1169.8177.859.1000110.1W49 M52 W56 Y59 S62 R67 S68 I69W49-L65 HydrophobicContact CH2-CD1 4.09Å; W49-L65 HydrophobicContact CZ3-CD1 3.98Å; M52-L65 HydrophobicContact CE-CB 4.37Å; M52-L65 HydrophobicContact CE-CD1 3.76Å; W56-L65 HydrophobicContact CH2-CD1 4.02Å; W56-L65 HydrophobicContact CH2-CD2 3.73Å; W56-L65 HydrophobicContact CZ2-CD2 4Å; W56-L65 HydrophobicContact CZ3-CD1 3.76Å; W56-L65 HydrophobicContact CZ3-CD2 4.09Å; Y59-L65 WeakPolarHBondContact O-CB 3.48Å; Y59-L65 WeakPolarHBondContact O-CD2 3.35Å; S62-L65 PolarHBondContact O-N 3.34Å; S62-L65 PolarHBondContact OG-N 3.47Å; S62-L65 VanDerWaalsContact OG-N 3.09Å; L65-R67 PolarHBondContact O-N 3.32Å; L65-S68 CarbonylContact O-C 3.23Å; L65-S68 WeakPolarHBondContact O-CA 3.35Å; L65-S68 WeakPolarHBondContact O-CB 3.38Å; L65-S68 PolarHBondContact O-N 3.43Å; L65-I69 HydrophobicContact CD1-CD1 3.87Å; L65-I69 HydrophobicContact CD1-CG1 4.19Å; L65-I69 HydrophobicContact CG-CD1 3.83Å; L65-I69 PolarHBondContact O-N 3.08Å
66K95.5Very high92.6Very high78 Ų7862.6 Ų62.634%0.33932%0.317SS..Hα-helixtrans-51.3-50.8175.2-176.7155.9179.5140.90112.8S62 S68 I69 Y70 L267 E268S62-K66 PolarHBondContact O-N 2.98Å; K66-S68 PolarHBondContact O-N 2.96Å; K66-I69 PolarHBondContact O-N 2.97Å; K66-Y70 HydrophobicContact CG-CD2 4.25Å; K66-Y70 HydrophobicContact CG-CE2 4.18Å; K66-Y70 WeakPolarHBondContact O-CD2 3.49Å; K66-Y70 PolarHBondContact O-N 3.13Å; K66-L267 HydrophobicContact CB-CD2 4.09Å; K66-L267 HydrophobicContact CD-CD2 4.44Å; K66-L267 HydrophobicContact CG-CD2 3.91Å; K66-E268 WeakPolarHBondContact CE-OE1 3.05Å; K66-E268 IonicContact NZ-OE1 2.88Å; K66-E268 PolarHBondContact NZ-OE1 3.46Å; K66-E268 IonicContact NZ-OE2 2.63Å; K66-E268 PolarHBondContact NZ-OE2 3.37Å
67R95.1Very high92.4Very high150 Ų15063 Ų6357%0.56632%0.319SS*.Hα-helixtrans-64.5-19.1174.6-77.4-176.1-66.3167.7-4.3114.9P63 L65 K71P63-R67 WeakPolarHBondContact O-CB 3.04Å; P63-R67 VanDerWaalsContact O-CG 3.25Å; P63-R67 WeakPolarHBondContact O-CG 3.39Å; P63-R67 PolarHBondContact O-N 3.24Å; P63-R67 PolarHBondContact O-NE 2.86Å; L65-R67 PolarHBondContact O-N 3.32Å; R67-K71 WeakPolarHBondContact O-CG 3.38Å
68S95.2Very high92.2Very high1 Ų158.3 Ų58.31%0.00729%0.285CS..Hα-helixtrans-87.2-38.4175.7-55.80000111.5K48 R64 L65 K66 K71 G72K48-S68 PolarHBondContact NZ-OG 2.95Å; R64-S68 WeakPolarHBondContact O-CB 3.43Å; R64-S68 PolarHBondContact O-N 3.13Å; R64-S68 PolarHBondContact O-OG 3.25Å; L65-S68 CarbonylContact O-C 3.23Å; L65-S68 WeakPolarHBondContact O-CA 3.35Å; L65-S68 WeakPolarHBondContact O-CB 3.38Å; L65-S68 PolarHBondContact O-N 3.43Å; K66-S68 PolarHBondContact O-N 2.96Å; S68-K71 CarbonylContact O-C 3.55Å; S68-K71 WeakPolarHBondContact O-CA 3.36Å; S68-K71 PolarHBondContact O-N 3.33Å; S68-K71 VanDerWaalsContact O-N 3.11Å; S68-G72 PolarHBondContact O-N 2.82Å
69I95.5Very high91.8Very high0 Ų051.9 Ų51.90%026%0.263CS..Hα-helixtrans-60.7-49172.5-71.1170000110.8W49 L65 K66 K71 G72 L85 D263 I264 L267W49-I69 HydrophobicContact CH2-CG1 3.69Å; W49-I69 HydrophobicContact CZ2-CG1 4.27Å; L65-I69 HydrophobicContact CD1-CD1 3.87Å; L65-I69 HydrophobicContact CD1-CG1 4.19Å; L65-I69 HydrophobicContact CG-CD1 3.83Å; L65-I69 PolarHBondContact O-N 3.08Å; K66-I69 PolarHBondContact O-N 2.97Å; I69-K71 PolarHBondContact O-N 2.87Å; I69-G72 WeakPolarHBondContact O-CA 3.46Å; I69-G72 PolarHBondContact O-N 3.31Å; I69-L85 HydrophobicContact CD1-CD1 3.93Å; I69-L85 HydrophobicContact CD1-CD2 3.95Å; I69-D263 HydrophobicContact CG2-CB 4.33Å; I69-D263 WeakPolarHBondContact CG2-O 3.17Å; I69-I264 HydrophobicContact CG2-CG1 4.15Å; I69-L267 HydrophobicContact CB-CD2 4.05Å; I69-L267 HydrophobicContact CD1-CB 4.24Å; I69-L267 HydrophobicContact CD1-CD1 3.86Å; I69-L267 HydrophobicContact CD1-CD2 3.76Å; I69-L267 HydrophobicContact CD1-CG 4.16Å; I69-L267 HydrophobicContact CG1-CD2 4.49Å; I69-L267 HydrophobicContact CG2-CB 4.33Å; I69-L267 HydrophobicContact CG2-CD2 3.89Å
70Y95Very high91.7Very high14 Ų1452.7 Ų52.76%0.05527%0.268CS..THydrogen-bonded Turntrans-62.5-25.3174-84.4-105.2000113.1K66 G72 R260 I264 L267 E268 I316 R320 I323K66-Y70 HydrophobicContact CG-CD2 4.25Å; K66-Y70 HydrophobicContact CG-CE2 4.18Å; K66-Y70 WeakPolarHBondContact O-CD2 3.49Å; K66-Y70 PolarHBondContact O-N 3.13Å; Y70-G72 VanDerWaalsContact C-N 3.34Å; Y70-R260 PolarHBondContact O-NH2 3.28Å; Y70-I264 HydrophobicContact CD1-CD1 3.9Å; Y70-I264 HydrophobicContact CD1-CG1 4.46Å; Y70-I264 HydrophobicContact CD2-CG1 4.27Å; Y70-I264 HydrophobicContact CD2-CG2 4.47Å; Y70-I264 HydrophobicContact CE1-CD1 4.1Å; Y70-I264 HydrophobicContact CE1-CG2 4.14Å; Y70-I264 HydrophobicContact CE2-CG1 4.4Å; Y70-I264 HydrophobicContact CE2-CG2 3.79Å; Y70-I264 HydrophobicContact CG-CD1 4.18Å; Y70-I264 HydrophobicContact CG-CG1 4.33Å; Y70-L267 HydrophobicContact CE2-CD2 4.29Å; Y70-E268 HydrophobicContact CE2-CG 4.32Å; Y70-E268 WeakPolarHBondContact OH-CG 3.33Å; Y70-I316 HydrophobicContact CD1-CG2 3.99Å; Y70-I316 WeakPolarHBondContact O-CG2 3.37Å; Y70-R320 HydrophobicContact CD1-CB 3.81Å; Y70-R320 HydrophobicContact CD1-CG 4.02Å; Y70-R320 HydrophobicContact CE1-CB 3.7Å; Y70-R320 HydrophobicContact CE1-CG 3.92Å; Y70-I323 HydrophobicContact CE1-CD1 4.37Å; Y70-I323 VanDerWaalsContact OH-CD1 3.23Å; Y70-I323 WeakPolarHBondContact OH-CD1 3.28Å
71K92.7Very high91.7Very high143 Ų14347.4 Ų47.462%0.62224%0.243SC*.THydrogen-bonded Turntrans-84.2-3.4169.9-73.9-170176.6-1570113.9R45 R67 S68 I69R45-K71 PolarHBondContact NH1-O 2.88Å; R67-K71 WeakPolarHBondContact O-CG 3.38Å; S68-K71 CarbonylContact O-C 3.55Å; S68-K71 WeakPolarHBondContact O-CA 3.36Å; S68-K71 PolarHBondContact O-N 3.33Å; S68-K71 VanDerWaalsContact O-N 3.11Å; I69-K71 PolarHBondContact O-N 2.87Å
72G91.7Very high91.8Very high1 Ų143.5 Ų43.51%0.0120%0.202CC..  trans96.2138.3172.500000115.5W49 S68 I69 Y70 R260W49-G72 PolarHBondContact NE1-O 2.89Å; S68-G72 PolarHBondContact O-N 2.82Å; I69-G72 WeakPolarHBondContact O-CA 3.46Å; I69-G72 PolarHBondContact O-N 3.31Å; Y70-G72 VanDerWaalsContact C-N 3.34Å; G72-R260 VanDerWaalsContact CA-CD 3.49Å
73V91.5Very high91.7Very high7 Ų745.6 Ų45.64%0.04221%0.207CC..  trans-85.3127.9172.3-168.50000109.3W49 F77 R78 V81 D263W49-V73 HydrophobicContact CH2-CG2 3.88Å; W49-V73 HydrophobicContact CZ2-CB 4.33Å; W49-V73 HydrophobicContact CZ2-CG2 3.72Å; V73-F77 HydrophobicContact CG1-CB 4.07Å; V73-R78 HydrophobicContact CG1-CB 4.42Å; V73-R78 PolarHBondContact O-NH2 2.69Å; V73-V81 HydrophobicContact CG1-CB 4.07Å; V73-V81 HydrophobicContact CG1-CG1 4.44Å; V73-V81 HydrophobicContact CG1-CG2 3.82Å; V73-V81 HydrophobicContact CG2-CB 4.46Å; V73-V81 HydrophobicContact CG2-CG1 3.95Å; V73-D263 WeakPolarHBondContact CB-OD2 3.2Å; V73-D263 HydrophobicContact CG2-CB 4.13Å; V73-D263 PolarHBondContact N-OD2 3.41Å
74P90.3Very high91.7Very high5 Ų544.5 Ų44.53%0.03219%0.19CC..  trans-61.8145.7169.8-22.132.6000111.3R45 E46 W49 K76 F77 R78R45-P74 HydrophobicContact CG-CG 4.17Å; E46-P74 HydrophobicContact CG-CB 3.63Å; E46-P74 HydrophobicContact CG-CG 3.75Å; W49-P74 HydrophobicContact CG-CG 4.31Å; P74-K76 VanDerWaalsContact C-N 3.34Å; P74-K76 PolarHBondContact O-N 3.46Å; P74-F77 HydrophobicContact CB-CD2 4.15Å; P74-F77 HydrophobicContact CG-CD2 4.17Å; P74-F77 PolarHBondContact O-N 3.14Å; P74-R78 PolarHBondContact O-N 2.96Å
75Q82Confident91.6Very high41 Ų4140.8 Ų40.819%0.19218%0.179CC..G310 helixtrans-49.2-51.5-170.5-163.967.315.300112.9F77 R78 C381Q75-F77 PolarHBondContact O-N 3Å; Q75-R78 WeakPolarHBondContact O-CB 3.41Å; Q75-R78 PolarHBondContact O-N 2.97Å; Q75-R78 VanDerWaalsContact O-N 3.08Å; Q75-C381 HydrophobicContact CG-CB 4.11Å; Q75-C381 PolarHBondContact NE2-O 3.27Å
76K83.1Confident91.4Very high119 Ų11940.8 Ų40.852%0.51718%0.179SC..G310 helixtrans-65.4-9-177.676-170.2-170.5-158.90116.1E46 P74E46-K76 VanDerWaalsContact OE1-CD 3.24Å; E46-K76 WeakPolarHBondContact OE1-CD 3.39Å; E46-K76 WeakPolarHBondContact OE1-CE 3.44Å; E46-K76 IonicContact OE1-NZ 3.05Å; E46-K76 PolarHBondContact OE1-NZ 3.41Å; E46-K76 IonicContact OE2-NZ 2.71Å; E46-K76 PolarHBondContact OE2-NZ 3.27Å; P74-K76 VanDerWaalsContact C-N 3.34Å; P74-K76 PolarHBondContact O-N 3.46Å
77F90.1Very high91.3Very high30 Ų3041.2 Ų41.213%0.13219%0.185CC..G310 helixtrans-111.1-4.9176.8-64.6-49000113.1E46 W49 L50 L53 V73 P74 Q75 A79 E80 V81E46-F77 HydrophobicContact CB-CE2 3.94Å; E46-F77 HydrophobicContact CG-CE2 4.29Å; E46-F77 WeakPolarHBondContact O-CE2 3.37Å; W49-F77 HydrophobicContact CB-CD2 3.73Å; W49-F77 HydrophobicContact CB-CE2 4.06Å; W49-F77 HydrophobicContact CB-CG 4.49Å; L50-F77 HydrophobicContact CB-CZ 4.04Å; L50-F77 HydrophobicContact CD1-CE1 4.47Å; L50-F77 HydrophobicContact CD1-CZ 4.46Å; L53-F77 HydrophobicContact CD1-CB 4.05Å; L53-F77 HydrophobicContact CD1-CD1 3.59Å; L53-F77 HydrophobicContact CD1-CE1 4.22Å; L53-F77 HydrophobicContact CD1-CG 3.91Å; V73-F77 HydrophobicContact CG1-CB 4.07Å; P74-F77 HydrophobicContact CB-CD2 4.15Å; P74-F77 HydrophobicContact CG-CD2 4.17Å; P74-F77 PolarHBondContact O-N 3.14Å; Q75-F77 PolarHBondContact O-N 3Å; F77-A79 PolarHBondContact O-N 2.99Å; F77-E80 PolarHBondContact O-N 3Å; F77-V81 HydrophobicContact CB-CG2 4.46Å; F77-V81 WeakPolarHBondContact O-CB 3.44Å; F77-V81 VanDerWaalsContact O-CG2 3.27Å; F77-V81 WeakPolarHBondContact O-CG2 3.42Å; F77-V81 PolarHBondContact O-N 2.84Å
78R88.6Confident91.2Very high8 Ų834.1 Ų34.13%0.0316%0.158CC..Hα-helixtrans-58.5-46.5-176.5-179.6160.1-80.4104.710.4112.3V73 P74 Q75 V81 W82 D263V73-R78 HydrophobicContact CG1-CB 4.42Å; V73-R78 PolarHBondContact O-NH2 2.69Å; P74-R78 PolarHBondContact O-N 2.96Å; Q75-R78 WeakPolarHBondContact O-CB 3.41Å; Q75-R78 PolarHBondContact O-N 2.97Å; Q75-R78 VanDerWaalsContact O-N 3.08Å; R78-V81 PolarHBondContact O-N 3.16Å; R78-W82 VanDerWaalsContact CD-CH2 3.47Å; R78-W82 HydrophobicContact CG-CD2 3.59Å; R78-W82 HydrophobicContact CG-CE3 3.83Å; R78-W82 HydrophobicContact CG-CG 4.24Å; R78-W82 HydrophobicContact CG-CH2 3.87Å; R78-W82 HydrophobicContact CG-CZ2 3.57Å; R78-W82 HydrophobicContact CG-CZ3 3.94Å; R78-W82 WeakPolarHBondContact O-CB 3.44Å; R78-W82 VanDerWaalsContact O-CG 3.22Å; R78-W82 PolarHBondContact O-N 3.14Å; R78-D263 IonicContact CZ-OD1 3.78Å; R78-D263 VanDerWaalsContact CZ-OD1 3.3Å; R78-D263 IonicContact CZ-OD2 3.39Å; R78-D263 IonicContact NE-OD1 2.79Å; R78-D263 PolarHBondContact NE-OD1 2.92Å; R78-D263 IonicContact NH2-OD1 2.94Å; R78-D263 PolarHBondContact NH2-OD1 3.24Å; R78-D263 IonicContact NH2-OD2 3.32Å; R78-D263 PolarHBondContact NH2-OD2 3.42Å
79A86.6Confident91Very high29 Ų2937.4 Ų37.424%0.2418%0.176CC..Hα-helixtrans-46.8-66172.800000112.4F77 V81 W82 R83 A170 F171F77-A79 PolarHBondContact O-N 2.99Å; A79-V81 VanDerWaalsContact C-N 3.33Å; A79-V81 PolarHBondContact O-N 3.08Å; A79-W82 PolarHBondContact O-N 3.33Å; A79-R83 WeakPolarHBondContact O-CB 3.42Å; A79-R83 PolarHBondContact O-N 2.98Å; A79-A170 HydrophobicContact CB-CB 3.95Å; A79-A170 WeakPolarHBondContact CB-O 3.35Å; A79-F171 WeakPolarHBondContact O-CE1 3.3Å
80E90.8Very high90.8Very high48 Ų4840.1 Ų40.122%0.22420%0.204CC..Hα-helixtrans-69.5-28.2-173.2-173.863.9-177.400113.1L53 F77 R83 R84L53-E80 HydrophobicContact CD2-CG 4.06Å; F77-E80 PolarHBondContact O-N 3Å; E80-R83 IonicContact OE1-NH1 2.71Å; E80-R83 PolarHBondContact OE1-NH1 2.82Å; E80-R83 WeakPolarHBondContact OE2-CD 3.5Å; E80-R83 IonicContact OE2-CZ 3.88Å; E80-R83 IonicContact OE2-NH1 2.63Å; E80-R83 PolarHBondContact OE2-NH1 2.59Å; E80-R84 VanDerWaalsContact O-CG 3.28Å; E80-R84 WeakPolarHBondContact O-CG 3.28Å; E80-R84 PolarHBondContact O-N 2.63Å; E80-R84 IonicContact OE1-CZ 3.81Å; E80-R84 IonicContact OE1-NE 3.97Å; E80-R84 PolarHBondContact OE1-NE 3.32Å; E80-R84 IonicContact OE1-NH2 3.96Å; E80-R84 PolarHBondContact OE1-NH2 2.91Å
81V92.8Very high90.5Very high0 Ų043 Ų430%022%0.218CC..Hα-helixtrans-69.2-48171.6171.70000110.6W49 L53 V73 F77 R78 A79 R83 R84 L85W49-V81 HydrophobicContact CE3-CG2 3.79Å; W49-V81 HydrophobicContact CH2-CG1 4.13Å; W49-V81 HydrophobicContact CH2-CG2 4.16Å; W49-V81 HydrophobicContact CZ3-CB 4.48Å; W49-V81 HydrophobicContact CZ3-CG1 4.09Å; W49-V81 HydrophobicContact CZ3-CG2 3.47Å; W49-V81 VanDerWaalsContact CZ3-CG2 3.47Å; L53-V81 HydrophobicContact CD1-CG2 4.41Å; L53-V81 HydrophobicContact CD2-CG2 3.9Å; L53-V81 HydrophobicContact CG-CG2 4.47Å; V73-V81 HydrophobicContact CG1-CB 4.07Å; V73-V81 HydrophobicContact CG1-CG1 4.44Å; V73-V81 HydrophobicContact CG1-CG2 3.82Å; V73-V81 HydrophobicContact CG2-CB 4.46Å; V73-V81 HydrophobicContact CG2-CG1 3.95Å; F77-V81 HydrophobicContact CB-CG2 4.46Å; F77-V81 WeakPolarHBondContact O-CB 3.44Å; F77-V81 VanDerWaalsContact O-CG2 3.27Å; F77-V81 WeakPolarHBondContact O-CG2 3.42Å; F77-V81 PolarHBondContact O-N 2.84Å; R78-V81 PolarHBondContact O-N 3.16Å; A79-V81 VanDerWaalsContact C-N 3.33Å; A79-V81 PolarHBondContact O-N 3.08Å; V81-R83 VanDerWaalsContact C-N 3.33Å; V81-R83 PolarHBondContact O-N 3.18Å; V81-R84 PolarHBondContact O-N 3.42Å; V81-L85 HydrophobicContact CG1-CD1 3.81Å; V81-L85 HydrophobicContact CG1-CG 4.3Å; V81-L85 WeakPolarHBondContact O-CB 3.47Å; V81-L85 VanDerWaalsContact O-CG 3.29Å; V81-L85 WeakPolarHBondContact O-CG 3.18Å; V81-L85 PolarHBondContact O-N 3.38Å
82W92.2Very high90.3Very high0 Ų039.1 Ų39.10%020%0.201CC..Hα-helixtrans-66.2-35.6178.5-66.6-1.5000111.7R78 A79 R84 L85 L86 V167 F171 W262 D263 M266R78-W82 VanDerWaalsContact CD-CH2 3.47Å; R78-W82 HydrophobicContact CG-CD2 3.59Å; R78-W82 HydrophobicContact CG-CE3 3.83Å; R78-W82 HydrophobicContact CG-CG 4.24Å; R78-W82 HydrophobicContact CG-CH2 3.87Å; R78-W82 HydrophobicContact CG-CZ2 3.57Å; R78-W82 HydrophobicContact CG-CZ3 3.94Å; R78-W82 WeakPolarHBondContact O-CB 3.44Å; R78-W82 VanDerWaalsContact O-CG 3.22Å; R78-W82 PolarHBondContact O-N 3.14Å; A79-W82 PolarHBondContact O-N 3.33Å; W82-R84 VanDerWaalsContact C-N 3.27Å; W82-R84 PolarHBondContact O-N 2.89Å; W82-L85 PolarHBondContact O-N 2.91Å; W82-L86 PolarHBondContact O-N 3.14Å; W82-V167 HydrophobicContact CE3-CG1 4.34Å; W82-V167 HydrophobicContact CH2-CG1 3.78Å; W82-V167 HydrophobicContact CZ3-CG1 3.42Å; W82-V167 VanDerWaalsContact CZ3-CG1 3.42Å; W82-V167 WeakPolarHBondContact CZ3-O 3.43Å; W82-F171 HydrophobicContact CB-CE1 4.33Å; W82-F171 HydrophobicContact CB-CE2 4.43Å; W82-F171 HydrophobicContact CB-CZ 3.6Å; W82-F171 HydrophobicContact CE3-CE2 4.4Å; W82-W262 HydrophobicContact CH2-CB 3.68Å; W82-W262 HydrophobicContact CH2-CG 4.28Å; W82-W262 HydrophobicContact CZ2-CB 3.47Å; W82-W262 VanDerWaalsContact CZ2-CB 3.47Å; W82-W262 HydrophobicContact CZ2-CG 4.5Å; W82-D263 PolarHBondContact NE1-OD1 3.1Å; W82-M266 HydrophobicContact CB-CG 4.38Å; W82-M266 HydrophobicContact CD2-CE 3.64Å; W82-M266 HydrophobicContact CD2-CG 4.06Å; W82-M266 HydrophobicContact CE3-CE 3.58Å; W82-M266 HydrophobicContact CG-CE 4.12Å; W82-M266 HydrophobicContact CG-CG 3.82Å; W82-M266 HydrophobicContact CH2-CE 4.28Å; W82-M266 HydrophobicContact CZ2-CE 4.38Å; W82-M266 HydrophobicContact CZ3-CE 3.93Å
83R91.9Very high90.1Very high69 Ų6943 Ų4326%0.2622%0.224SC..Hα-helixtrans-52.6-46173.8-169.4161.6156.7-123.20.2112.3A79 E80 V81 N87 I88 D89 F171 D175A79-R83 WeakPolarHBondContact O-CB 3.42Å; A79-R83 PolarHBondContact O-N 2.98Å; E80-R83 IonicContact OE1-NH1 2.71Å; E80-R83 PolarHBondContact OE1-NH1 2.82Å; E80-R83 WeakPolarHBondContact OE2-CD 3.5Å; E80-R83 IonicContact OE2-CZ 3.88Å; E80-R83 IonicContact OE2-NH1 2.63Å; E80-R83 PolarHBondContact OE2-NH1 2.59Å; V81-R83 VanDerWaalsContact C-N 3.33Å; V81-R83 PolarHBondContact O-N 3.18Å; R83-N87 PolarHBondContact O-N 3.44Å; R83-I88 HydrophobicContact CB-CD1 4.29Å; R83-I88 HydrophobicContact CG-CB 4.25Å; R83-I88 HydrophobicContact CG-CD1 4.17Å; R83-I88 HydrophobicContact CG-CG1 4.39Å; R83-I88 PolarHBondContact O-N 2.86Å; R83-D89 IonicContact CZ-OD1 3.12Å; R83-D89 IonicContact CZ-OD2 2.73Å; R83-D89 IonicContact NE-OD1 3.77Å; R83-D89 PolarHBondContact NE-OD1 3Å; R83-D89 IonicContact NE-OD2 2.69Å; R83-D89 PolarHBondContact NE-OD2 3.02Å; R83-D89 IonicContact NH2-OD1 2.69Å; R83-D89 PolarHBondContact NH2-OD1 3.11Å; R83-D89 IonicContact NH2-OD2 2.78Å; R83-D89 PolarHBondContact NH2-OD2 2.87Å; R83-F171 HydrophobicContact CB-CD1 4.49Å; R83-F171 HydrophobicContact CB-CE1 3.79Å; R83-D175 WeakPolarHBondContact CD-OD2 3.45Å; R83-D175 IonicContact NE-OD2 2.64Å
84R94.2Very high89.8Confident71 Ų7152.5 Ų52.527%0.26827%0.265SS..Hα-helixtrans-87-19.8-176.6-61.4174.2-175.7-153.27.4113.7L53 W56 E80 V81 W82L53-R84 PolarHBondContact O-NH1 3.21Å; W56-R84 HydrophobicContact CD2-CB 4.09Å; W56-R84 VanDerWaalsContact CE2-CB 3.46Å; W56-R84 HydrophobicContact CH2-CB 3.99Å; W56-R84 HydrophobicContact CZ2-CB 3.43Å; W56-R84 VanDerWaalsContact CZ2-CB 3.43Å; E80-R84 VanDerWaalsContact O-CG 3.28Å; E80-R84 WeakPolarHBondContact O-CG 3.28Å; E80-R84 PolarHBondContact O-N 2.63Å; E80-R84 IonicContact OE1-CZ 3.81Å; E80-R84 IonicContact OE1-NE 3.97Å; E80-R84 PolarHBondContact OE1-NE 3.32Å; E80-R84 IonicContact OE1-NH2 3.96Å; E80-R84 PolarHBondContact OE1-NH2 2.91Å; V81-R84 PolarHBondContact O-N 3.42Å; W82-R84 VanDerWaalsContact C-N 3.27Å; W82-R84 PolarHBondContact O-N 2.89Å
85L93.8Very high89.6Confident38 Ų3853.3 Ų53.320%0.19927%0.274CS..Hα-helixtrans-75.2-45.5170.9-76.1174.9000111.5W56 I69 V81 W82 N87 M266 L267W56-L85 HydrophobicContact CH2-CD2 4.17Å; W56-L85 HydrophobicContact CH2-CG 4.19Å; W56-L85 HydrophobicContact CZ2-CD2 4.37Å; I69-L85 HydrophobicContact CD1-CD1 3.93Å; I69-L85 HydrophobicContact CD1-CD2 3.95Å; V81-L85 HydrophobicContact CG1-CD1 3.81Å; V81-L85 HydrophobicContact CG1-CG 4.3Å; V81-L85 WeakPolarHBondContact O-CB 3.47Å; V81-L85 VanDerWaalsContact O-CG 3.29Å; V81-L85 WeakPolarHBondContact O-CG 3.18Å; V81-L85 PolarHBondContact O-N 3.38Å; W82-L85 PolarHBondContact O-N 2.91Å; L85-N87 PolarHBondContact O-N 3.48Å; L85-M266 HydrophobicContact CB-CB 4.16Å; L85-M266 WeakPolarHBondContact CB-O 3.28Å; L85-M266 HydrophobicContact CD1-CB 3.77Å; L85-L267 HydrophobicContact CD2-CD1 3.86Å
86L91.2Very high89.9Confident5 Ų552.1 Ų52.13%0.02627%0.27CS..THydrogen-bonded Turntrans-78.3-3.8175.7-61.6178.1000113.2W82 I88 Q91 A179 I182 L183 M266W82-L86 PolarHBondContact O-N 3.14Å; L86-I88 VanDerWaalsContact C-N 3.25Å; L86-I88 HydrophobicContact CB-CG1 3.87Å; L86-I88 PolarHBondContact O-N 2.81Å; L86-Q91 PolarHBondContact O-NE2 2.86Å; L86-A179 HydrophobicContact CD1-CB 3.68Å; L86-I182 HydrophobicContact CB-CD1 4.42Å; L86-I182 HydrophobicContact CB-CG2 4.2Å; L86-I182 HydrophobicContact CD2-CG2 4.21Å; L86-L183 HydrophobicContact CD1-CD1 4.35Å; L86-L183 HydrophobicContact CD1-CD2 4.44Å; L86-L183 HydrophobicContact CD1-CG 4.13Å; L86-L183 HydrophobicContact CD2-CD2 3.85Å; L86-L183 HydrophobicContact CD2-CG 4.24Å; L86-M266 HydrophobicContact CD1-CE 4.43Å; L86-M266 HydrophobicContact CD1-SD 4.06Å; L86-M266 HydrophobicContact CD2-SD 4.04Å; L86-M266 HydrophobicContact CG-SD 4.24Å
87N93.7Very high90.1Very high87 Ų8746.7 Ų46.747%0.46525%0.246SC..THydrogen-bonded Turntrans49.943.2-174.7-170.340.5000112.9R83 L85 D89 G90 Q91R83-N87 PolarHBondContact O-N 3.44Å; L85-N87 PolarHBondContact O-N 3.48Å; N87-D89 VanDerWaalsContact C-N 3.26Å; N87-D89 PolarHBondContact O-N 2.71Å; N87-G90 PolarHBondContact O-N 3.21Å; N87-Q91 PolarHBondContact O-N 3.4Å
88I91.4Very high90.1Very high0 Ų048.5 Ų48.50%026%0.257CS..Hα-helixtrans-55.8-43.5-170.6-54.2-178.5000110.9R83 L86 G90 Q91 K92 F171 W178 A179 I182R83-I88 HydrophobicContact CB-CD1 4.29Å; R83-I88 HydrophobicContact CG-CB 4.25Å; R83-I88 HydrophobicContact CG-CD1 4.17Å; R83-I88 HydrophobicContact CG-CG1 4.39Å; R83-I88 PolarHBondContact O-N 2.86Å; L86-I88 VanDerWaalsContact C-N 3.25Å; L86-I88 HydrophobicContact CB-CG1 3.87Å; L86-I88 PolarHBondContact O-N 2.81Å; I88-G90 VanDerWaalsContact C-N 3.27Å; I88-G90 PolarHBondContact O-N 3.45Å; I88-Q91 PolarHBondContact O-N 2.96Å; I88-K92 HydrophobicContact CG2-CD 4.41Å; I88-K92 HydrophobicContact CG2-CG 4.18Å; I88-K92 WeakPolarHBondContact O-CG 3.48Å; I88-K92 PolarHBondContact O-N 3.13Å; I88-F171 HydrophobicContact CD1-CD1 4.06Å; I88-F171 HydrophobicContact CD1-CE1 3.49Å; I88-F171 VanDerWaalsContact CD1-CE1 3.49Å; I88-F171 HydrophobicContact CD1-CE2 4.37Å; I88-F171 HydrophobicContact CD1-CZ 3.66Å; I88-W178 HydrophobicContact CG2-CB 3.58Å; I88-A179 HydrophobicContact CD1-CB 3.76Å; I88-A179 HydrophobicContact CG1-CB 4.48Å; I88-I182 HydrophobicContact CB-CD1 4.35Å; I88-I182 HydrophobicContact CG1-CD1 4.13Å; I88-I182 HydrophobicContact CG2-CD1 4.43Å
89D92Very high90.1Very high70 Ų7054.5 Ų54.537%0.37428%0.284SS..Hα-helixtrans-67.8-24.9-177.5-51-69.3000114R83 N87 Q91 K92R83-D89 IonicContact CZ-OD1 3.12Å; R83-D89 IonicContact CZ-OD2 2.73Å; R83-D89 IonicContact NE-OD1 3.77Å; R83-D89 PolarHBondContact NE-OD1 3Å; R83-D89 IonicContact NE-OD2 2.69Å; R83-D89 PolarHBondContact NE-OD2 3.02Å; R83-D89 IonicContact NH2-OD1 2.69Å; R83-D89 PolarHBondContact NH2-OD1 3.11Å; R83-D89 IonicContact NH2-OD2 2.78Å; R83-D89 PolarHBondContact NH2-OD2 2.87Å; N87-D89 VanDerWaalsContact C-N 3.26Å; N87-D89 PolarHBondContact O-N 2.71Å; D89-Q91 VanDerWaalsContact C-N 3.33Å; D89-K92 IonicContact OD1-NZ 3.72Å; D89-K92 PolarHBondContact OD1-NZ 3.47Å
90G91.3Very high90.1Very high57 Ų5753.1 Ų53.159%0.58827%0.272SS*.Hα-helixtrans-83.7-6172.700000114.3N87 I88N87-G90 PolarHBondContact O-N 3.21Å; I88-G90 VanDerWaalsContact C-N 3.27Å; I88-G90 PolarHBondContact O-N 3.45Å
91Q87.8Confident90Very high74 Ų7453.8 Ų53.835%0.34627%0.273SS..Hα-helixtrans-115.5-17.4179.2-61.2-167.475.200112.9L86 N87 I88 D89 V93 W178 I182L86-Q91 PolarHBondContact O-NE2 2.86Å; N87-Q91 PolarHBondContact O-N 3.4Å; I88-Q91 PolarHBondContact O-N 2.96Å; D89-Q91 VanDerWaalsContact C-N 3.33Å; Q91-V93 PolarHBondContact O-N 2.64Å; Q91-W178 WeakPolarHBondContact O-CZ3 3.3Å; Q91-I182 HydrophobicContact CB-CD1 4.02Å; Q91-I182 HydrophobicContact CB-CG1 4.3Å; Q91-I182 HydrophobicContact CG-CD1 4.4Å
92K88.6Confident89.8Confident62 Ų6258.5 Ų58.527%0.2730%0.297SS..  trans-59.1115.3173.8-83.8172.2-172.3163.70112.5I88 D89 D175 W178I88-K92 HydrophobicContact CG2-CD 4.41Å; I88-K92 HydrophobicContact CG2-CG 4.18Å; I88-K92 WeakPolarHBondContact O-CG 3.48Å; I88-K92 PolarHBondContact O-N 3.13Å; D89-K92 IonicContact OD1-NZ 3.72Å; D89-K92 PolarHBondContact OD1-NZ 3.47Å; K92-D175 WeakPolarHBondContact CE-OD1 3.48Å; K92-D175 WeakPolarHBondContact CE-OD2 3.25Å; K92-D175 IonicContact NZ-OD1 3.71Å; K92-D175 PolarHBondContact NZ-OD1 3.41Å; K92-D175 IonicContact NZ-OD2 3.57Å; K92-D175 PolarHBondContact NZ-OD2 2.64Å; K92-W178 HydrophobicContact CG-CB 4.44Å; K92-W178 HydrophobicContact CG-CD2 4.27Å; K92-W178 HydrophobicContact CG-CG 3.86Å
93V87.6Confident89.4Confident83 Ų8360.3 Ų60.350%0.50330%0.304SS..  trans-89.6122.6160.1-173.60000109.3Q91 T96 W178Q91-V93 PolarHBondContact O-N 2.64Å; V93-T96 WeakPolarHBondContact CB-OG1 3.44Å; V93-T96 VanDerWaalsContact CG1-OG1 3.28Å; V93-T96 WeakPolarHBondContact CG1-OG1 3.4Å; V93-T96 WeakPolarHBondContact O-CB 3.23Å; V93-T96 PolarHBondContact O-N 3.36Å; V93-W178 HydrophobicContact CB-CH2 3.94Å; V93-W178 HydrophobicContact CB-CZ2 4.01Å; V93-W178 HydrophobicContact CG2-CH2 3.97Å; V93-W178 WeakPolarHBondContact O-CZ2 3.32Å
94F86.6Confident89.1Confident207 Ų20757.1 Ų57.191%0.90829%0.293SS*.THydrogen-bonded Turntrans-63.6137.7-174.8-175.9-96.3000112.3T96F94-T96 PolarHBondContact O-N 2.99Å; F94-T96 VanDerWaalsContact O-N 3.07Å
95G86.5Confident88.7Confident21 Ų2161.1 Ų61.122%0.21631%0.308CS..THydrogen-bonded Turntrans71.7-12.7-179.400000116.1Y97 D98 K99G95-Y97 PolarHBondContact O-N 3.35Å; G95-D98 PolarHBondContact O-N 2.93Å; G95-K99 WeakPolarHBondContact O-CG 3.38Å; G95-K99 PolarHBondContact O-N 3.27Å
96T87.9Confident88.2Confident16 Ų1663.3 Ų63.310%0.09832%0.319CS..Hα-helixtrans-62.4-41.6-178.9-62.50000112.6V93 F94 D98 K99 L100 W178 V347 L351V93-T96 WeakPolarHBondContact CB-OG1 3.44Å; V93-T96 VanDerWaalsContact CG1-OG1 3.28Å; V93-T96 WeakPolarHBondContact CG1-OG1 3.4Å; V93-T96 WeakPolarHBondContact O-CB 3.23Å; V93-T96 PolarHBondContact O-N 3.36Å; F94-T96 PolarHBondContact O-N 2.99Å; F94-T96 VanDerWaalsContact O-N 3.07Å; T96-D98 PolarHBondContact O-N 2.89Å; T96-K99 PolarHBondContact O-N 3.46Å; T96-L100 HydrophobicContact CG2-CD1 3.93Å; T96-L100 WeakPolarHBondContact O-CB 3.36Å; T96-L100 WeakPolarHBondContact O-CG 3.42Å; T96-L100 PolarHBondContact O-N 3.19Å; T96-W178 HydrophobicContact CG2-CZ2 4.3Å; T96-V347 HydrophobicContact CG2-CG1 4.29Å; T96-L351 HydrophobicContact CG2-CD1 3.98Å
97Y87.8Confident87.7Confident5 Ų564.9 Ų64.92%0.0233%0.33CS..Hα-helixtrans-61.3-42.9174.4171.7-112.8000112G95 L100 R101 S147 Q173 F177G95-Y97 PolarHBondContact O-N 3.35Å; Y97-L100 PolarHBondContact O-N 2.89Å; Y97-R101 HydrophobicContact CE2-CB 4.45Å; Y97-R101 VanDerWaalsContact O-CB 3.24Å; Y97-R101 WeakPolarHBondContact O-CB 3.24Å; Y97-R101 PolarHBondContact O-N 3.14Å; Y97-S147 WeakPolarHBondContact CE2-OG 3.39Å; Y97-Q173 HydrophobicContact CE1-CB 3.75Å; Y97-Q173 PolarHBondContact OH-OE1 3.1Å; Y97-F177 HydrophobicContact CD2-CB 3.5Å; Y97-F177 AromaticContact CD2-CD1 3.83Å; Y97-F177 HydrophobicContact CD2-CD1 3.83Å; Y97-F177 AromaticContact CD2-CD2 3.92Å; Y97-F177 HydrophobicContact CD2-CD2 3.92Å; Y97-F177 AromaticContact CD2-CG 3.44Å; Y97-F177 HydrophobicContact CD2-CG 3.44Å; Y97-F177 VanDerWaalsContact CD2-CG 3.44Å; Y97-F177 HydrophobicContact CE2-CB 3.72Å; Y97-F177 HydrophobicContact CE2-CD2 4.3Å; Y97-F177 HydrophobicContact CE2-CG 4.03Å; Y97-F177 HydrophobicContact CG-CB 4.31Å; Y97-F177 HydrophobicContact CG-CD1 4.33Å; Y97-F177 HydrophobicContact CG-CG 4.32Å
98D88.8Confident87.1Confident69 Ų6961.3 Ų61.337%0.36931%0.313SS..Hα-helixtrans-64.9-40.9178.6-66.4-77.5000112.4G95 T96 R101 L102G95-D98 PolarHBondContact O-N 2.93Å; T96-D98 PolarHBondContact O-N 2.89Å; D98-R101 PolarHBondContact O-N 3.05Å; D98-R101 IonicContact OD1-CZ 2.91Å; D98-R101 IonicContact OD1-NH2 2.9Å; D98-R101 PolarHBondContact OD1-NH2 3.02Å; D98-L102 WeakPolarHBondContact O-CG 3.18Å; D98-L102 PolarHBondContact O-N 3.32Å
99K88.5Confident86.5Confident134 Ų13470.3 Ų70.358%0.58335%0.352SS*.Hα-helixtrans-60.9-48.3172.8-70.3178.8179.7-177.40111.7G95 T96 R101 L102 R103 L351G95-K99 WeakPolarHBondContact O-CG 3.38Å; G95-K99 PolarHBondContact O-N 3.27Å; T96-K99 PolarHBondContact O-N 3.46Å; K99-R101 PolarHBondContact O-N 3.44Å; K99-L102 PolarHBondContact O-N 3.1Å; K99-R103 WeakPolarHBondContact O-CB 3.33Å; K99-R103 PolarHBondContact O-N 3.26Å; K99-L351 HydrophobicContact CB-CD1 3.99Å; K99-L351 HydrophobicContact CB-CD2 4.04Å; K99-L351 HydrophobicContact CD-CD1 4.3Å
100L87.2Confident85.5Confident0 Ų068.1 Ų68.10%034%0.34CS..Hα-helixtrans-61.3-43.1176.7-73.9164.4000111.9T96 Y97 L102 R103 A104 V150 C151 F177 I350 L351T96-L100 HydrophobicContact CG2-CD1 3.93Å; T96-L100 WeakPolarHBondContact O-CB 3.36Å; T96-L100 WeakPolarHBondContact O-CG 3.42Å; T96-L100 PolarHBondContact O-N 3.19Å; Y97-L100 PolarHBondContact O-N 2.89Å; L100-L102 VanDerWaalsContact C-N 3.27Å; L100-L102 PolarHBondContact O-N 3.48Å; L100-R103 PolarHBondContact O-N 3.48Å; L100-A104 WeakPolarHBondContact O-CB 3.19Å; L100-A104 PolarHBondContact O-N 2.86Å; L100-V150 HydrophobicContact CD2-CG1 4.26Å; L100-C151 HydrophobicContact CD1-CB 3.82Å; L100-C151 HydrophobicContact CD2-CB 3.93Å; L100-F177 HydrophobicContact CD1-CE1 4.05Å; L100-F177 HydrophobicContact CD1-CE2 3.96Å; L100-F177 HydrophobicContact CD1-CZ 3.38Å; L100-I350 HydrophobicContact CD2-CG2 3.98Å; L100-L351 HydrophobicContact CD2-CD1 4.42Å; L100-L351 HydrophobicContact CD2-CD2 3.92Å; L100-L351 HydrophobicContact CD2-CG 4.17Å; L100-L351 HydrophobicContact CG-CD1 4.2Å; L100-L351 HydrophobicContact CG-CD2 4.2Å; L100-L351 HydrophobicContact CG-CG 4.45Å
101R87.9Confident84.9Confident61 Ų6167.2 Ų67.223%0.2332%0.323CS..Hα-helixtrans-64.4-29.8178-172.8-177.863.1-178.3-5.5112.8Y97 D98 K99 R105 Q143 S147Y97-R101 HydrophobicContact CE2-CB 4.45Å; Y97-R101 VanDerWaalsContact O-CB 3.24Å; Y97-R101 WeakPolarHBondContact O-CB 3.24Å; Y97-R101 PolarHBondContact O-N 3.14Å; D98-R101 PolarHBondContact O-N 3.05Å; D98-R101 IonicContact OD1-CZ 2.91Å; D98-R101 IonicContact OD1-NH2 2.9Å; D98-R101 PolarHBondContact OD1-NH2 3.02Å; K99-R101 PolarHBondContact O-N 3.44Å; R101-R105 WeakPolarHBondContact O-CG 3.2Å; R101-Q143 HydrophobicContact CG-CB 4.26Å; R101-Q143 HydrophobicContact CG-CG 4.41Å; R101-S147 VanDerWaalsContact CA-OG 3.25Å; R101-S147 WeakPolarHBondContact CA-OG 3.4Å; R101-S147 WeakPolarHBondContact CB-OG 3.34Å; R101-S147 PolarHBondContact N-OG 3.01Å
102L88.3Confident84.4Confident100 Ų10071.7 Ų71.752%0.52434%0.342SS..Hα-helixtrans-75.9-54.4171.1-70.4172000111.1D98 K99 L100 A104 R105D98-L102 WeakPolarHBondContact O-CG 3.18Å; D98-L102 PolarHBondContact O-N 3.32Å; K99-L102 PolarHBondContact O-N 3.1Å; L100-L102 VanDerWaalsContact C-N 3.27Å; L100-L102 PolarHBondContact O-N 3.48Å; L102-A104 PolarHBondContact O-N 3.12Å; L102-A104 VanDerWaalsContact O-N 3.17Å; L102-R105 WeakPolarHBondContact O-CB 3.34Å; L102-R105 PolarHBondContact O-N 2.92Å
103R84.8Confident83.4Confident38 Ų3870.1 Ų70.114%0.14334%0.335CS..Hα-helixtrans-50.5-42.2176.3-176.665.7155.2119.8-2.3111.4K99 L100 R105 L106 C107 V150 I350 L351 E353 F355K99-R103 WeakPolarHBondContact O-CB 3.33Å; K99-R103 PolarHBondContact O-N 3.26Å; L100-R103 PolarHBondContact O-N 3.48Å; R103-R105 PolarHBondContact O-N 3.01Å; R103-L106 WeakPolarHBondContact O-CB 3.2Å; R103-L106 PolarHBondContact O-N 3.39Å; R103-C107 PolarHBondContact O-N 3.47Å; R103-C107 PolarHBondContact O-SG 2.81Å; R103-V150 HydrophobicContact CB-CG1 4.34Å; R103-V150 HydrophobicContact CG-CG1 3.8Å; R103-I350 HydrophobicContact CG-CG1 4.45Å; R103-I350 PolarHBondContact NE-O 3.41Å; R103-L351 HydrophobicContact CB-CD2 4.48Å; R103-E353 IonicContact NH2-OE2 3.32Å; R103-E353 PolarHBondContact NH2-OE2 2.94Å; R103-F355 VanDerWaalsContact NH1-CD2 3.28Å
104A85.9Confident82.7Confident2 Ų266.2 Ų66.22%0.01731%0.311CS..Hα-helixtrans-71.9-22.3-178.900000115.4L100 L102 L106 A108 L146 V150L100-A104 WeakPolarHBondContact O-CB 3.19Å; L100-A104 PolarHBondContact O-N 2.86Å; L102-A104 PolarHBondContact O-N 3.12Å; L102-A104 VanDerWaalsContact O-N 3.17Å; A104-L106 PolarHBondContact O-N 2.96Å; A104-A108 HydrophobicContact CB-CB 4.19Å; A104-A108 WeakPolarHBondContact O-CB 3.33Å; A104-A108 PolarHBondContact O-N 3.37Å; A104-L146 VanDerWaalsContact CB-C 3.43Å; A104-L146 HydrophobicContact CB-CB 3.84Å; A104-L146 WeakPolarHBondContact CB-O 3.49Å; A104-V150 HydrophobicContact CB-CB 3.99Å; A104-V150 HydrophobicContact CB-CG1 4.46Å; A104-V150 HydrophobicContact CB-CG2 3.72Å
105R84.4Confident82.1Confident155 Ų15558.9 Ų58.959%0.58528%0.282SS*.Hα-helixtrans-66.6-26.2168.1-70.7171.2-177-156.40.4112R101 L102 R103R101-R105 WeakPolarHBondContact O-CG 3.2Å; L102-R105 WeakPolarHBondContact O-CB 3.34Å; L102-R105 PolarHBondContact O-N 2.92Å; R103-R105 PolarHBondContact O-N 3.01Å
106L83.6Confident81.4Confident83 Ų8362 Ų6244%0.43529%0.293SS..Hα-helixtrans-96.1-30.4-172.7-54.2174.4000112.9R103 A104 F355 C360R103-L106 WeakPolarHBondContact O-CB 3.2Å; R103-L106 PolarHBondContact O-N 3.39Å; A104-L106 PolarHBondContact O-N 2.96Å; L106-F355 HydrophobicContact CB-CE2 3.65Å; L106-F355 HydrophobicContact CB-CZ 3.68Å; L106-F355 HydrophobicContact CD1-CE2 3.77Å; L106-F355 HydrophobicContact CD1-CZ 3.98Å; L106-F355 HydrophobicContact CG-CE2 4.37Å; L106-F355 HydrophobicContact CG-CZ 4.41Å; L106-C360 HydrophobicContact CD2-CB 4.23Å; L106-C360 PolarHBondContact O-SG 3.39Å
107C81.9Confident80.3Confident39 Ų3961.3 Ų61.326%0.26429%0.289SS..Hα-helixtrans-136.35.8-171.671.70000117.2R103 K109R103-C107 PolarHBondContact O-N 3.47Å; R103-C107 PolarHBondContact O-SG 2.81Å; C107-K109 PolarHBondContact O-N 3.22Å
108A80.1Confident79.4Confident12 Ų1261.5 Ų61.510%0.09929%0.29CS..  trans-73.6101.2-178.300000112.6A104 D110 T111 L146 V150A104-A108 HydrophobicContact CB-CB 4.19Å; A104-A108 WeakPolarHBondContact O-CB 3.33Å; A104-A108 PolarHBondContact O-N 3.37Å; A108-D110 PolarHBondContact O-N 2.89Å; A108-T111 PolarHBondContact O-N 3.27Å; A108-T111 PolarHBondContact O-OG1 2.89Å; A108-L146 HydrophobicContact CB-CB 4.25Å; A108-L146 HydrophobicContact CB-CD2 3.55Å; A108-L146 HydrophobicContact CB-CG 4.47Å; A108-V150 HydrophobicContact CB-CG2 3.91Å
109K78.9Confident78.4Confident189 Ų18961.8 Ų61.882%0.82229%0.291SS*.THydrogen-bonded Turntrans-60.3-27.8-177.5-60.2177.3-176.7173.80113.1C107 T111C107-K109 PolarHBondContact O-N 3.22Å; K109-T111 VanDerWaalsContact C-N 3.33Å; K109-T111 PolarHBondContact O-N 3.17Å
110D72.4Confident77.2Confident23 Ų2357.4 Ų57.412%0.12327%0.271CS..THydrogen-bonded Turntrans-88.63.5-170.6-45.6-64.9000114.5A108 K112 Q113 I114 R158 Y162A108-D110 PolarHBondContact O-N 2.89Å; D110-K112 VanDerWaalsContact C-N 3.26Å; D110-K112 PolarHBondContact O-N 3.37Å; D110-K112 VanDerWaalsContact O-N 3.1Å; D110-Q113 PolarHBondContact O-N 3.24Å; D110-I114 HydrophobicContact CB-CD1 4.11Å; D110-I114 PolarHBondContact O-N 2.97Å; D110-R158 WeakPolarHBondContact OD1-CB 3.24Å; D110-R158 WeakPolarHBondContact OD1-CD 3.11Å; D110-R158 VanDerWaalsContact OD1-CG 3.26Å; D110-R158 WeakPolarHBondContact OD1-CG 3.4Å; D110-Y162 HydrophobicContact CB-CE2 3.81Å; D110-Y162 WeakPolarHBondContact CB-OH 3.37Å; D110-Y162 PolarHBondContact OD2-OH 3.38Å
111T78Confident75.9Confident39 Ų3957.9 Ų57.924%0.23927%0.274CS..Hα-helixtrans-45.5-46.2-175.4-65.20000113.5A108 K109 I114 D115 R142 L146A108-T111 PolarHBondContact O-N 3.27Å; A108-T111 PolarHBondContact O-OG1 2.89Å; K109-T111 VanDerWaalsContact C-N 3.33Å; K109-T111 PolarHBondContact O-N 3.17Å; T111-I114 PolarHBondContact O-N 2.71Å; T111-D115 PolarHBondContact O-N 3.05Å; T111-R142 VanDerWaalsContact CG2-NH1 3.33Å; T111-L146 WeakPolarHBondContact OG1-CD2 3.33Å
112K76.9Confident74.3Confident168 Ų16855.6 Ų55.673%0.7327%0.266SS*.Hα-helixtrans-66.9-35.8179.4-174.7173.1-178.7173.60113.1D110 L116D110-K112 VanDerWaalsContact C-N 3.26Å; D110-K112 PolarHBondContact O-N 3.37Å; D110-K112 VanDerWaalsContact O-N 3.1Å; K112-L116 WeakPolarHBondContact O-CB 3.19Å; K112-L116 VanDerWaalsContact O-CG 3.27Å; K112-L116 WeakPolarHBondContact O-CG 3.24Å; K112-L116 PolarHBondContact O-N 3.29Å; K112-L116 VanDerWaalsContact O-N 3.11Å
113Q67.8Low73.1Confident29 Ų2958.8 Ų58.814%0.13627%0.271CS..Hα-helixtrans-74.5-39.6178.5-17151.85700110.8D110 L116 D117 D159D110-Q113 PolarHBondContact O-N 3.24Å; Q113-L116 PolarHBondContact O-N 2.74Å; Q113-D117 PolarHBondContact NE2-OD1 3.06Å; Q113-D117 WeakPolarHBondContact O-CB 3.26Å; Q113-D117 PolarHBondContact O-N 2.92Å; Q113-D159 HydrophobicContact CG-CB 4.06Å
114I73.2Confident72.1Confident0 Ų061.4 Ų61.40%029%0.288CS..Hα-helixtrans-60-45.6173.2-72.4163.3000111.4D110 T111 L116 D117 I118 L145 L146 Y162D110-I114 HydrophobicContact CB-CD1 4.11Å; D110-I114 PolarHBondContact O-N 2.97Å; T111-I114 PolarHBondContact O-N 2.71Å; I114-L116 PolarHBondContact O-N 3Å; I114-D117 PolarHBondContact O-N 3.42Å; I114-I118 HydrophobicContact CG2-CD1 3.65Å; I114-I118 HydrophobicContact CG2-CG1 4.47Å; I114-I118 WeakPolarHBondContact O-CB 3.3Å; I114-I118 WeakPolarHBondContact O-CD1 3.32Å; I114-I118 VanDerWaalsContact O-CG1 3.25Å; I114-I118 WeakPolarHBondContact O-CG1 3.36Å; I114-I118 PolarHBondContact O-N 3.05Å; I114-L145 HydrophobicContact CD1-CB 4.06Å; I114-L145 HydrophobicContact CG1-CB 4.27Å; I114-L145 HydrophobicContact CG2-CB 3.96Å; I114-L145 HydrophobicContact CG2-CD1 3.88Å; I114-L146 HydrophobicContact CD1-CD2 3.61Å; I114-L146 HydrophobicContact CD1-CG 4.18Å; I114-Y162 HydrophobicContact CD1-CD1 4.39Å; I114-Y162 HydrophobicContact CD1-CD2 4.12Å; I114-Y162 HydrophobicContact CD1-CE1 4.29Å; I114-Y162 HydrophobicContact CD1-CE2 3.96Å; I114-Y162 HydrophobicContact CD1-CG 4.34Å; I114-Y162 HydrophobicContact CG1-CD1 4.31Å; I114-Y162 HydrophobicContact CG1-CD2 3.39Å; I114-Y162 HydrophobicContact CG1-CE2 3.64Å; I114-Y162 HydrophobicContact CG1-CG 3.77Å
115D73.7Confident71Confident54 Ų5461.3 Ų61.329%0.28929%0.287SS..Hα-helixtrans-65-39.1176.2-74.4-32.7000112.7T111 N119 R142T111-D115 PolarHBondContact O-N 3.05Å; D115-N119 WeakPolarHBondContact O-CB 3.42Å; D115-N119 PolarHBondContact O-N 3.49Å; D115-N119 VanDerWaalsContact O-N 3.11Å; D115-N119 PolarHBondContact O-ND2 3.06Å; D115-R142 IonicContact OD1-CZ 3.41Å; D115-R142 IonicContact OD1-NH1 2.73Å; D115-R142 PolarHBondContact OD1-NH1 2.98Å; D115-R142 IonicContact OD2-CZ 3.95Å; D115-R142 IonicContact OD2-NH1 3.18Å; D115-R142 PolarHBondContact OD2-NH1 2.97Å
116L71.3Confident70Confident85 Ų8554.3 Ų54.345%0.44526%0.261SS..Hα-helixtrans-61.4-47.6173.4-75.6170.8000110.6K112 Q113 I114 N119 R120K112-L116 WeakPolarHBondContact O-CB 3.19Å; K112-L116 VanDerWaalsContact O-CG 3.27Å; K112-L116 WeakPolarHBondContact O-CG 3.24Å; K112-L116 PolarHBondContact O-N 3.29Å; K112-L116 VanDerWaalsContact O-N 3.11Å; Q113-L116 PolarHBondContact O-N 2.74Å; I114-L116 PolarHBondContact O-N 3Å; L116-N119 PolarHBondContact O-N 2.94Å; L116-R120 VanDerWaalsContact O-CD 3.31Å; L116-R120 WeakPolarHBondContact O-CD 3.37Å; L116-R120 WeakPolarHBondContact O-CG 3.48Å; L116-R120 PolarHBondContact O-NE 2.84Å
117D66Low68.9Low3 Ų352.1 Ų52.12%0.01625%0.248CC..Hα-helixtrans-57.8-50.2178.4-70.6-8.4000112.1Q113 I114 N119 R120 T121Q113-D117 PolarHBondContact NE2-OD1 3.06Å; Q113-D117 WeakPolarHBondContact O-CB 3.26Å; Q113-D117 PolarHBondContact O-N 2.92Å; I114-D117 PolarHBondContact O-N 3.42Å; D117-N119 PolarHBondContact O-N 3.47Å; D117-R120 VanDerWaalsContact O-CG 3.28Å; D117-R120 WeakPolarHBondContact O-CG 3.01Å; D117-R120 PolarHBondContact O-N 3.05Å; D117-R120 IonicContact OD1-CZ 2.68Å; D117-R120 IonicContact OD1-NE 3.52Å; D117-R120 PolarHBondContact OD1-NE 3.46Å; D117-R120 IonicContact OD1-NH2 2.95Å; D117-R120 PolarHBondContact OD1-NH2 2.88Å; D117-T121 WeakPolarHBondContact O-CB 3.43Å; D117-T121 PolarHBondContact O-N 3.46Å; D117-T121 PolarHBondContact O-OG1 3.11Å
118I68.6Low67.8Low9 Ų950.4 Ų50.45%0.04624%0.236CC..Hα-helixtrans-61.7-42-179.9-68.7166.6000111.7I114 R120 T121 R138 I141 R142 L145I114-I118 HydrophobicContact CG2-CD1 3.65Å; I114-I118 HydrophobicContact CG2-CG1 4.47Å; I114-I118 WeakPolarHBondContact O-CB 3.3Å; I114-I118 WeakPolarHBondContact O-CD1 3.32Å; I114-I118 VanDerWaalsContact O-CG1 3.25Å; I114-I118 WeakPolarHBondContact O-CG1 3.36Å; I114-I118 PolarHBondContact O-N 3.05Å; I118-R120 PolarHBondContact O-N 2.95Å; I118-T121 WeakPolarHBondContact O-CB 3.14Å; I118-T121 PolarHBondContact O-N 2.93Å; I118-R138 HydrophobicContact CG2-CB 3.63Å; I118-R138 HydrophobicContact CG2-CG 3.47Å; I118-R138 VanDerWaalsContact CG2-CG 3.47Å; I118-I141 HydrophobicContact CD1-CB 3.99Å; I118-I141 HydrophobicContact CD1-CG2 4.21Å; I118-I141 HydrophobicContact CG1-CB 4.17Å; I118-I141 HydrophobicContact CG1-CG2 4.07Å; I118-I141 HydrophobicContact CG2-CD1 4.32Å; I118-R142 HydrophobicContact CD1-CB 3.7Å; I118-L145 HydrophobicContact CD1-CD1 4.2Å; I118-L145 HydrophobicContact CG1-CD1 4.32Å
119N67Low67.1Low74 Ų7457 Ų5740%0.39626%0.259SS..THydrogen-bonded Turntrans-75.6-4.5-174.5-76.9-57.8000115.4D115 L116 D117 R123 R138D115-N119 WeakPolarHBondContact O-CB 3.42Å; D115-N119 PolarHBondContact O-N 3.49Å; D115-N119 VanDerWaalsContact O-N 3.11Å; D115-N119 PolarHBondContact O-ND2 3.06Å; L116-N119 PolarHBondContact O-N 2.94Å; D117-N119 PolarHBondContact O-N 3.47Å; N119-R123 PolarHBondContact O-NE 2.99Å; N119-R123 VanDerWaalsContact O-NE 3.11Å; N119-R123 PolarHBondContact O-NH2 3.25Å; N119-R138 PolarHBondContact OD1-NH1 3.39Å
120R63.7Low66.4Low42 Ų4249.8 Ų49.816%0.15823%0.228CC..THydrogen-bonded Turntrans-110.5-10.9173.353.6-163.7-176.41657.8113.3L116 D117 I118 V387 H388 L389L116-R120 VanDerWaalsContact O-CD 3.31Å; L116-R120 WeakPolarHBondContact O-CD 3.37Å; L116-R120 WeakPolarHBondContact O-CG 3.48Å; L116-R120 PolarHBondContact O-NE 2.84Å; D117-R120 VanDerWaalsContact O-CG 3.28Å; D117-R120 WeakPolarHBondContact O-CG 3.01Å; D117-R120 PolarHBondContact O-N 3.05Å; D117-R120 IonicContact OD1-CZ 2.68Å; D117-R120 IonicContact OD1-NE 3.52Å; D117-R120 PolarHBondContact OD1-NE 3.46Å; D117-R120 IonicContact OD1-NH2 2.95Å; D117-R120 PolarHBondContact OD1-NH2 2.88Å; I118-R120 PolarHBondContact O-N 2.95Å; R120-V387 VanDerWaalsContact C-CG2 3.48Å; R120-V387 HydrophobicContact CB-CB 4.2Å; R120-V387 HydrophobicContact CB-CG2 3.8Å; R120-V387 HydrophobicContact CG-CB 3.61Å; R120-V387 HydrophobicContact CG-CG1 4.34Å; R120-V387 HydrophobicContact CG-CG2 3.58Å; R120-V387 VanDerWaalsContact O-CG2 3.24Å; R120-V387 WeakPolarHBondContact O-CG2 3.2Å; R120-H388 VanDerWaalsContact CZ-C 3.46Å; R120-H388 PolarHBondContact NH1-O 3.27Å; R120-L389 VanDerWaalsContact NH1-CD1 3.29Å; R120-L389 VanDerWaalsContact NH2-N 3.11Å
121T59.4Low66.1Low10 Ų1054 Ų546%0.06126%0.256CS..THydrogen-bonded Turntrans-71.7134.8179.8-69.50000111.6D117 I118 R123 F128 G386D117-T121 WeakPolarHBondContact O-CB 3.43Å; D117-T121 PolarHBondContact O-N 3.46Å; D117-T121 PolarHBondContact O-OG1 3.11Å; I118-T121 WeakPolarHBondContact O-CB 3.14Å; I118-T121 PolarHBondContact O-N 2.93Å; T121-R123 PolarHBondContact O-N 3.32Å; T121-R123 VanDerWaalsContact O-N 3.14Å; T121-F128 HydrophobicContact CG2-CD1 4.32Å; T121-F128 HydrophobicContact CG2-CE1 3.7Å; T121-F128 HydrophobicContact CG2-CZ 4.36Å; T121-F128 WeakPolarHBondContact O-CD1 3.07Å; T121-G386 PolarHBondContact OG1-O 3.24Å
122Y54.1Low65.5Low13 Ų1361 Ų615%0.05128%0.278CS..THydrogen-bonded Turntrans38.944.7179.4-29-33.6000117.7N124 H125 F128 A166 F169 C383 F384 F385Y122-N124 PolarHBondContact O-N 3.36Å; Y122-H125 WeakPolarHBondContact O-CB 3.16Å; Y122-H125 PolarHBondContact O-N 2.87Å; Y122-F128 AromaticContact CD2-CD1 3.92Å; Y122-F128 HydrophobicContact CD2-CD1 3.92Å; Y122-F128 AromaticContact CD2-CD2 3.62Å; Y122-F128 HydrophobicContact CD2-CD2 3.62Å; Y122-F128 AromaticContact CD2-CE1 3.67Å; Y122-F128 HydrophobicContact CD2-CE1 3.67Å; Y122-F128 AromaticContact CD2-CE2 3.36Å; Y122-F128 HydrophobicContact CD2-CE2 3.36Å; Y122-F128 AromaticContact CD2-CG 3.89Å; Y122-F128 HydrophobicContact CD2-CG 3.89Å; Y122-F128 AromaticContact CD2-CZ 3.38Å; Y122-F128 HydrophobicContact CD2-CZ 3.38Å; Y122-F128 HydrophobicContact CE2-CD2 4.42Å; Y122-F128 AromaticContact CE2-CE1 3.88Å; Y122-F128 HydrophobicContact CE2-CE1 3.88Å; Y122-F128 AromaticContact CE2-CE2 3.72Å; Y122-F128 HydrophobicContact CE2-CE2 3.72Å; Y122-F128 AromaticContact CE2-CZ 3.39Å; Y122-F128 HydrophobicContact CE2-CZ 3.39Å; Y122-F128 HydrophobicContact CG-CD1 4.42Å; Y122-F128 HydrophobicContact CG-CD2 4.46Å; Y122-F128 HydrophobicContact CG-CE1 4.48Å; Y122-F128 HydrophobicContact CG-CG 4.4Å; Y122-F128 WeakPolarHBondContact O-CB 3.31Å; Y122-A166 WeakPolarHBondContact OH-CB 3.12Å; Y122-F169 HydrophobicContact CE2-CE2 4.5Å; Y122-C383 HydrophobicContact CD2-CB 3.17Å; Y122-C383 VanDerWaalsContact CE2-C 3.45Å; Y122-C383 HydrophobicContact CE2-CB 3.71Å; Y122-C383 WeakPolarHBondContact CE2-O 3.28Å; Y122-C383 HydrophobicContact CG-CB 4.01Å; Y122-F384 VanDerWaalsContact CD1-C 3.45Å; Y122-F384 VanDerWaalsContact CE1-C 3.41Å; Y122-F384 VanDerWaalsContact CE1-CA 3.49Å; Y122-F385 VanDerWaalsContact CD1-N 3.27Å
123R64.3Low64.9Low167 Ų16757.1 Ų57.163%0.6326%0.26SS*.THydrogen-bonded Turntrans-54.8-19.8175.2-67.4-178.3173.4174.82.5114.9N119 T121N119-R123 PolarHBondContact O-NE 2.99Å; N119-R123 VanDerWaalsContact O-NE 3.11Å; N119-R123 PolarHBondContact O-NH2 3.25Å; T121-R123 PolarHBondContact O-N 3.32Å; T121-R123 VanDerWaalsContact O-N 3.14Å
124N62.8Low64.8Low93 Ų9356 Ų5650%0.49726%0.255SS..THydrogen-bonded Turntrans-96.310.3177-6111.7000113.9T28 Y122T28-N124 PolarHBondContact N-O 3.49Å; T28-N124 VanDerWaalsContact N-O 3.1Å; T28-N124 PolarHBondContact OG1-O 2.88Å; Y122-N124 PolarHBondContact O-N 3.36Å
125H62.3Low64.7Low1 Ų161.1 Ų61.11%0.00528%0.282CS..BIsolated β-bridgetrans-113.1136.2-179.6-170.9-55.4000111.4F25 G26 F27 Y122 F127 F128 R129 F382 C383F25-H125 PolarHBondContact O-CD2 3.32Å; F25-H125 VanDerWaalsContact O-CD2 3.24Å; F25-H125 PolarHBondContact O-NE2 2.95Å; G26-H125 WeakPolarHBondContact CA-NE2 3.21Å; G26-H125 WeakPolarHBondContact O-CA 3.29Å; G26-H125 PolarHBondContact O-CD2 3.18Å; G26-H125 PolarHBondContact O-CE1 3.35Å; G26-H125 VanDerWaalsContact O-CG 3.28Å; G26-H125 PolarHBondContact O-ND1 3.25Å; F27-H125 HydrophobicContact CD1-CB 4.05Å; F27-H125 HydrophobicContact CE1-CB 3.99Å; F27-H125 AromaticContact CE1-CD2 3.78Å; F27-H125 AromaticContact CE2-CD2 3.8Å; F27-H125 AromaticContact CZ-CD2 3.64Å; Y122-H125 WeakPolarHBondContact O-CB 3.16Å; Y122-H125 PolarHBondContact O-N 2.87Å; H125-F127 AromaticContact CE1-CD2 3.5Å; H125-F127 PolarHBondContact ND1-N 2.91Å; H125-F127 PolarHBondContact O-N 2.91Å; H125-F128 PolarHBondContact O-N 3.1Å; H125-F128 VanDerWaalsContact O-N 3.09Å; H125-R129 PolarHBondContact O-N 3.37Å; H125-R129 VanDerWaalsContact O-N 3.09Å; H125-F382 AromaticContact CE1-CD1 3.93Å; H125-F382 AromaticContact NE2-CD1 3.66Å; H125-C383 HydrophobicContact CB-CB 4.37Å; H125-C383 VanDerWaalsContact CD2-CB 3.45Å; H125-C383 WeakPolarHBondContact CD2-CB 3.42Å; H125-C383 PolarHBondContact CE1-SG 3.11Å; H125-C383 PolarHBondContact ND1-SG 3.42Å; H125-C383 VanDerWaalsContact ND1-SG 3.37Å; H125-C383 PolarHBondContact NE2-N 3.46Å; H125-C383 PolarHBondContact NE2-SG 2.92Å; H125-C383 VanDerWaalsContact NE2-SG 3.39Å
126V63.7Low64.8Low8 Ų861.3 Ų61.35%0.04829%0.286CS..Hα-helixtrans-44.3-63.6-177.6-178.70000113.4I18 Y19 T22 G26 F128 R129 Q130I18-V126 HydrophobicContact CG2-CG2 3.93Å; Y19-V126 HydrophobicContact CE1-CG1 4.19Å; T22-V126 HydrophobicContact CG2-CG2 3.31Å; G26-V126 PolarHBondContact O-N 3.4Å; G26-V126 VanDerWaalsContact O-N 3.1Å; V126-F128 PolarHBondContact O-N 2.9Å; V126-F128 VanDerWaalsContact O-N 3.14Å; V126-R129 PolarHBondContact O-N 3.02Å; V126-Q130 HydrophobicContact CG1-CG 4.07Å; V126-Q130 PolarHBondContact O-N 3.35Å
127F60.4Low64.8Low36 Ų3658 Ų5816%0.15827%0.269CS..Hα-helixtrans-61.7-22.3-177-60.4-61.2000115.4H125 Y133 A134 L137 F382H125-F127 AromaticContact CE1-CD2 3.5Å; H125-F127 PolarHBondContact ND1-N 2.91Å; H125-F127 PolarHBondContact O-N 2.91Å; F127-Y133 HydrophobicContact CD1-CD1 4.41Å; F127-Y133 AromaticContact CD1-CD2 3.73Å; F127-Y133 HydrophobicContact CD1-CD2 3.73Å; F127-Y133 HydrophobicContact CD1-CE2 4.42Å; F127-Y133 AromaticContact CD1-CG 3.72Å; F127-Y133 HydrophobicContact CD1-CG 3.72Å; F127-Y133 HydrophobicContact CE1-CD2 4.13Å; F127-Y133 HydrophobicContact CE1-CE2 4.37Å; F127-Y133 HydrophobicContact CE1-CG 4.26Å; F127-Y133 CarbonylContact O-C 3.4Å; F127-A134 WeakPolarHBondContact O-CA 3.44Å; F127-A134 WeakPolarHBondContact O-CB 3.32Å; F127-A134 PolarHBondContact O-N 3.13Å; F127-L137 HydrophobicContact CB-CD2 4.23Å; F127-F382 HydrophobicContact CD2-CB 3.74Å; F127-F382 HydrophobicContact CD2-CD2 4.4Å; F127-F382 HydrophobicContact CD2-CG 4.1Å; F127-F382 HydrophobicContact CE2-CB 3.77Å; F127-F382 HydrophobicContact CE2-CD1 4.24Å; F127-F382 AromaticContact CE2-CD2 3.56Å; F127-F382 HydrophobicContact CE2-CD2 3.56Å; F127-F382 HydrophobicContact CE2-CE2 4.18Å; F127-F382 AromaticContact CE2-CG 3.62Å; F127-F382 HydrophobicContact CE2-CG 3.62Å; F127-F382 HydrophobicContact CZ-CD2 4.39Å
128F60.5Low65.1Low3 Ų361.3 Ų61.31%0.01328%0.281CS..Hα-helixtrans-89.4-17.9176-84.9-113.9000112.8T121 Y122 H125 V126 L137 R138 I141 F169 C383T121-F128 HydrophobicContact CG2-CD1 4.32Å; T121-F128 HydrophobicContact CG2-CE1 3.7Å; T121-F128 HydrophobicContact CG2-CZ 4.36Å; T121-F128 WeakPolarHBondContact O-CD1 3.07Å; Y122-F128 AromaticContact CD2-CD1 3.92Å; Y122-F128 HydrophobicContact CD2-CD1 3.92Å; Y122-F128 AromaticContact CD2-CD2 3.62Å; Y122-F128 HydrophobicContact CD2-CD2 3.62Å; Y122-F128 AromaticContact CD2-CE1 3.67Å; Y122-F128 HydrophobicContact CD2-CE1 3.67Å; Y122-F128 AromaticContact CD2-CE2 3.36Å; Y122-F128 HydrophobicContact CD2-CE2 3.36Å; Y122-F128 AromaticContact CD2-CG 3.89Å; Y122-F128 HydrophobicContact CD2-CG 3.89Å; Y122-F128 AromaticContact CD2-CZ 3.38Å; Y122-F128 HydrophobicContact CD2-CZ 3.38Å; Y122-F128 HydrophobicContact CE2-CD2 4.42Å; Y122-F128 AromaticContact CE2-CE1 3.88Å; Y122-F128 HydrophobicContact CE2-CE1 3.88Å; Y122-F128 AromaticContact CE2-CE2 3.72Å; Y122-F128 HydrophobicContact CE2-CE2 3.72Å; Y122-F128 AromaticContact CE2-CZ 3.39Å; Y122-F128 HydrophobicContact CE2-CZ 3.39Å; Y122-F128 HydrophobicContact CG-CD1 4.42Å; Y122-F128 HydrophobicContact CG-CD2 4.46Å; Y122-F128 HydrophobicContact CG-CE1 4.48Å; Y122-F128 HydrophobicContact CG-CG 4.4Å; Y122-F128 WeakPolarHBondContact O-CB 3.31Å; H125-F128 PolarHBondContact O-N 3.1Å; H125-F128 VanDerWaalsContact O-N 3.09Å; V126-F128 PolarHBondContact O-N 2.9Å; V126-F128 VanDerWaalsContact O-N 3.14Å; F128-L137 HydrophobicContact CD2-CD2 3.9Å; F128-L137 HydrophobicContact CE2-CD2 3.34Å; F128-L137 HydrophobicContact CE2-CG 3.86Å; F128-L137 HydrophobicContact CZ-CD2 4.11Å; F128-L137 HydrophobicContact CZ-CG 4.12Å; F128-R138 PolarHBondContact O-NH2 2.98Å; F128-I141 HydrophobicContact CE1-CD1 3.64Å; F128-I141 HydrophobicContact CZ-CD1 3.51Å; F128-F169 HydrophobicContact CZ-CE2 4.31Å; F128-C383 HydrophobicContact CD2-CB 3.86Å; F128-C383 HydrophobicContact CE2-CB 3.67Å
129R65Low65.6Low152 Ų15264.6 Ų64.657%0.57430%0.298SS*.Hα-helixtrans-92.1-39.3175.5-175.2175.9175.4-164.4-5.9112.8H125 V126 P131H125-R129 PolarHBondContact O-N 3.37Å; H125-R129 VanDerWaalsContact O-N 3.09Å; V126-R129 PolarHBondContact O-N 3.02Å; R129-P131 WeakPolarHBondContact O-CD 3.4Å
130Q63.9Low66.1Low37 Ų3762.1 Ų62.117%0.17329%0.286CS..SBendtrans-75.4117.5-178.4-73.6179.7-14.100111.4Y19 V126 R132 Y133 A134Y19-Q130 PolarHBondContact OH-NE2 3.37Å; V126-Q130 HydrophobicContact CG1-CG 4.07Å; V126-Q130 PolarHBondContact O-N 3.35Å; Q130-R132 VanDerWaalsContact C-N 3.29Å; Q130-R132 PolarHBondContact O-N 3.37Å; Q130-R132 VanDerWaalsContact O-N 3.15Å; Q130-Y133 HydrophobicContact CB-CD2 4.1Å; Q130-Y133 PolarHBondContact O-N 3.46Å; Q130-Y133 VanDerWaalsContact O-N 3.16Å; Q130-Y133 VanDerWaalsContact OE1-CE2 3.26Å; Q130-A134 VanDerWaalsContact O-CB 3.28Å; Q130-A134 WeakPolarHBondContact O-CB 3.28Å; Q130-A134 PolarHBondContact O-N 2.9Å
131P66.4Low66.6Low110 Ų11060.4 Ų60.471%0.71428%0.28SS*.Hα-helixtrans-55.5-38.4-172.4-2936.1000114.9R129 Y133 A134 L135R129-P131 WeakPolarHBondContact O-CD 3.4Å; P131-Y133 VanDerWaalsContact C-N 3.27Å; P131-Y133 PolarHBondContact O-N 3.25Å; P131-A134 PolarHBondContact O-N 2.95Å; P131-L135 PolarHBondContact O-N 2.88Å
132R64.3Low67.6Low186 Ų18663.2 Ų63.270%0.70229%0.289SS*.Hα-helixtrans-58.4-34.1-178.3-61.9-174.2-175.3-133.42.4113.5Q130Q130-R132 VanDerWaalsContact C-N 3.29Å; Q130-R132 PolarHBondContact O-N 3.37Å; Q130-R132 VanDerWaalsContact O-N 3.15Å
133Y64Low69Low87 Ų8764.6 Ų64.634%0.34130%0.296SS..Hα-helixtrans-104.5-29.7-179.4-53.7-67.1000112.8F127 Q130 P131 L135 P136 L137 F376F127-Y133 HydrophobicContact CD1-CD1 4.41Å; F127-Y133 AromaticContact CD1-CD2 3.73Å; F127-Y133 HydrophobicContact CD1-CD2 3.73Å; F127-Y133 HydrophobicContact CD1-CE2 4.42Å; F127-Y133 AromaticContact CD1-CG 3.72Å; F127-Y133 HydrophobicContact CD1-CG 3.72Å; F127-Y133 HydrophobicContact CE1-CD2 4.13Å; F127-Y133 HydrophobicContact CE1-CE2 4.37Å; F127-Y133 HydrophobicContact CE1-CG 4.26Å; F127-Y133 CarbonylContact O-C 3.4Å; Q130-Y133 HydrophobicContact CB-CD2 4.1Å; Q130-Y133 PolarHBondContact O-N 3.46Å; Q130-Y133 VanDerWaalsContact O-N 3.16Å; Q130-Y133 VanDerWaalsContact OE1-CE2 3.26Å; P131-Y133 VanDerWaalsContact C-N 3.27Å; P131-Y133 PolarHBondContact O-N 3.25Å; Y133-L135 VanDerWaalsContact C-N 3.35Å; Y133-L135 PolarHBondContact O-N 3.22Å; Y133-P136 WeakPolarHBondContact O-CD 3.26Å; Y133-L137 VanDerWaalsContact O-CB 3.27Å; Y133-L137 WeakPolarHBondContact O-CB 3.25Å; Y133-L137 PolarHBondContact O-N 3.28Å; Y133-F376 HydrophobicContact CD1-CE2 4.28Å; Y133-F376 AromaticContact CD1-CZ 3.94Å; Y133-F376 HydrophobicContact CD1-CZ 3.94Å
134A66.9Low69.8Low5 Ų556.7 Ų56.74%0.04127%0.267CS..Hα-helixtrans-61.2-42.1-177.800000111.9F127 Q130 P131 R138F127-A134 WeakPolarHBondContact O-CA 3.44Å; F127-A134 WeakPolarHBondContact O-CB 3.32Å; F127-A134 PolarHBondContact O-N 3.13Å; Q130-A134 VanDerWaalsContact O-CB 3.28Å; Q130-A134 WeakPolarHBondContact O-CB 3.28Å; Q130-A134 PolarHBondContact O-N 2.9Å; P131-A134 PolarHBondContact O-N 2.95Å; A134-R138 WeakPolarHBondContact O-CB 3.46Å; A134-R138 WeakPolarHBondContact O-CG 3.4Å; A134-R138 PolarHBondContact O-N 3.09Å
135L71.6Confident70.6Confident109 Ų10952.3 Ų52.357%0.57124%0.243SC*.Hα-helixtrans-68-53.6-176-179.964.8000113.2P131 Y133 L137 R138 L139P131-L135 PolarHBondContact O-N 2.88Å; Y133-L135 VanDerWaalsContact C-N 3.35Å; Y133-L135 PolarHBondContact O-N 3.22Å; L135-L137 VanDerWaalsContact C-N 3.27Å; L135-L137 PolarHBondContact O-N 3.35Å; L135-R138 PolarHBondContact O-N 3.05Å; L135-L139 HydrophobicContact CD1-CD1 3.86Å; L135-L139 HydrophobicContact CD1-CG 3.99Å; L135-L139 HydrophobicContact CG-CD1 3.93Å; L135-L139 HydrophobicContact CG-CG 4.47Å; L135-L139 WeakPolarHBondContact O-CB 3.34Å; L135-L139 VanDerWaalsContact O-CG 3.28Å; L135-L139 WeakPolarHBondContact O-CG 2.92Å; L135-L139 PolarHBondContact O-N 3.17Å
136P74.1Confident71.5Confident57 Ų5752.7 Ų52.737%0.3725%0.245SC..Hα-helixtrans-59.1-37.4177-24.834.5000113.5Y133 T140 F376Y133-P136 WeakPolarHBondContact O-CD 3.26Å; P136-T140 WeakPolarHBondContact O-CB 3.44Å; P136-T140 PolarHBondContact O-N 2.95Å; P136-T140 VanDerWaalsContact O-N 3.1Å; P136-T140 PolarHBondContact O-OG1 2.8Å; P136-F376 HydrophobicContact CB-CE2 4.46Å; P136-F376 HydrophobicContact CB-CZ 4.06Å; P136-F376 HydrophobicContact CG-CZ 4.39Å
137L71.1Confident72.5Confident16 Ų1652.3 Ų52.38%0.08424%0.243CC..Hα-helixtrans-67.4-54.8178.1-174.646.4000110.7F127 F128 Y133 L135 L139 T140 I141 F169F127-L137 HydrophobicContact CB-CD2 4.23Å; F128-L137 HydrophobicContact CD2-CD2 3.9Å; F128-L137 HydrophobicContact CE2-CD2 3.34Å; F128-L137 HydrophobicContact CE2-CG 3.86Å; F128-L137 HydrophobicContact CZ-CD2 4.11Å; F128-L137 HydrophobicContact CZ-CG 4.12Å; Y133-L137 VanDerWaalsContact O-CB 3.27Å; Y133-L137 WeakPolarHBondContact O-CB 3.25Å; Y133-L137 PolarHBondContact O-N 3.28Å; L135-L137 VanDerWaalsContact C-N 3.27Å; L135-L137 PolarHBondContact O-N 3.35Å; L137-L139 VanDerWaalsContact C-N 3.31Å; L137-L139 PolarHBondContact O-N 3.18Å; L137-T140 WeakPolarHBondContact O-CA 3.33Å; L137-T140 VanDerWaalsContact O-CB 3.3Å; L137-T140 WeakPolarHBondContact O-CB 3.4Å; L137-T140 PolarHBondContact O-N 3.47Å; L137-I141 WeakPolarHBondContact O-CG1 3.48Å; L137-I141 PolarHBondContact O-N 2.66Å; L137-F169 HydrophobicContact CD1-CD1 4.25Å; L137-F169 HydrophobicContact CD1-CD2 4.33Å; L137-F169 HydrophobicContact CD1-CG 4.2Å
138R72.9Confident73.4Confident73 Ų7350.8 Ų50.828%0.27524%0.237SC..Hα-helixtrans-54.6-42.6177.1-73-179.5-163.7-177.715.2112.6I118 N119 F128 A134 L135 T140 I141 R142I118-R138 HydrophobicContact CG2-CB 3.63Å; I118-R138 HydrophobicContact CG2-CG 3.47Å; I118-R138 VanDerWaalsContact CG2-CG 3.47Å; N119-R138 PolarHBondContact OD1-NH1 3.39Å; F128-R138 PolarHBondContact O-NH2 2.98Å; A134-R138 WeakPolarHBondContact O-CB 3.46Å; A134-R138 WeakPolarHBondContact O-CG 3.4Å; A134-R138 PolarHBondContact O-N 3.09Å; L135-R138 PolarHBondContact O-N 3.05Å; R138-T140 VanDerWaalsContact C-N 3.31Å; R138-T140 PolarHBondContact O-N 3.45Å; R138-I141 PolarHBondContact O-N 3.09Å; R138-R142 WeakPolarHBondContact O-CB 3.15Å; R138-R142 PolarHBondContact O-N 3.42Å
139L79.1Confident74.1Confident77 Ų7751.5 Ų51.540%0.40324%0.242SC..Hα-helixtrans-63.4-35.9175.6-72172.1000112.5L135 L137 Q143L135-L139 HydrophobicContact CD1-CD1 3.86Å; L135-L139 HydrophobicContact CD1-CG 3.99Å; L135-L139 HydrophobicContact CG-CD1 3.93Å; L135-L139 HydrophobicContact CG-CG 4.47Å; L135-L139 WeakPolarHBondContact O-CB 3.34Å; L135-L139 VanDerWaalsContact O-CG 3.28Å; L135-L139 WeakPolarHBondContact O-CG 2.92Å; L135-L139 PolarHBondContact O-N 3.17Å; L137-L139 VanDerWaalsContact C-N 3.31Å; L137-L139 PolarHBondContact O-N 3.18Å; L139-Q143 WeakPolarHBondContact O-CG 3.38Å; L139-Q143 PolarHBondContact O-N 2.71Å
140T78.6Confident74.8Confident23 Ų2344.6 Ų44.614%0.14122%0.217CC..Hα-helixtrans-67-45.2173.8-68.70000111.8P136 L137 R138 R142 Q143 I144 Q173 Y373P136-T140 WeakPolarHBondContact O-CB 3.44Å; P136-T140 PolarHBondContact O-N 2.95Å; P136-T140 VanDerWaalsContact O-N 3.1Å; P136-T140 PolarHBondContact O-OG1 2.8Å; L137-T140 WeakPolarHBondContact O-CA 3.33Å; L137-T140 VanDerWaalsContact O-CB 3.3Å; L137-T140 WeakPolarHBondContact O-CB 3.4Å; L137-T140 PolarHBondContact O-N 3.47Å; R138-T140 VanDerWaalsContact C-N 3.31Å; R138-T140 PolarHBondContact O-N 3.45Å; T140-R142 VanDerWaalsContact C-N 3.33Å; T140-R142 PolarHBondContact O-N 2.84Å; T140-Q143 PolarHBondContact O-N 2.88Å; T140-I144 HydrophobicContact CG2-CD1 3.8Å; T140-I144 WeakPolarHBondContact O-CD1 3.19Å; T140-I144 WeakPolarHBondContact O-CG1 3.2Å; T140-I144 PolarHBondContact O-N 2.85Å; T140-I144 VanDerWaalsContact O-N 3.07Å; T140-Q173 HydrophobicContact CG2-CG 3.81Å; T140-Q173 PolarHBondContact OG1-NE2 2.93Å; T140-Y373 PolarHBondContact OG1-OH 3.27Å
141I74.3Confident75.4Confident5 Ų543.1 Ų43.13%0.02621%0.211CC..Hα-helixtrans-55.5-52.3173.9-32.6-175.9000109.7I118 F128 L137 R138 Q143 I144 L145 F169I118-I141 HydrophobicContact CD1-CB 3.99Å; I118-I141 HydrophobicContact CD1-CG2 4.21Å; I118-I141 HydrophobicContact CG1-CB 4.17Å; I118-I141 HydrophobicContact CG1-CG2 4.07Å; I118-I141 HydrophobicContact CG2-CD1 4.32Å; F128-I141 HydrophobicContact CE1-CD1 3.64Å; F128-I141 HydrophobicContact CZ-CD1 3.51Å; L137-I141 WeakPolarHBondContact O-CG1 3.48Å; L137-I141 PolarHBondContact O-N 2.66Å; R138-I141 PolarHBondContact O-N 3.09Å; I141-Q143 VanDerWaalsContact C-N 3.31Å; I141-Q143 PolarHBondContact O-N 2.79Å; I141-I144 PolarHBondContact O-N 3.21Å; I141-L145 HydrophobicContact CG2-CD1 3.54Å; I141-L145 HydrophobicContact CG2-CG 4.03Å; I141-L145 WeakPolarHBondContact O-CB 3.03Å; I141-L145 WeakPolarHBondContact O-CG 3.06Å; I141-L145 PolarHBondContact O-N 3.34Å; I141-F169 HydrophobicContact CB-CE1 4.27Å; I141-F169 HydrophobicContact CB-CZ 3.94Å; I141-F169 HydrophobicContact CD1-CE1 4.5Å; I141-F169 HydrophobicContact CD1-CE2 3.98Å; I141-F169 HydrophobicContact CD1-CZ 3.58Å; I141-F169 HydrophobicContact CG1-CE1 3.81Å; I141-F169 HydrophobicContact CG1-CE2 4.18Å; I141-F169 HydrophobicContact CG1-CZ 3.33Å; I141-F169 HydrophobicContact CG2-CE1 4.32Å; I141-F169 HydrophobicContact CG2-CZ 3.75Å
142R79.4Confident75.5Confident69 Ų6938.4 Ų38.426%0.2618%0.18SC..Hα-helixtrans-52.4-47.1178.6176.3-177.8167.385.5-0.9111.7T111 D115 I118 R138 T140 L145 L146T111-R142 VanDerWaalsContact CG2-NH1 3.33Å; D115-R142 IonicContact OD1-CZ 3.41Å; D115-R142 IonicContact OD1-NH1 2.73Å; D115-R142 PolarHBondContact OD1-NH1 2.98Å; D115-R142 IonicContact OD2-CZ 3.95Å; D115-R142 IonicContact OD2-NH1 3.18Å; D115-R142 PolarHBondContact OD2-NH1 2.97Å; I118-R142 HydrophobicContact CD1-CB 3.7Å; R138-R142 WeakPolarHBondContact O-CB 3.15Å; R138-R142 PolarHBondContact O-N 3.42Å; T140-R142 VanDerWaalsContact C-N 3.33Å; T140-R142 PolarHBondContact O-N 2.84Å; R142-L145 PolarHBondContact O-N 2.9Å; R142-L146 HydrophobicContact CG-CD1 3.59Å; R142-L146 HydrophobicContact CG-CG 4.28Å; R142-L146 WeakPolarHBondContact O-CB 3.48Å; R142-L146 WeakPolarHBondContact O-CD1 3.4Å; R142-L146 WeakPolarHBondContact O-CG 3.39Å; R142-L146 PolarHBondContact O-N 3.02Å
143Q83.9Confident75.1Confident42 Ų4232.7 Ų32.720%0.19616%0.162CC..Hα-helixtrans-64.7-44.7-180-74.4175.211.700112.9R101 L139 T140 I141 L145 S147R101-Q143 HydrophobicContact CG-CB 4.26Å; R101-Q143 HydrophobicContact CG-CG 4.41Å; L139-Q143 WeakPolarHBondContact O-CG 3.38Å; L139-Q143 PolarHBondContact O-N 2.71Å; T140-Q143 PolarHBondContact O-N 2.88Å; I141-Q143 VanDerWaalsContact C-N 3.31Å; I141-Q143 PolarHBondContact O-N 2.79Å; Q143-L145 VanDerWaalsContact C-N 3.31Å; Q143-L145 PolarHBondContact O-N 3.39Å; Q143-S147 WeakPolarHBondContact O-CB 3.48Å; Q143-S147 PolarHBondContact O-N 3.31Å; Q143-S147 VanDerWaalsContact O-N 3.11Å; Q143-S147 PolarHBondContact O-OG 3.11Å
144I81.3Confident74.7Confident2 Ų233.7 Ų33.71%0.0117%0.17CC..Hα-helixtrans-60.9-43.9176.2-63.3158.4000110.2T140 I141 S147 A148 A165 F169 A176 F177T140-I144 HydrophobicContact CG2-CD1 3.8Å; T140-I144 WeakPolarHBondContact O-CD1 3.19Å; T140-I144 WeakPolarHBondContact O-CG1 3.2Å; T140-I144 PolarHBondContact O-N 2.85Å; T140-I144 VanDerWaalsContact O-N 3.07Å; I141-I144 PolarHBondContact O-N 3.21Å; I144-S147 PolarHBondContact O-N 3.22Å; I144-A148 WeakPolarHBondContact O-CB 3.35Å; I144-A148 PolarHBondContact O-N 3.21Å; I144-A165 HydrophobicContact CG2-CB 4.05Å; I144-F169 HydrophobicContact CD1-CE1 4.41Å; I144-A176 HydrophobicContact CD1-CB 3.73Å; I144-A176 HydrophobicContact CG1-CB 4.44Å; I144-F177 HydrophobicContact CG2-CB 4.2Å
145L78.7Confident73.9Confident1 Ų134.5 Ų34.51%0.00517%0.172CC..Hα-helixtrans-69.9-43.6-175.8-71.8-179.5000114.5I114 I118 I141 R142 Q143 S147 A148 S149 Y162 A165I114-L145 HydrophobicContact CD1-CB 4.06Å; I114-L145 HydrophobicContact CG1-CB 4.27Å; I114-L145 HydrophobicContact CG2-CB 3.96Å; I114-L145 HydrophobicContact CG2-CD1 3.88Å; I118-L145 HydrophobicContact CD1-CD1 4.2Å; I118-L145 HydrophobicContact CG1-CD1 4.32Å; I141-L145 HydrophobicContact CG2-CD1 3.54Å; I141-L145 HydrophobicContact CG2-CG 4.03Å; I141-L145 WeakPolarHBondContact O-CB 3.03Å; I141-L145 WeakPolarHBondContact O-CG 3.06Å; I141-L145 PolarHBondContact O-N 3.34Å; R142-L145 PolarHBondContact O-N 2.9Å; Q143-L145 VanDerWaalsContact C-N 3.31Å; Q143-L145 PolarHBondContact O-N 3.39Å; L145-S147 VanDerWaalsContact C-N 3.31Å; L145-A148 PolarHBondContact O-N 2.88Å; L145-S149 PolarHBondContact O-N 3.12Å; L145-Y162 WeakPolarHBondContact CD1-O 3.46Å; L145-Y162 VanDerWaalsContact CD2-CA 3.42Å; L145-Y162 HydrophobicContact CD2-CD1 4.02Å; L145-Y162 HydrophobicContact CD2-CG 4.28Å; L145-Y162 WeakPolarHBondContact CD2-O 3.2Å; L145-A165 HydrophobicContact CD2-CB 3.34Å; L145-A165 HydrophobicContact CG-CB 4.2Å
146L82.1Confident72.8Confident9 Ų930.3 Ų30.35%0.04715%0.151CC..Hα-helixtrans-64.3-40.4174.3-65.1168.7000110.3A104 A108 T111 I114 R142 A148 S149 V150A104-L146 VanDerWaalsContact CB-C 3.43Å; A104-L146 HydrophobicContact CB-CB 3.84Å; A104-L146 WeakPolarHBondContact CB-O 3.49Å; A108-L146 HydrophobicContact CB-CB 4.25Å; A108-L146 HydrophobicContact CB-CD2 3.55Å; A108-L146 HydrophobicContact CB-CG 4.47Å; T111-L146 WeakPolarHBondContact OG1-CD2 3.33Å; I114-L146 HydrophobicContact CD1-CD2 3.61Å; I114-L146 HydrophobicContact CD1-CG 4.18Å; R142-L146 HydrophobicContact CG-CD1 3.59Å; R142-L146 HydrophobicContact CG-CG 4.28Å; R142-L146 WeakPolarHBondContact O-CB 3.48Å; R142-L146 WeakPolarHBondContact O-CD1 3.4Å; R142-L146 WeakPolarHBondContact O-CG 3.39Å; R142-L146 PolarHBondContact O-N 3.02Å; L146-A148 VanDerWaalsContact C-N 3.29Å; L146-A148 PolarHBondContact O-N 2.77Å; L146-S149 PolarHBondContact O-N 3.47Å; L146-S149 PolarHBondContact O-OG 2.89Å; L146-V150 PolarHBondContact O-N 3.07Å; L146-V150 VanDerWaalsContact O-N 3.14Å
147S83.8Confident71.3Confident0 Ų030.5 Ų30.50%015%0.147CC..Hα-helixtrans-62.8-37.1175-51.80000111.7Y97 R101 Q143 I144 L145 C151Y97-S147 WeakPolarHBondContact CE2-OG 3.39Å; R101-S147 VanDerWaalsContact CA-OG 3.25Å; R101-S147 WeakPolarHBondContact CA-OG 3.4Å; R101-S147 WeakPolarHBondContact CB-OG 3.34Å; R101-S147 PolarHBondContact N-OG 3.01Å; Q143-S147 WeakPolarHBondContact O-CB 3.48Å; Q143-S147 PolarHBondContact O-N 3.31Å; Q143-S147 VanDerWaalsContact O-N 3.11Å; Q143-S147 PolarHBondContact O-OG 3.11Å; I144-S147 PolarHBondContact O-N 3.22Å; L145-S147 VanDerWaalsContact C-N 3.31Å; S147-C151 VanDerWaalsContact O-CB 3.22Å; S147-C151 WeakPolarHBondContact O-CB 3.26Å; S147-C151 PolarHBondContact O-N 3.07Å
148A79Confident70.3Confident3 Ų337 Ų373%0.02517%0.17CC..Hα-helixtrans-74-40.1177.800000113.5I144 L145 L146 V150 C151 L152 F177 L180I144-A148 WeakPolarHBondContact O-CB 3.35Å; I144-A148 PolarHBondContact O-N 3.21Å; L145-A148 PolarHBondContact O-N 2.88Å; L146-A148 VanDerWaalsContact C-N 3.29Å; L146-A148 PolarHBondContact O-N 2.77Å; A148-V150 VanDerWaalsContact C-N 3.25Å; A148-V150 PolarHBondContact O-N 3.41Å; A148-C151 PolarHBondContact O-N 2.79Å; A148-L152 WeakPolarHBondContact O-CB 3.33Å; A148-L152 WeakPolarHBondContact O-CG 3.12Å; A148-L152 PolarHBondContact O-N 3.1Å; A148-L152 VanDerWaalsContact O-N 3.16Å; A148-F177 HydrophobicContact CB-CD2 4.49Å; A148-L180 HydrophobicContact CB-CD2 3.52Å
149S76.4Confident69.1Low18 Ų1834.4 Ų34.413%0.12616%0.162CC..Hα-helixtrans-64.9-32.9176.475.80000112L145 L146 Y162L145-S149 PolarHBondContact O-N 3.12Å; L146-S149 PolarHBondContact O-N 3.47Å; L146-S149 PolarHBondContact O-OG 2.89Å; S149-Y162 VanDerWaalsContact CB-OH 3.29Å; S149-Y162 WeakPolarHBondContact CB-OH 3.42Å
150V79Confident67.6Low7 Ų731.2 Ų31.24%0.04215%0.145CC..Hα-helixtrans-81.7-27.9174.4168.70000112.6L100 R103 A104 A108 L146 A148 L152 I153 I350L100-V150 HydrophobicContact CD2-CG1 4.26Å; R103-V150 HydrophobicContact CB-CG1 4.34Å; R103-V150 HydrophobicContact CG-CG1 3.8Å; A104-V150 HydrophobicContact CB-CB 3.99Å; A104-V150 HydrophobicContact CB-CG1 4.46Å; A104-V150 HydrophobicContact CB-CG2 3.72Å; A108-V150 HydrophobicContact CB-CG2 3.91Å; L146-V150 PolarHBondContact O-N 3.07Å; L146-V150 VanDerWaalsContact O-N 3.14Å; A148-V150 VanDerWaalsContact C-N 3.25Å; A148-V150 PolarHBondContact O-N 3.41Å; V150-L152 VanDerWaalsContact C-N 3.35Å; V150-I153 WeakPolarHBondContact O-CG1 3.12Å; V150-I350 HydrophobicContact CG1-CD1 3.88Å; V150-I350 HydrophobicContact CG1-CG1 4.26Å; V150-I350 HydrophobicContact CG1-CG2 4.07Å; V150-I350 VanDerWaalsContact O-CG2 3.3Å; V150-I350 WeakPolarHBondContact O-CG2 3.34Å
151C76.8Confident66.1Low7 Ų730.2 Ų30.25%0.04714%0.139CC..Hα-helixtrans-75.5-21.4176.1-167.80000114.1L100 S147 A148 F177L100-C151 HydrophobicContact CD1-CB 3.82Å; L100-C151 HydrophobicContact CD2-CB 3.93Å; S147-C151 VanDerWaalsContact O-CB 3.22Å; S147-C151 WeakPolarHBondContact O-CB 3.26Å; S147-C151 PolarHBondContact O-N 3.07Å; A148-C151 PolarHBondContact O-N 2.79Å; C151-F177 HydrophobicContact CB-CE2 3.94Å; C151-F177 HydrophobicContact CB-CZ 3.95Å
152L68.6Low64.7Low11 Ų1130.7 Ų30.76%0.05814%0.14CC..SBendtrans-115.851.6-170.6-60175.6000110.6A148 V150 E154 Y155 M184A148-L152 WeakPolarHBondContact O-CB 3.33Å; A148-L152 WeakPolarHBondContact O-CG 3.12Å; A148-L152 PolarHBondContact O-N 3.1Å; A148-L152 VanDerWaalsContact O-N 3.16Å; V150-L152 VanDerWaalsContact C-N 3.35Å; L152-E154 PolarHBondContact O-N 2.82Å; L152-Y155 HydrophobicContact CB-CD2 4.13Å; L152-Y155 HydrophobicContact CD2-CD2 4.41Å; L152-Y155 WeakPolarHBondContact O-CA 3.37Å; L152-Y155 WeakPolarHBondContact O-CB 3.49Å; L152-Y155 PolarHBondContact O-N 2.8Å; L152-M184 HydrophobicContact CD1-CB 4.45Å; L152-M184 HydrophobicContact CD1-CE 4.14Å; L152-M184 HydrophobicContact CD1-CG 4.22Å
153I56.3Low63.1Low66 Ų6627.6 Ų27.634%0.33813%0.129SC..THydrogen-bonded Turntrans-51.9-53.6-162.8-50.791.9000114.5V150 Y155 I350V150-I153 WeakPolarHBondContact O-CG1 3.12Å; I153-Y155 PolarHBondContact O-N 3.13Å; I153-I350 HydrophobicContact CD1-CB 3.75Å; I153-I350 HydrophobicContact CD1-CG2 3.93Å; I153-I350 HydrophobicContact CG1-CB 3.84Å; I153-I350 HydrophobicContact CG1-CD1 3.73Å; I153-I350 HydrophobicContact CG1-CG1 4.39Å; I153-I350 HydrophobicContact CG1-CG2 4.29Å
154E54.5Low61.3Low108 Ų10825.6 Ų25.651%0.50512%0.12SC..THydrogen-bonded Turntrans-67.4-11.1-179.4-73-165.7133.900113.3L152 E345L152-E154 PolarHBondContact O-N 2.82Å; E154-E345 HydrophobicContact CG-CG 4.4Å
155Y51Low59.6Low22 Ų2225.5 Ų25.59%0.08612%0.119CC..  trans-118.1145.5-153.1-50.6-43.7000112.9L152 I153 H192 M196 P343 V344 E345L152-Y155 HydrophobicContact CB-CD2 4.13Å; L152-Y155 HydrophobicContact CD2-CD2 4.41Å; L152-Y155 WeakPolarHBondContact O-CA 3.37Å; L152-Y155 WeakPolarHBondContact O-CB 3.49Å; L152-Y155 PolarHBondContact O-N 2.8Å; I153-Y155 PolarHBondContact O-N 3.13Å; Y155-H192 AromaticContact CD1-CE1 3.12Å; Y155-H192 WeakPolarHBondContact CD1-CE1 3.47Å; Y155-H192 AromaticContact CD1-ND1 3.96Å; Y155-H192 AromaticContact CD1-NE2 3.82Å; Y155-H192 AromaticContact CE1-CE1 3.87Å; Y155-H192 AromaticContact CG-CE1 3.3Å; Y155-H192 AromaticContact CG-ND1 3.66Å; Y155-M196 HydrophobicContact CD1-CE 4.09Å; Y155-M196 HydrophobicContact CD1-SD 3.99Å; Y155-P343 HydrophobicContact CE2-CB 3.84Å; Y155-V344 PolarHBondContact OH-N 3.02Å; Y155-E345 PolarHBondContact OH-N 3.1Å
156V48.7Very low57.9Low20 Ų2025.6 Ų25.612%0.12112%0.12CC..  trans90.5127.6166.8-177.10000116.8R158 V161 M184 F195V156-R158 PolarHBondContact O-N 2.73Å; V156-R158 VanDerWaalsContact O-N 3.09Å; V156-V161 HydrophobicContact CB-CG2 4.18Å; V156-V161 HydrophobicContact CG1-CB 3.94Å; V156-V161 HydrophobicContact CG1-CG2 3.67Å; V156-V161 HydrophobicContact CG2-CB 4.09Å; V156-V161 HydrophobicContact CG2-CG2 3.37Å; V156-M184 HydrophobicContact CG2-CE 3.91Å; V156-F195 WeakPolarHBondContact CA-O 3.44Å; V156-F195 HydrophobicContact CB-CB 4.37Å; V156-F195 HydrophobicContact CG1-CB 4.08Å; V156-F195 HydrophobicContact CG2-CB 3.94Å
157H42.5Very low56.2Low62 Ų6225.2 Ų25.229%0.28712%0.118SC..  trans-62.3106.5152.8-93.4-51.7000109.6D159 Q160 F195 F199H157-D159 PolarHBondContact O-N 3.15Å; H157-Q160 PolarHBondContact O-N 2.69Å; H157-F195 PolarHBondContact N-O 3.31Å; H157-F199 AromaticContact CD2-CZ 3.79Å
158R50.1Low54.8Low152 Ų15225.2 Ų25.257%0.57412%0.118SC*.THydrogen-bonded Turntrans-48.618-166.5-61.7179.5-108.2-110.54.4119.9D110 V156 Y162D110-R158 WeakPolarHBondContact OD1-CB 3.24Å; D110-R158 WeakPolarHBondContact OD1-CD 3.11Å; D110-R158 VanDerWaalsContact OD1-CG 3.26Å; D110-R158 WeakPolarHBondContact OD1-CG 3.4Å; V156-R158 PolarHBondContact O-N 2.73Å; V156-R158 VanDerWaalsContact O-N 3.09Å; R158-Y162 WeakPolarHBondContact O-CE2 3.2Å
159D47.8Very low53.6Low19 Ų1926 Ų2610%0.10212%0.121CC..THydrogen-bonded Turntrans-139.916-175.213.9-82.4000113.7Q113 H157 L389 L390Q113-D159 HydrophobicContact CG-CB 4.06Å; H157-D159 PolarHBondContact O-N 3.15Å; D159-L389 WeakPolarHBondContact CB-O 3.25Å; D159-L390 WeakPolarHBondContact OD1-CD1 3.25Å; D159-L390 PolarHBondContact OD2-N 3.16Å
160Q47.8Very low52.8Low10 Ų1026.5 Ų26.55%0.04713%0.126CC..SBendtrans-134.3-28.9-173.3-61.3-161.187.900116.4H157 Y162 Q164 F195 F199 L243H157-Q160 PolarHBondContact O-N 2.69Å; Q160-Y162 VanDerWaalsContact C-N 3.33Å; Q160-Q164 PolarHBondContact O-NE2 3.28Å; Q160-F195 HydrophobicContact CB-CD1 3.62Å; Q160-F195 HydrophobicContact CB-CE1 3.92Å; Q160-F199 VanDerWaalsContact NE2-CE1 3.26Å; Q160-L243 HydrophobicContact CB-CD1 3.97Å; Q160-L243 HydrophobicContact CG-CD1 4.2Å; Q160-L243 VanDerWaalsContact O-CD2 3.32Å; Q160-L243 WeakPolarHBondContact O-CD2 3.24Å; Q160-L243 VanDerWaalsContact OE1-CD1 3.22Å
161V45.1Very low52.3Low2 Ų227.3 Ų27.31%0.01213%0.129CC..G310 helixtrans-72.1-29.3173.41650000112.9V156 L163 Q164 L180 M184 F195V156-V161 HydrophobicContact CB-CG2 4.18Å; V156-V161 HydrophobicContact CG1-CB 3.94Å; V156-V161 HydrophobicContact CG1-CG2 3.67Å; V156-V161 HydrophobicContact CG2-CB 4.09Å; V156-V161 HydrophobicContact CG2-CG2 3.37Å; V161-L163 PolarHBondContact O-N 3.35Å; V161-Q164 PolarHBondContact O-N 3.28Å; V161-L180 HydrophobicContact CG1-CD1 4.42Å; V161-M184 HydrophobicContact CG1-CE 4.28Å; V161-M184 HydrophobicContact CG1-SD 4.12Å; V161-M184 HydrophobicContact CG2-CE 3.48Å; V161-M184 VanDerWaalsContact CG2-CE 3.48Å; V161-M184 HydrophobicContact CG2-SD 3.67Å; V161-F195 HydrophobicContact CG2-CB 3.75Å; V161-F195 HydrophobicContact CG2-CD1 4.05Å; V161-F195 HydrophobicContact CG2-CD2 3.59Å; V161-F195 HydrophobicContact CG2-CE2 4.34Å; V161-F195 HydrophobicContact CG2-CG 3.46Å; V161-F195 VanDerWaalsContact CG2-CG 3.46Å
162Y46.1Very low52.3Low14 Ų1430 Ų306%0.05514%0.143CC..G310 helixtrans-67.4-6.6-172.5-51.8-30.9000115.4D110 I114 L145 S149 R158 Q160D110-Y162 HydrophobicContact CB-CE2 3.81Å; D110-Y162 WeakPolarHBondContact CB-OH 3.37Å; D110-Y162 PolarHBondContact OD2-OH 3.38Å; I114-Y162 HydrophobicContact CD1-CD1 4.39Å; I114-Y162 HydrophobicContact CD1-CD2 4.12Å; I114-Y162 HydrophobicContact CD1-CE1 4.29Å; I114-Y162 HydrophobicContact CD1-CE2 3.96Å; I114-Y162 HydrophobicContact CD1-CG 4.34Å; I114-Y162 HydrophobicContact CG1-CD1 4.31Å; I114-Y162 HydrophobicContact CG1-CD2 3.39Å; I114-Y162 HydrophobicContact CG1-CE2 3.64Å; I114-Y162 HydrophobicContact CG1-CG 3.77Å; L145-Y162 WeakPolarHBondContact CD1-O 3.46Å; L145-Y162 VanDerWaalsContact CD2-CA 3.42Å; L145-Y162 HydrophobicContact CD2-CD1 4.02Å; L145-Y162 HydrophobicContact CD2-CG 4.28Å; L145-Y162 WeakPolarHBondContact CD2-O 3.2Å; S149-Y162 VanDerWaalsContact CB-OH 3.29Å; S149-Y162 WeakPolarHBondContact CB-OH 3.42Å; R158-Y162 WeakPolarHBondContact O-CE2 3.2Å; Q160-Y162 VanDerWaalsContact C-N 3.33Å
163L45Very low52.9Low5 Ų530.2 Ų30.23%0.02614%0.144CC..G310 helixtrans-74.6-49.2167.3-97.660.5000111.8V161 A165 A166 L243 F385 G386V161-L163 PolarHBondContact O-N 3.35Å; L163-A165 VanDerWaalsContact C-N 3.28Å; L163-A165 PolarHBondContact O-N 2.87Å; L163-A166 VanDerWaalsContact O-CB 3.26Å; L163-A166 WeakPolarHBondContact O-CB 3.49Å; L163-A166 PolarHBondContact O-N 3.35Å; L163-L243 HydrophobicContact CB-CD2 4.22Å; L163-L243 HydrophobicContact CD2-CD2 4.4Å; L163-F385 HydrophobicContact CB-CD1 4.34Å; L163-F385 HydrophobicContact CB-CE1 3.66Å; L163-F385 HydrophobicContact CD2-CD1 4.38Å; L163-F385 HydrophobicContact CD2-CE1 4.49Å; L163-F385 HydrophobicContact CG-CD1 4.22Å; L163-F385 HydrophobicContact CG-CE1 4.01Å; L163-F385 WeakPolarHBondContact O-CE1 3.12Å; L163-F385 WeakPolarHBondContact O-CZ 3.4Å; L163-G386 VanDerWaalsContact CD1-O 3.27Å; L163-G386 WeakPolarHBondContact CD1-O 3.42Å; L163-G386 WeakPolarHBondContact CG-O 3.28Å
164Q47.2Very low54.4Low0 Ų029 Ų290%014%0.141CC..G310 helixtrans-66.4-28.7-163.7-72.815096.600113.6Q160 V161 A166 V167 L180 M191 F195 L243Q160-Q164 PolarHBondContact O-NE2 3.28Å; V161-Q164 PolarHBondContact O-N 3.28Å; Q164-A166 PolarHBondContact O-N 2.86Å; Q164-A166 VanDerWaalsContact O-N 3.08Å; Q164-V167 WeakPolarHBondContact O-CB 3.42Å; Q164-V167 VanDerWaalsContact O-CG2 3.27Å; Q164-V167 WeakPolarHBondContact O-CG2 3.01Å; Q164-V167 PolarHBondContact O-N 3.5Å; Q164-V167 VanDerWaalsContact O-N 3.16Å; Q164-L180 HydrophobicContact CB-CD1 3.83Å; Q164-M191 PolarHBondContact OE1-SD 3.27Å; Q164-F195 VanDerWaalsContact CD-CZ 3.49Å; Q164-F195 VanDerWaalsContact OE1-CZ 3.32Å; Q164-L243 HydrophobicContact CG-CD2 4.25Å
165A45Very low55.9Low0 Ų024.7 Ų24.70%012%0.121CC..G310 helixtrans-55.3-27.5173.700000113.1I144 L145 L163 V167 L168 L180I144-A165 HydrophobicContact CG2-CB 4.05Å; L145-A165 HydrophobicContact CD2-CB 3.34Å; L145-A165 HydrophobicContact CG-CB 4.2Å; L163-A165 VanDerWaalsContact C-N 3.28Å; L163-A165 PolarHBondContact O-N 2.87Å; A165-V167 VanDerWaalsContact C-N 3.32Å; A165-V167 PolarHBondContact O-N 3.23Å; A165-L168 VanDerWaalsContact O-CB 3.26Å; A165-L168 WeakPolarHBondContact O-CB 3.45Å; A165-L168 WeakPolarHBondContact O-CG 3.24Å; A165-L168 PolarHBondContact O-N 3.5Å; A165-L180 HydrophobicContact CB-CD1 4.36Å; A165-L180 HydrophobicContact CB-CD2 3.75Å
166A42.4Very low57.5Low3 Ų323.6 Ų23.63%0.02512%0.117CC..G310 helixtrans-69.3-27.3-177.600000113.9Y122 L163 Q164 L168 F169 F384Y122-A166 WeakPolarHBondContact OH-CB 3.12Å; L163-A166 VanDerWaalsContact O-CB 3.26Å; L163-A166 WeakPolarHBondContact O-CB 3.49Å; L163-A166 PolarHBondContact O-N 3.35Å; Q164-A166 PolarHBondContact O-N 2.86Å; Q164-A166 VanDerWaalsContact O-N 3.08Å; A166-L168 PolarHBondContact O-N 2.92Å; A166-F169 VanDerWaalsContact CA-CZ 3.46Å; A166-F169 HydrophobicContact CB-CD2 4.45Å; A166-F169 HydrophobicContact CB-CE2 3.57Å; A166-F169 HydrophobicContact CB-CZ 3.76Å; A166-F169 WeakPolarHBondContact O-CD2 3.2Å; A166-F169 WeakPolarHBondContact O-CE2 3.44Å; A166-F169 WeakPolarHBondContact O-CG 3.22Å; A166-F169 PolarHBondContact O-N 3Å; A166-F384 WeakPolarHBondContact O-CD1 3.42Å; A166-F384 WeakPolarHBondContact O-CE1 3.12Å
167V47.3Very low59.2Low0 Ų022.8 Ų22.80%011%0.112CC..G310 helixtrans-49.8-25.9172.8179.30000111.5W82 Q164 A165 W262 M266 F384 F385W82-V167 HydrophobicContact CE3-CG1 4.34Å; W82-V167 HydrophobicContact CH2-CG1 3.78Å; W82-V167 HydrophobicContact CZ3-CG1 3.42Å; W82-V167 VanDerWaalsContact CZ3-CG1 3.42Å; W82-V167 WeakPolarHBondContact CZ3-O 3.43Å; Q164-V167 WeakPolarHBondContact O-CB 3.42Å; Q164-V167 VanDerWaalsContact O-CG2 3.27Å; Q164-V167 WeakPolarHBondContact O-CG2 3.01Å; Q164-V167 PolarHBondContact O-N 3.5Å; Q164-V167 VanDerWaalsContact O-N 3.16Å; A165-V167 VanDerWaalsContact C-N 3.32Å; A165-V167 PolarHBondContact O-N 3.23Å; V167-W262 HydrophobicContact CG1-CD2 3.93Å; V167-W262 HydrophobicContact CG1-CE3 3.92Å; V167-W262 HydrophobicContact CG1-CG 4.46Å; V167-W262 HydrophobicContact CG1-CH2 4.36Å; V167-W262 HydrophobicContact CG1-CZ2 4.42Å; V167-W262 HydrophobicContact CG1-CZ3 4.12Å; V167-W262 HydrophobicContact CG2-CD2 4.29Å; V167-W262 HydrophobicContact CG2-CH2 3.62Å; V167-W262 HydrophobicContact CG2-CZ2 3.37Å; V167-W262 HydrophobicContact CG2-CZ3 4.2Å; V167-M266 HydrophobicContact CG1-CE 4.12Å; V167-F384 VanDerWaalsContact CA-CE1 3.49Å; V167-F384 WeakPolarHBondContact O-CE1 3.4Å; V167-F384 VanDerWaalsContact O-CZ 3.22Å; V167-F384 WeakPolarHBondContact O-CZ 3.46Å; V167-F385 HydrophobicContact CG2-CE2 3.55Å; V167-F385 HydrophobicContact CG2-CZ 3.7Å
168L53.9Low61.3Low0 Ų020 Ų200%010%0.099CC..G310 helixtrans-100.911-159.1-43174.3000111.7A165 A166 A170 F171 A176 A179 L180 L183 M266A165-L168 VanDerWaalsContact O-CB 3.26Å; A165-L168 WeakPolarHBondContact O-CB 3.45Å; A165-L168 WeakPolarHBondContact O-CG 3.24Å; A165-L168 PolarHBondContact O-N 3.5Å; A166-L168 PolarHBondContact O-N 2.92Å; L168-A170 PolarHBondContact O-N 3Å; L168-A170 VanDerWaalsContact O-N 3.17Å; L168-F171 HydrophobicContact CB-CD2 3.79Å; L168-F171 HydrophobicContact CB-CE2 4.19Å; L168-F171 HydrophobicContact CD2-CD2 4.38Å; L168-F171 HydrophobicContact CD2-CE2 3.9Å; L168-F171 WeakPolarHBondContact O-CB 3.35Å; L168-F171 VanDerWaalsContact O-CD2 3.27Å; L168-F171 WeakPolarHBondContact O-CD2 3.33Å; L168-F171 PolarHBondContact O-N 3.36Å; L168-A176 HydrophobicContact CB-CB 3.76Å; L168-A176 WeakPolarHBondContact CD1-O 3.4Å; L168-A176 WeakPolarHBondContact O-CB 3.46Å; L168-A179 HydrophobicContact CD1-CB 3.88Å; L168-A179 HydrophobicContact CD2-CB 3.84Å; L168-A179 HydrophobicContact CG-CB 4.33Å; L168-L180 HydrophobicContact CD1-CB 3.58Å; L168-L183 HydrophobicContact CD2-CD1 4.05Å; L168-M266 HydrophobicContact CD2-CE 4.49Å
169F54.5Low63.1Low20 Ų2012.8 Ų12.89%0.0887%0.072CC..G310 helixtrans-69.6-1.7167.1-53.1-39.3000114.2Y122 F128 L137 I141 I144 A166 F171Y122-F169 HydrophobicContact CE2-CE2 4.5Å; F128-F169 HydrophobicContact CZ-CE2 4.31Å; L137-F169 HydrophobicContact CD1-CD1 4.25Å; L137-F169 HydrophobicContact CD1-CD2 4.33Å; L137-F169 HydrophobicContact CD1-CG 4.2Å; I141-F169 HydrophobicContact CB-CE1 4.27Å; I141-F169 HydrophobicContact CB-CZ 3.94Å; I141-F169 HydrophobicContact CD1-CE1 4.5Å; I141-F169 HydrophobicContact CD1-CE2 3.98Å; I141-F169 HydrophobicContact CD1-CZ 3.58Å; I141-F169 HydrophobicContact CG1-CE1 3.81Å; I141-F169 HydrophobicContact CG1-CE2 4.18Å; I141-F169 HydrophobicContact CG1-CZ 3.33Å; I141-F169 HydrophobicContact CG2-CE1 4.32Å; I141-F169 HydrophobicContact CG2-CZ 3.75Å; I144-F169 HydrophobicContact CD1-CE1 4.41Å; A166-F169 VanDerWaalsContact CA-CZ 3.46Å; A166-F169 HydrophobicContact CB-CD2 4.45Å; A166-F169 HydrophobicContact CB-CE2 3.57Å; A166-F169 HydrophobicContact CB-CZ 3.76Å; A166-F169 WeakPolarHBondContact O-CD2 3.2Å; A166-F169 WeakPolarHBondContact O-CE2 3.44Å; A166-F169 WeakPolarHBondContact O-CG 3.22Å; A166-F169 PolarHBondContact O-N 3Å; F169-F171 PolarHBondContact O-N 3.5Å
170A58.2Low64.7Low28 Ų2812 Ų1223%0.2317%0.067CC..G310 helixtrans-63.8-19.7159.600000111.9A79 L168A79-A170 HydrophobicContact CB-CB 3.95Å; A79-A170 WeakPolarHBondContact CB-O 3.35Å; L168-A170 PolarHBondContact O-N 3Å; L168-A170 VanDerWaalsContact O-N 3.17Å
171F68.5Low66.4Low25 Ų2512.6 Ų12.611%0.117%0.07CC..SBendtrans-112.6165.9-175.7-51.3-81.4000113.2A79 W82 R83 I88 L168 F169 D175 A176 A179A79-F171 WeakPolarHBondContact O-CE1 3.3Å; W82-F171 HydrophobicContact CB-CE1 4.33Å; W82-F171 HydrophobicContact CB-CE2 4.43Å; W82-F171 HydrophobicContact CB-CZ 3.6Å; W82-F171 HydrophobicContact CE3-CE2 4.4Å; R83-F171 HydrophobicContact CB-CD1 4.49Å; R83-F171 HydrophobicContact CB-CE1 3.79Å; I88-F171 HydrophobicContact CD1-CD1 4.06Å; I88-F171 HydrophobicContact CD1-CE1 3.49Å; I88-F171 VanDerWaalsContact CD1-CE1 3.49Å; I88-F171 HydrophobicContact CD1-CE2 4.37Å; I88-F171 HydrophobicContact CD1-CZ 3.66Å; L168-F171 HydrophobicContact CB-CD2 3.79Å; L168-F171 HydrophobicContact CB-CE2 4.19Å; L168-F171 HydrophobicContact CD2-CD2 4.38Å; L168-F171 HydrophobicContact CD2-CE2 3.9Å; L168-F171 WeakPolarHBondContact O-CB 3.35Å; L168-F171 VanDerWaalsContact O-CD2 3.27Å; L168-F171 WeakPolarHBondContact O-CD2 3.33Å; L168-F171 PolarHBondContact O-N 3.36Å; F169-F171 PolarHBondContact O-N 3.5Å; F171-D175 HydrophobicContact CB-CB 3.59Å; F171-D175 HydrophobicContact CD1-CB 4.07Å; F171-D175 HydrophobicContact CG-CB 4.07Å; F171-A176 HydrophobicContact CB-CB 4.26Å; F171-A179 HydrophobicContact CD2-CB 4.37Å; F171-A179 HydrophobicContact CE2-CB 3.88Å; F171-A179 HydrophobicContact CZ-CB 4.31Å
172D77.7Confident68.4Low62 Ų6212.6 Ų12.633%0.3327%0.07SC..  trans-66.2163.6162.8-69-45.2000112.1S174 D175 A176 Q377D172-S174 VanDerWaalsContact C-N 3.3Å; D172-S174 PolarHBondContact O-N 3.12Å; D172-S174 VanDerWaalsContact O-N 3.14Å; D172-D175 PolarHBondContact O-N 3.03Å; D172-A176 VanDerWaalsContact O-CB 3.32Å; D172-A176 WeakPolarHBondContact O-CB 3.15Å; D172-A176 PolarHBondContact O-N 3.4Å; D172-Q377 PolarHBondContact OD1-NE2 2.96Å; D172-Q377 PolarHBondContact OD2-NE2 3.45Å
173Q82Confident70.3Confident17 Ų1711.9 Ų11.98%0.0797%0.067CC..Hα-helixtrans-47.6-47.2-176.4-63.9-153.1-22.200114.8Y97 T140 A176 F177 Y373Y97-Q173 HydrophobicContact CE1-CB 3.75Å; Y97-Q173 PolarHBondContact OH-OE1 3.1Å; T140-Q173 HydrophobicContact CG2-CG 3.81Å; T140-Q173 PolarHBondContact OG1-NE2 2.93Å; Q173-A176 PolarHBondContact O-N 3.06Å; Q173-F177 PolarHBondContact O-N 2.89Å; Q173-Y373 HydrophobicContact CG-CE1 4.12Å; Q173-Y373 VanDerWaalsContact CG-OH 3.29Å; Q173-Y373 WeakPolarHBondContact CG-OH 3.16Å; Q173-Y373 PolarHBondContact NE2-OH 3.34Å
174S86.5Confident71.9Confident39 Ų3911.7 Ų11.727%0.2737%0.066SC..Hα-helixtrans-68.9-52.4-175.9-174.40000110.3D172 A176 F177 W178D172-S174 VanDerWaalsContact C-N 3.3Å; D172-S174 PolarHBondContact O-N 3.12Å; D172-S174 VanDerWaalsContact O-N 3.14Å; S174-A176 PolarHBondContact O-N 2.95Å; S174-F177 WeakPolarHBondContact O-CB 3.22Å; S174-F177 PolarHBondContact O-N 3.26Å; S174-F177 VanDerWaalsContact O-N 3.12Å; S174-W178 PolarHBondContact O-N 3.12Å
175D86.8Confident73.6Confident18 Ų1813.1 Ų13.110%0.0968%0.076CC..Hα-helixtrans-57-36174.8-74.758.6000112.6R83 K92 F171 D172 W178 A179R83-D175 WeakPolarHBondContact CD-OD2 3.45Å; R83-D175 IonicContact NE-OD2 2.64Å; K92-D175 WeakPolarHBondContact CE-OD1 3.48Å; K92-D175 WeakPolarHBondContact CE-OD2 3.25Å; K92-D175 IonicContact NZ-OD1 3.71Å; K92-D175 PolarHBondContact NZ-OD1 3.41Å; K92-D175 IonicContact NZ-OD2 3.57Å; K92-D175 PolarHBondContact NZ-OD2 2.64Å; F171-D175 HydrophobicContact CB-CB 3.59Å; F171-D175 HydrophobicContact CD1-CB 4.07Å; F171-D175 HydrophobicContact CG-CB 4.07Å; D172-D175 PolarHBondContact O-N 3.03Å; D175-W178 PolarHBondContact O-N 3.14Å; D175-A179 VanDerWaalsContact O-CB 3.29Å; D175-A179 WeakPolarHBondContact O-CB 3.47Å; D175-A179 PolarHBondContact O-N 3.38Å
176A83.5Confident75.5Confident0 Ų014.9 Ų14.90%09%0.085CC..Hα-helixtrans-67.8-44.2174.400000112.6I144 L168 F171 D172 Q173 S174 L180I144-A176 HydrophobicContact CD1-CB 3.73Å; I144-A176 HydrophobicContact CG1-CB 4.44Å; L168-A176 HydrophobicContact CB-CB 3.76Å; L168-A176 WeakPolarHBondContact CD1-O 3.4Å; L168-A176 WeakPolarHBondContact O-CB 3.46Å; F171-A176 HydrophobicContact CB-CB 4.26Å; D172-A176 VanDerWaalsContact O-CB 3.32Å; D172-A176 WeakPolarHBondContact O-CB 3.15Å; D172-A176 PolarHBondContact O-N 3.4Å; Q173-A176 PolarHBondContact O-N 3.06Å; S174-A176 PolarHBondContact O-N 2.95Å; A176-L180 PolarHBondContact O-N 3.17Å; A176-L180 VanDerWaalsContact O-N 3.12Å
177F84.9Confident77.6Confident2 Ų221.8 Ų21.81%0.00912%0.122CC..Hα-helixtrans-59.6-47171.6165-91.5000111.5Y97 L100 I144 A148 C151 Q173 S174 L180 H181Y97-F177 HydrophobicContact CD2-CB 3.5Å; Y97-F177 AromaticContact CD2-CD1 3.83Å; Y97-F177 HydrophobicContact CD2-CD1 3.83Å; Y97-F177 AromaticContact CD2-CD2 3.92Å; Y97-F177 HydrophobicContact CD2-CD2 3.92Å; Y97-F177 AromaticContact CD2-CG 3.44Å; Y97-F177 HydrophobicContact CD2-CG 3.44Å; Y97-F177 VanDerWaalsContact CD2-CG 3.44Å; Y97-F177 HydrophobicContact CE2-CB 3.72Å; Y97-F177 HydrophobicContact CE2-CD2 4.3Å; Y97-F177 HydrophobicContact CE2-CG 4.03Å; Y97-F177 HydrophobicContact CG-CB 4.31Å; Y97-F177 HydrophobicContact CG-CD1 4.33Å; Y97-F177 HydrophobicContact CG-CG 4.32Å; L100-F177 HydrophobicContact CD1-CE1 4.05Å; L100-F177 HydrophobicContact CD1-CE2 3.96Å; L100-F177 HydrophobicContact CD1-CZ 3.38Å; I144-F177 HydrophobicContact CG2-CB 4.2Å; A148-F177 HydrophobicContact CB-CD2 4.49Å; C151-F177 HydrophobicContact CB-CE2 3.94Å; C151-F177 HydrophobicContact CB-CZ 3.95Å; Q173-F177 PolarHBondContact O-N 2.89Å; S174-F177 WeakPolarHBondContact O-CB 3.22Å; S174-F177 PolarHBondContact O-N 3.26Å; S174-F177 VanDerWaalsContact O-N 3.12Å; F177-L180 WeakPolarHBondContact O-CB 3.22Å; F177-L180 PolarHBondContact O-N 2.96Å; F177-H181 PolarHBondContact O-N 3.27Å
178W87.8Confident79.5Confident5 Ų524.1 Ų24.12%0.01914%0.141CC..Hα-helixtrans-67.1-42.4-178.5-78.1106.6000112.2I88 Q91 K92 V93 T96 S174 D175 L180 H181 I182 V347I88-W178 HydrophobicContact CG2-CB 3.58Å; Q91-W178 WeakPolarHBondContact O-CZ3 3.3Å; K92-W178 HydrophobicContact CG-CB 4.44Å; K92-W178 HydrophobicContact CG-CD2 4.27Å; K92-W178 HydrophobicContact CG-CG 3.86Å; V93-W178 HydrophobicContact CB-CH2 3.94Å; V93-W178 HydrophobicContact CB-CZ2 4.01Å; V93-W178 HydrophobicContact CG2-CH2 3.97Å; V93-W178 WeakPolarHBondContact O-CZ2 3.32Å; T96-W178 HydrophobicContact CG2-CZ2 4.3Å; S174-W178 PolarHBondContact O-N 3.12Å; D175-W178 PolarHBondContact O-N 3.14Å; W178-L180 VanDerWaalsContact C-N 3.28Å; W178-L180 PolarHBondContact O-N 2.97Å; W178-H181 PolarHBondContact O-N 3.26Å; W178-I182 WeakPolarHBondContact O-CB 3.44Å; W178-I182 VanDerWaalsContact O-CD1 3.29Å; W178-I182 WeakPolarHBondContact O-CD1 3.38Å; W178-I182 WeakPolarHBondContact O-CG1 3.44Å; W178-I182 PolarHBondContact O-N 3.09Å; W178-V347 HydrophobicContact CH2-CG1 3.96Å; W178-V347 HydrophobicContact CZ3-CG1 4.22Å
179A86.8Confident81Confident0 Ų024.5 Ų24.50%014%0.143CC..Hα-helixtrans-59.9-37.1173.400000112.5L86 I88 L168 F171 D175 L183L86-A179 HydrophobicContact CD1-CB 3.68Å; I88-A179 HydrophobicContact CD1-CB 3.76Å; I88-A179 HydrophobicContact CG1-CB 4.48Å; L168-A179 HydrophobicContact CD1-CB 3.88Å; L168-A179 HydrophobicContact CD2-CB 3.84Å; L168-A179 HydrophobicContact CG-CB 4.33Å; F171-A179 HydrophobicContact CD2-CB 4.37Å; F171-A179 HydrophobicContact CE2-CB 3.88Å; F171-A179 HydrophobicContact CZ-CB 4.31Å; D175-A179 VanDerWaalsContact O-CB 3.29Å; D175-A179 WeakPolarHBondContact O-CB 3.47Å; D175-A179 PolarHBondContact O-N 3.38Å; A179-L183 VanDerWaalsContact O-CB 3.32Å; A179-L183 WeakPolarHBondContact O-CB 3.27Å; A179-L183 WeakPolarHBondContact O-CD1 3.39Å; A179-L183 WeakPolarHBondContact O-CG 3.4Å; A179-L183 PolarHBondContact O-N 2.79Å
180L82.1Confident82.4Confident1 Ų124.2 Ų24.21%0.00514%0.144CC..Hα-helixtrans-64.9-48.2175.1179.266.2000110.9A148 V161 Q164 A165 L168 A176 F177 W178 I182 L183 M184A148-L180 HydrophobicContact CB-CD2 3.52Å; V161-L180 HydrophobicContact CG1-CD1 4.42Å; Q164-L180 HydrophobicContact CB-CD1 3.83Å; A165-L180 HydrophobicContact CB-CD1 4.36Å; A165-L180 HydrophobicContact CB-CD2 3.75Å; L168-L180 HydrophobicContact CD1-CB 3.58Å; A176-L180 PolarHBondContact O-N 3.17Å; A176-L180 VanDerWaalsContact O-N 3.12Å; F177-L180 WeakPolarHBondContact O-CB 3.22Å; F177-L180 PolarHBondContact O-N 2.96Å; W178-L180 VanDerWaalsContact C-N 3.28Å; W178-L180 PolarHBondContact O-N 2.97Å; L180-I182 VanDerWaalsContact C-N 3.33Å; L180-I182 PolarHBondContact O-N 2.71Å; L180-L183 PolarHBondContact O-N 3.38Å; L180-M184 HydrophobicContact CD1-CG 4.29Å; L180-M184 HydrophobicContact CG-CG 4.42Å; L180-M184 WeakPolarHBondContact O-CB 3.43Å; L180-M184 VanDerWaalsContact O-CG 3.24Å; L180-M184 WeakPolarHBondContact O-CG 3.33Å; L180-M184 PolarHBondContact O-N 3.22Å
181H83.4Confident83.4Confident24 Ų2422.9 Ų22.911%0.11113%0.133CC..Hα-helixtrans-57.1-47.1177.8170.464.5000111.3F177 W178 L183 M184 C185 V347F177-H181 PolarHBondContact O-N 3.27Å; W178-H181 PolarHBondContact O-N 3.26Å; H181-L183 PolarHBondContact O-N 3.29Å; H181-M184 WeakPolarHBondContact O-CB 3.48Å; H181-M184 PolarHBondContact O-N 2.82Å; H181-C185 PolarHBondContact CE1-SG 3.02Å; H181-C185 VanDerWaalsContact O-CB 3.3Å; H181-C185 WeakPolarHBondContact O-CB 3.41Å; H181-C185 PolarHBondContact O-N 3.16Å; H181-C185 PolarHBondContact O-SG 3.15Å; H181-V347 WeakPolarHBondContact CE1-CG2 3.5Å; H181-V347 WeakPolarHBondContact NE2-CG2 3.35Å
182I86.8Confident83.9Confident1 Ų121.8 Ų21.81%0.00513%0.128CC..Hα-helixtrans-62.1-47.4179.7-63.9159.6000110.9L86 I88 Q91 W178 L180 M184 C185 D186L86-I182 HydrophobicContact CB-CD1 4.42Å; L86-I182 HydrophobicContact CB-CG2 4.2Å; L86-I182 HydrophobicContact CD2-CG2 4.21Å; I88-I182 HydrophobicContact CB-CD1 4.35Å; I88-I182 HydrophobicContact CG1-CD1 4.13Å; I88-I182 HydrophobicContact CG2-CD1 4.43Å; Q91-I182 HydrophobicContact CB-CD1 4.02Å; Q91-I182 HydrophobicContact CB-CG1 4.3Å; Q91-I182 HydrophobicContact CG-CD1 4.4Å; W178-I182 WeakPolarHBondContact O-CB 3.44Å; W178-I182 VanDerWaalsContact O-CD1 3.29Å; W178-I182 WeakPolarHBondContact O-CD1 3.38Å; W178-I182 WeakPolarHBondContact O-CG1 3.44Å; W178-I182 PolarHBondContact O-N 3.09Å; L180-I182 VanDerWaalsContact C-N 3.33Å; L180-I182 PolarHBondContact O-N 2.71Å; I182-M184 VanDerWaalsContact C-N 3.27Å; I182-M184 PolarHBondContact O-N 3.43Å; I182-C185 PolarHBondContact O-N 3.35Å; I182-D186 HydrophobicContact CG2-CB 4.24Å; I182-D186 VanDerWaalsContact O-CB 3.24Å; I182-D186 WeakPolarHBondContact O-CB 3.32Å; I182-D186 VanDerWaalsContact O-CG 3.24Å; I182-D186 PolarHBondContact O-N 2.81Å
183L85.1Confident83.8Confident0 Ų018.8 Ų18.80%011%0.112CC..Hα-helixtrans-61.8-35.1177.4-73.7170.3000112.9L86 L168 A179 L180 H181 H189 M191 W262 Y265 M266L86-L183 HydrophobicContact CD1-CD1 4.35Å; L86-L183 HydrophobicContact CD1-CD2 4.44Å; L86-L183 HydrophobicContact CD1-CG 4.13Å; L86-L183 HydrophobicContact CD2-CD2 3.85Å; L86-L183 HydrophobicContact CD2-CG 4.24Å; L168-L183 HydrophobicContact CD2-CD1 4.05Å; A179-L183 VanDerWaalsContact O-CB 3.32Å; A179-L183 WeakPolarHBondContact O-CB 3.27Å; A179-L183 WeakPolarHBondContact O-CD1 3.39Å; A179-L183 WeakPolarHBondContact O-CG 3.4Å; A179-L183 PolarHBondContact O-N 2.79Å; L180-L183 PolarHBondContact O-N 3.38Å; H181-L183 PolarHBondContact O-N 3.29Å; L183-H189 HydrophobicContact CD2-CB 4.09Å; L183-H189 WeakPolarHBondContact O-CB 2.98Å; L183-M191 HydrophobicContact CB-CE 4.44Å; L183-M191 HydrophobicContact CB-SD 3.68Å; L183-M191 HydrophobicContact CD2-CE 4.44Å; L183-M191 WeakPolarHBondContact O-CB 3.43Å; L183-M191 VanDerWaalsContact O-CG 3.22Å; L183-M191 WeakPolarHBondContact O-CG 3.37Å; L183-M191 PolarHBondContact O-N 2.8Å; L183-W262 HydrophobicContact CD1-CZ3 4.29Å; L183-Y265 HydrophobicContact CD2-CD1 4.32Å; L183-Y265 HydrophobicContact CD2-CE1 3.99Å; L183-M266 HydrophobicContact CD1-CE 4.17Å; L183-M266 HydrophobicContact CD1-SD 4.33Å; L183-M266 HydrophobicContact CD2-SD 3.78Å
184M79.6Confident83.5Confident0 Ų018 Ų180%011%0.109CC..Hα-helixtrans-67.8-48.9173.8-75.8-66.8-66.700112.2L152 V156 V161 L180 H181 I182 A190 M191 H192 F195L152-M184 HydrophobicContact CD1-CB 4.45Å; L152-M184 HydrophobicContact CD1-CE 4.14Å; L152-M184 HydrophobicContact CD1-CG 4.22Å; V156-M184 HydrophobicContact CG2-CE 3.91Å; V161-M184 HydrophobicContact CG1-CE 4.28Å; V161-M184 HydrophobicContact CG1-SD 4.12Å; V161-M184 HydrophobicContact CG2-CE 3.48Å; V161-M184 VanDerWaalsContact CG2-CE 3.48Å; V161-M184 HydrophobicContact CG2-SD 3.67Å; L180-M184 HydrophobicContact CD1-CG 4.29Å; L180-M184 HydrophobicContact CG-CG 4.42Å; L180-M184 WeakPolarHBondContact O-CB 3.43Å; L180-M184 VanDerWaalsContact O-CG 3.24Å; L180-M184 WeakPolarHBondContact O-CG 3.33Å; L180-M184 PolarHBondContact O-N 3.22Å; H181-M184 WeakPolarHBondContact O-CB 3.48Å; H181-M184 PolarHBondContact O-N 2.82Å; I182-M184 VanDerWaalsContact C-N 3.27Å; I182-M184 PolarHBondContact O-N 3.43Å; M184-A190 CarbonylContact O-C 3.6Å; M184-M191 PolarHBondContact O-N 3.21Å; M184-M191 HydrophobicContact SD-CB 3.92Å; M184-H192 HydrophobicContact CE-CB 4Å; M184-H192 WeakPolarHBondContact O-CB 3.5Å; M184-H192 PolarHBondContact O-N 3.22Å; M184-F195 HydrophobicContact CE-CD2 4.27Å; M184-F195 HydrophobicContact SD-CD2 4.01Å; M184-F195 HydrophobicContact SD-CE2 4.41Å
185C82.2Confident82.7Confident31 Ų3116.2 Ų16.221%0.20910%0.096CC..Hα-helixtrans-107.9-15.7-159.7-61.40000115.4H181 I182 P343H181-C185 PolarHBondContact CE1-SG 3.02Å; H181-C185 VanDerWaalsContact O-CB 3.3Å; H181-C185 WeakPolarHBondContact O-CB 3.41Å; H181-C185 PolarHBondContact O-N 3.16Å; H181-C185 PolarHBondContact O-SG 3.15Å; I182-C185 PolarHBondContact O-N 3.35Å; C185-P343 HydrophobicContact CB-CG 3.85Å; C185-P343 VanDerWaalsContact SG-CG 3.59Å
186D85.8Confident82Confident37 Ų3716.6 Ų16.620%0.19810%0.097CC..SBendtrans-72.4161.217885.210.7000112.8I182 A188 H189 A190I182-D186 HydrophobicContact CG2-CB 4.24Å; I182-D186 VanDerWaalsContact O-CB 3.24Å; I182-D186 WeakPolarHBondContact O-CB 3.32Å; I182-D186 VanDerWaalsContact O-CG 3.24Å; I182-D186 PolarHBondContact O-N 2.81Å; D186-A188 VanDerWaalsContact C-N 3.3Å; D186-A188 PolarHBondContact O-N 3.2Å; D186-A188 PolarHBondContact OD1-N 3.35Å; D186-H189 VanDerWaalsContact CG-ND1 3.29Å; D186-H189 WeakPolarHBondContact OD1-CB 3.13Å; D186-H189 IonicContact OD1-CG 2.88Å; D186-H189 PolarHBondContact OD1-N 3.11Å; D186-H189 IonicContact OD1-ND1 3.07Å; D186-H189 PolarHBondContact OD1-ND1 3.44Å; D186-H189 IonicContact OD2-CE1 3.05Å; D186-H189 PolarHBondContact OD2-CE1 2.82Å; D186-H189 IonicContact OD2-CG 2.8Å; D186-H189 IonicContact OD2-ND1 2.59Å; D186-H189 PolarHBondContact OD2-ND1 3.21Å; D186-A190 WeakPolarHBondContact O-CA 3.06Å; D186-A190 WeakPolarHBondContact O-CB 3.42Å; D186-A190 PolarHBondContact O-N 3.18Å; D186-A190 PolarHBondContact OD1-N 3.35Å
187N86.5Confident81.3Confident148 Ų14820.4 Ų20.479%0.79112%0.122SC*.THydrogen-bonded Turntrans-78.3-8.6-179.2-73-54.1000114.4
188A87.9Confident80.6Confident49 Ų4923.2 Ų23.241%0.40515%0.152SC..THydrogen-bonded Turntrans-92.3-43.5-174.100000111.8D186 G269 D270D186-A188 VanDerWaalsContact C-N 3.3Å; D186-A188 PolarHBondContact O-N 3.2Å; D186-A188 PolarHBondContact OD1-N 3.35Å; A188-G269 CarbonylContact O-C 3.56Å; A188-G269 WeakPolarHBondContact O-CA 3.18Å; A188-D270 PolarHBondContact O-N 3.03Å
189H85Confident80Confident7 Ų725.5 Ų25.53%0.03216%0.162CC..THydrogen-bonded Turntrans-97.2-43177.5-49.797.7000109.6L183 D186 M191 K201 Y265L183-H189 HydrophobicContact CD2-CB 4.09Å; L183-H189 WeakPolarHBondContact O-CB 2.98Å; D186-H189 VanDerWaalsContact CG-ND1 3.29Å; D186-H189 WeakPolarHBondContact OD1-CB 3.13Å; D186-H189 IonicContact OD1-CG 2.88Å; D186-H189 PolarHBondContact OD1-N 3.11Å; D186-H189 IonicContact OD1-ND1 3.07Å; D186-H189 PolarHBondContact OD1-ND1 3.44Å; D186-H189 IonicContact OD2-CE1 3.05Å; D186-H189 PolarHBondContact OD2-CE1 2.82Å; D186-H189 IonicContact OD2-CG 2.8Å; D186-H189 IonicContact OD2-ND1 2.59Å; D186-H189 PolarHBondContact OD2-ND1 3.21Å; H189-M191 HydrophobicContact CB-CG 4.43Å; H189-M191 PolarHBondContact O-N 3.04Å; H189-K201 PolarHBondContact O-NZ 3.18Å; H189-Y265 HydrophobicContact CB-CE1 3.91Å; H189-Y265 WeakPolarHBondContact CB-OH 3.07Å; H189-Y265 AromaticContact CD2-CD1 3.6Å; H189-Y265 AromaticContact CD2-CE1 3.3Å; H189-Y265 WeakPolarHBondContact CD2-CE1 3.47Å; H189-Y265 AromaticContact CD2-CZ 3.8Å; H189-Y265 PolarHBondContact CD2-O 3.21Å; H189-Y265 AromaticContact CG-CE1 3.89Å; H189-Y265 PolarHBondContact NE2-O 3.14Å; H189-Y265 VanDerWaalsContact NE2-O 3.12Å; H189-Y265 PolarHBondContact O-OH 3.31Å
190A82.3Confident79.7Confident15 Ų1526.8 Ų26.812%0.12417%0.17CC..  trans39.547.6177.400000112.1M184 D186 H192 K201M184-A190 CarbonylContact O-C 3.6Å; D186-A190 WeakPolarHBondContact O-CA 3.06Å; D186-A190 WeakPolarHBondContact O-CB 3.42Å; D186-A190 PolarHBondContact O-N 3.18Å; D186-A190 PolarHBondContact OD1-N 3.35Å; A190-H192 PolarHBondContact O-N 3.22Å; A190-K201 VanDerWaalsContact CB-NZ 3.33Å; A190-K201 WeakPolarHBondContact O-CD 3.34Å; A190-K201 PolarHBondContact O-NZ 2.77Å
191M80.8Confident79.7Confident0 Ų026.8 Ų26.80%017%0.17CC..G310 helixtrans-63.2-29.1-172-73.6177.8159.900111.8Q164 L183 M184 H189 G193 F194 F195 L242 W262 Y265Q164-M191 PolarHBondContact OE1-SD 3.27Å; L183-M191 HydrophobicContact CB-CE 4.44Å; L183-M191 HydrophobicContact CB-SD 3.68Å; L183-M191 HydrophobicContact CD2-CE 4.44Å; L183-M191 WeakPolarHBondContact O-CB 3.43Å; L183-M191 VanDerWaalsContact O-CG 3.22Å; L183-M191 WeakPolarHBondContact O-CG 3.37Å; L183-M191 PolarHBondContact O-N 2.8Å; M184-M191 PolarHBondContact O-N 3.21Å; M184-M191 HydrophobicContact SD-CB 3.92Å; H189-M191 HydrophobicContact CB-CG 4.43Å; H189-M191 PolarHBondContact O-N 3.04Å; M191-G193 VanDerWaalsContact C-N 3.33Å; M191-G193 PolarHBondContact O-N 3.34Å; M191-F194 WeakPolarHBondContact O-CB 3.26Å; M191-F194 PolarHBondContact O-N 2.99Å; M191-F195 HydrophobicContact CB-CE2 4.11Å; M191-F195 WeakPolarHBondContact O-CD2 3.4Å; M191-F195 WeakPolarHBondContact O-CE2 3.07Å; M191-L242 HydrophobicContact CE-CB 4.45Å; M191-L242 HydrophobicContact CE-CD1 3.51Å; M191-L242 HydrophobicContact CE-CD2 3.53Å; M191-L242 HydrophobicContact CE-CG 3.99Å; M191-L242 HydrophobicContact CG-CD1 3.91Å; M191-L242 HydrophobicContact SD-CD1 4.3Å; M191-W262 HydrophobicContact CE-CH2 3.43Å; M191-W262 VanDerWaalsContact CE-CH2 3.43Å; M191-W262 HydrophobicContact CE-CZ3 3.69Å; M191-Y265 HydrophobicContact CE-CD1 4.22Å; M191-Y265 HydrophobicContact CE-CE1 3.31Å; M191-Y265 WeakPolarHBondContact CG-OH 3.5Å
192H77.7Confident79.5Confident1 Ų126.7 Ų26.71%0.00517%0.17CC..G310 helixtrans-41.8-51.2-179.9166.563.9000114.6Y155 M184 A190 F194 F195 M196 E341 P343Y155-H192 AromaticContact CD1-CE1 3.12Å; Y155-H192 WeakPolarHBondContact CD1-CE1 3.47Å; Y155-H192 AromaticContact CD1-ND1 3.96Å; Y155-H192 AromaticContact CD1-NE2 3.82Å; Y155-H192 AromaticContact CE1-CE1 3.87Å; Y155-H192 AromaticContact CG-CE1 3.3Å; Y155-H192 AromaticContact CG-ND1 3.66Å; M184-H192 HydrophobicContact CE-CB 4Å; M184-H192 WeakPolarHBondContact O-CB 3.5Å; M184-H192 PolarHBondContact O-N 3.22Å; A190-H192 PolarHBondContact O-N 3.22Å; H192-F194 PolarHBondContact O-N 2.95Å; H192-F194 VanDerWaalsContact O-N 3.1Å; H192-F195 PolarHBondContact O-N 2.98Å; H192-M196 WeakPolarHBondContact CE1-CG 3.03Å; H192-M196 PolarHBondContact CE1-SD 3.24Å; H192-M196 WeakPolarHBondContact NE2-CG 2.99Å; H192-M196 PolarHBondContact O-N 3.48Å; H192-E341 PolarHBondContact CD2-O 3.02Å; H192-P343 HydrophobicContact CB-CG 4.18Å
193G76.2Confident79.2Confident0 Ų030.7 Ų30.70%019%0.192CC..G310 helixtrans-63.4-16.5-179.300000115.5M191 F195 K201 E341M191-G193 VanDerWaalsContact C-N 3.33Å; M191-G193 PolarHBondContact O-N 3.34Å; G193-F195 VanDerWaalsContact C-N 3.25Å; G193-K201 WeakPolarHBondContact O-CB 3.48Å; G193-K201 PolarHBondContact O-N 3.37Å; G193-E341 PolarHBondContact N-O 2.79Å
194F74.9Confident79.2Confident1 Ų132 Ų320%0.00420%0.197CC..G310 helixtrans-77.5-10.6172.1-69.1-64.1000112.9M191 H192 F199 K201 L202 F205 L242 L273M191-F194 WeakPolarHBondContact O-CB 3.26Å; M191-F194 PolarHBondContact O-N 2.99Å; H192-F194 PolarHBondContact O-N 2.95Å; H192-F194 VanDerWaalsContact O-N 3.1Å; F194-F199 WeakPolarHBondContact O-CD1 3.34Å; F194-K201 HydrophobicContact CD1-CB 3.83Å; F194-K201 HydrophobicContact CD1-CD 4.26Å; F194-K201 HydrophobicContact CD1-CG 3.84Å; F194-K201 HydrophobicContact CD2-CD 3.76Å; F194-K201 HydrophobicContact CD2-CG 4.26Å; F194-K201 HydrophobicContact CE1-CB 4.07Å; F194-K201 HydrophobicContact CE1-CD 4.11Å; F194-K201 HydrophobicContact CE1-CG 3.6Å; F194-K201 HydrophobicContact CE2-CD 3.58Å; F194-K201 VanDerWaalsContact CE2-CE 3.45Å; F194-K201 HydrophobicContact CE2-CG 4.04Å; F194-K201 HydrophobicContact CG-CB 4.13Å; F194-K201 HydrophobicContact CG-CD 4.08Å; F194-K201 HydrophobicContact CG-CG 4.15Å; F194-K201 HydrophobicContact CZ-CD 3.76Å; F194-K201 HydrophobicContact CZ-CG 3.7Å; F194-L202 HydrophobicContact CD1-CB 4.35Å; F194-F205 HydrophobicContact CE1-CB 4.28Å; F194-F205 HydrophobicContact CE1-CD2 4.21Å; F194-F205 HydrophobicContact CE1-CG 4.08Å; F194-F205 HydrophobicContact CZ-CD1 4.15Å; F194-F205 HydrophobicContact CZ-CD2 4.14Å; F194-F205 HydrophobicContact CZ-CE1 4.3Å; F194-F205 HydrophobicContact CZ-CE2 4.3Å; F194-F205 HydrophobicContact CZ-CG 4.07Å; F194-F205 HydrophobicContact CZ-CZ 4.39Å; F194-L242 HydrophobicContact CD2-CD1 4.37Å; F194-L242 HydrophobicContact CE2-CD1 4.43Å; F194-L273 HydrophobicContact CE2-CD1 3.5Å; F194-L273 VanDerWaalsContact CE2-CD1 3.5Å; F194-L273 HydrophobicContact CZ-CD1 3.49Å; F194-L273 VanDerWaalsContact CZ-CD1 3.49Å
195F70.7Confident79.5Confident1 Ų132.1 Ų32.10%0.00420%0.197CC..THydrogen-bonded Turntrans-118.5-10.9-172.8-60.2-63.7000114.3V156 H157 Q160 V161 Q164 M184 M191 H192 G193 L243V156-F195 WeakPolarHBondContact CA-O 3.44Å; V156-F195 HydrophobicContact CB-CB 4.37Å; V156-F195 HydrophobicContact CG1-CB 4.08Å; V156-F195 HydrophobicContact CG2-CB 3.94Å; H157-F195 PolarHBondContact N-O 3.31Å; Q160-F195 HydrophobicContact CB-CD1 3.62Å; Q160-F195 HydrophobicContact CB-CE1 3.92Å; V161-F195 HydrophobicContact CG2-CB 3.75Å; V161-F195 HydrophobicContact CG2-CD1 4.05Å; V161-F195 HydrophobicContact CG2-CD2 3.59Å; V161-F195 HydrophobicContact CG2-CE2 4.34Å; V161-F195 HydrophobicContact CG2-CG 3.46Å; V161-F195 VanDerWaalsContact CG2-CG 3.46Å; Q164-F195 VanDerWaalsContact CD-CZ 3.49Å; Q164-F195 VanDerWaalsContact OE1-CZ 3.32Å; M184-F195 HydrophobicContact CE-CD2 4.27Å; M184-F195 HydrophobicContact SD-CD2 4.01Å; M184-F195 HydrophobicContact SD-CE2 4.41Å; M191-F195 HydrophobicContact CB-CE2 4.11Å; M191-F195 WeakPolarHBondContact O-CD2 3.4Å; M191-F195 WeakPolarHBondContact O-CE2 3.07Å; H192-F195 PolarHBondContact O-N 2.98Å; G193-F195 VanDerWaalsContact C-N 3.25Å; F195-L243 HydrophobicContact CE1-CD1 3.88Å; F195-L243 HydrophobicContact CE1-CD2 3.7Å; F195-L243 HydrophobicContact CE1-CG 3.91Å; F195-L243 HydrophobicContact CZ-CD2 3.83Å; F195-L243 HydrophobicContact CZ-CG 4.19Å
196M71.4Confident79.5Confident25 Ų2532.3 Ų32.312%0.12320%0.195CC..SBendtrans-62.7152.7173.7-78.9-63.4-95.500112.7Y155 H192 G198 F199 P200Y155-M196 HydrophobicContact CD1-CE 4.09Å; Y155-M196 HydrophobicContact CD1-SD 3.99Å; H192-M196 WeakPolarHBondContact CE1-CG 3.03Å; H192-M196 PolarHBondContact CE1-SD 3.24Å; H192-M196 WeakPolarHBondContact NE2-CG 2.99Å; H192-M196 PolarHBondContact O-N 3.48Å; M196-G198 PolarHBondContact O-N 3.06Å; M196-F199 WeakPolarHBondContact O-CA 3.34Å; M196-F199 PolarHBondContact O-N 2.74Å; M196-P200 HydrophobicContact CB-CG 4.07Å
197P69Low79.5Confident80 Ų8036.3 Ų36.352%0.51921%0.212SC..THydrogen-bonded Turntrans-49.7137.2172.6-28.236.7000112.8F199P197-F199 PolarHBondContact O-N 3.23Å
198G71.1Confident79.7Confident61 Ų6130.1 Ų30.163%0.62918%0.179SC*.THydrogen-bonded Turntrans74.7-5.6-172.500000115.5M196M196-G198 PolarHBondContact O-N 3.06Å
199F75.5Confident79.6Confident54 Ų5428 Ų2824%0.23716%0.16CC..  trans53.153.9178.4-47.4-73.5000114.1H157 Q160 F194 M196 P197 K201 L202 L203 I239H157-F199 AromaticContact CD2-CZ 3.79Å; Q160-F199 VanDerWaalsContact NE2-CE1 3.26Å; F194-F199 WeakPolarHBondContact O-CD1 3.34Å; M196-F199 WeakPolarHBondContact O-CA 3.34Å; M196-F199 PolarHBondContact O-N 2.74Å; P197-F199 PolarHBondContact O-N 3.23Å; F199-K201 PolarHBondContact O-N 2.9Å; F199-L202 HydrophobicContact CB-CB 3.75Å; F199-L202 HydrophobicContact CB-CD2 4.01Å; F199-L202 VanDerWaalsContact O-CB 3.26Å; F199-L202 WeakPolarHBondContact O-CB 3.28Å; F199-L202 PolarHBondContact O-N 2.96Å; F199-L203 PolarHBondContact O-N 2.96Å; F199-L203 VanDerWaalsContact O-N 3.13Å; F199-I239 HydrophobicContact CD1-CD1 3.94Å; F199-I239 HydrophobicContact CE1-CD1 4.46Å; F199-I239 HydrophobicContact CG-CD1 4.29Å
200P80.3Confident79.7Confident27 Ų2729.4 Ų29.418%0.17517%0.168CC..Hα-helixtrans-56.9-44.3-170.921.5-33.1000113.7M196 L202 L203 R204 L340 E341M196-P200 HydrophobicContact CB-CG 4.07Å; P200-L202 VanDerWaalsContact C-N 3.33Å; P200-L202 PolarHBondContact O-N 3.21Å; P200-L203 PolarHBondContact O-N 2.83Å; P200-R204 PolarHBondContact O-N 2.81Å; P200-R204 VanDerWaalsContact O-N 3.08Å; P200-L340 HydrophobicContact CG-CB 4.48Å; P200-E341 HydrophobicContact CB-CG 3.79Å; P200-E341 HydrophobicContact CG-CG 3.91Å
201K81.6Confident80.1Confident1 Ų130.7 Ų30.70%0.00418%0.178CC..Hα-helixtrans-67.1-33.2177.6-166.2170.6178.8175.80112.6H189 A190 G193 F194 F199 F205 D270 E341H189-K201 PolarHBondContact O-NZ 3.18Å; A190-K201 VanDerWaalsContact CB-NZ 3.33Å; A190-K201 WeakPolarHBondContact O-CD 3.34Å; A190-K201 PolarHBondContact O-NZ 2.77Å; G193-K201 WeakPolarHBondContact O-CB 3.48Å; G193-K201 PolarHBondContact O-N 3.37Å; F194-K201 HydrophobicContact CD1-CB 3.83Å; F194-K201 HydrophobicContact CD1-CD 4.26Å; F194-K201 HydrophobicContact CD1-CG 3.84Å; F194-K201 HydrophobicContact CD2-CD 3.76Å; F194-K201 HydrophobicContact CD2-CG 4.26Å; F194-K201 HydrophobicContact CE1-CB 4.07Å; F194-K201 HydrophobicContact CE1-CD 4.11Å; F194-K201 HydrophobicContact CE1-CG 3.6Å; F194-K201 HydrophobicContact CE2-CD 3.58Å; F194-K201 VanDerWaalsContact CE2-CE 3.45Å; F194-K201 HydrophobicContact CE2-CG 4.04Å; F194-K201 HydrophobicContact CG-CB 4.13Å; F194-K201 HydrophobicContact CG-CD 4.08Å; F194-K201 HydrophobicContact CG-CG 4.15Å; F194-K201 HydrophobicContact CZ-CD 3.76Å; F194-K201 HydrophobicContact CZ-CG 3.7Å; F199-K201 PolarHBondContact O-N 2.9Å; K201-F205 HydrophobicContact CD-CE2 4.24Å; K201-F205 HydrophobicContact CG-CD2 3.71Å; K201-F205 HydrophobicContact CG-CE2 3.74Å; K201-F205 WeakPolarHBondContact O-CB 3.46Å; K201-F205 VanDerWaalsContact O-CD2 3.24Å; K201-F205 WeakPolarHBondContact O-CD2 3.49Å; K201-F205 PolarHBondContact O-N 3.21Å; K201-D270 WeakPolarHBondContact CE-OD2 3.32Å; K201-D270 IonicContact NZ-OD2 2.77Å; K201-D270 PolarHBondContact NZ-OD2 3.41Å; K201-E341 WeakPolarHBondContact CA-OE2 3.39Å; K201-E341 HydrophobicContact CB-CG 4.26Å; K201-E341 WeakPolarHBondContact CB-OE2 3.5Å; K201-E341 VanDerWaalsContact CG-OE2 3.24Å; K201-E341 WeakPolarHBondContact CG-OE2 3.37Å
202L78.2Confident80.6Confident21 Ų2130.7 Ų30.711%0.1118%0.179CC..Hα-helixtrans-59.1-53.7173.9174.272.9000110F194 F199 P200 R204 F205 Q206 S235 I239F194-L202 HydrophobicContact CD1-CB 4.35Å; F199-L202 HydrophobicContact CB-CB 3.75Å; F199-L202 HydrophobicContact CB-CD2 4.01Å; F199-L202 VanDerWaalsContact O-CB 3.26Å; F199-L202 WeakPolarHBondContact O-CB 3.28Å; F199-L202 PolarHBondContact O-N 2.96Å; P200-L202 VanDerWaalsContact C-N 3.33Å; P200-L202 PolarHBondContact O-N 3.21Å; L202-R204 PolarHBondContact O-N 2.82Å; L202-F205 PolarHBondContact O-N 2.89Å; L202-Q206 WeakPolarHBondContact O-CB 3.47Å; L202-Q206 PolarHBondContact O-N 2.98Å; L202-S235 WeakPolarHBondContact CD1-O 3.44Å; L202-I239 HydrophobicContact CB-CD1 4.18Å; L202-I239 HydrophobicContact CB-CG1 4.25Å; L202-I239 HydrophobicContact CD1-CB 3.99Å; L202-I239 HydrophobicContact CD1-CD1 4.01Å; L202-I239 HydrophobicContact CD1-CG1 3.61Å; L202-I239 HydrophobicContact CD2-CD1 3.74Å; L202-I239 HydrophobicContact CD2-CG1 4.32Å; L202-I239 HydrophobicContact CG-CD1 4.16Å; L202-I239 HydrophobicContact CG-CG1 4.25Å
203L81Confident81.2Confident86 Ų8630.8 Ų30.845%0.4518%0.179SC..Hα-helixtrans-63-44.1-174.2-17559.9000110.9F199 P200 F205 Q206 Q207F199-L203 PolarHBondContact O-N 2.96Å; F199-L203 VanDerWaalsContact O-N 3.13Å; P200-L203 PolarHBondContact O-N 2.83Å; L203-F205 PolarHBondContact O-N 3.44Å; L203-Q206 PolarHBondContact O-N 3.35Å; L203-Q207 WeakPolarHBondContact O-CB 3.41Å; L203-Q207 VanDerWaalsContact O-CG 3.28Å; L203-Q207 WeakPolarHBondContact O-CG 3.17Å; L203-Q207 PolarHBondContact O-N 3.12Å
204R86.4Confident81.9Confident28 Ų2837.3 Ų37.311%0.10621%0.208CC..Hα-helixtrans-57.2-45.4173.5-178.217163.690.7-7.7112.4P200 L202 H208 P335 P336 E341P200-R204 PolarHBondContact O-N 2.81Å; P200-R204 VanDerWaalsContact O-N 3.08Å; L202-R204 PolarHBondContact O-N 2.82Å; R204-H208 VanDerWaalsContact O-CB 3.31Å; R204-H208 WeakPolarHBondContact O-CB 3.29Å; R204-H208 PolarHBondContact O-N 2.85Å; R204-P335 WeakPolarHBondContact CD-O 3.15Å; R204-P335 HydrophobicContact CG-CB 4.48Å; R204-P335 PolarHBondContact NH1-O 2.88Å; R204-P336 VanDerWaalsContact CD-O 3.31Å; R204-P336 WeakPolarHBondContact CD-O 3.48Å; R204-E341 WeakPolarHBondContact CD-OE1 3.45Å; R204-E341 IonicContact CZ-OE1 3.46Å; R204-E341 IonicContact CZ-OE2 3.33Å; R204-E341 VanDerWaalsContact NE-CD 3.28Å; R204-E341 IonicContact NE-OE1 3.4Å; R204-E341 PolarHBondContact NE-OE1 3Å; R204-E341 IonicContact NE-OE2 2.68Å; R204-E341 PolarHBondContact NE-OE2 2.86Å; R204-E341 IonicContact NH2-OE1 3.02Å; R204-E341 IonicContact NH2-OE2 3.17Å; R204-E341 PolarHBondContact NH2-OE2 3.03Å
205F85.6Confident82.9Confident1 Ų144 Ų440%0.00424%0.237CC..Hα-helixtrans-71.2-37178.6-89.5-113000113.1F194 K201 L202 L203 H208 H209 Y238 D270 L273 T274 A334F194-F205 HydrophobicContact CE1-CB 4.28Å; F194-F205 HydrophobicContact CE1-CD2 4.21Å; F194-F205 HydrophobicContact CE1-CG 4.08Å; F194-F205 HydrophobicContact CZ-CD1 4.15Å; F194-F205 HydrophobicContact CZ-CD2 4.14Å; F194-F205 HydrophobicContact CZ-CE1 4.3Å; F194-F205 HydrophobicContact CZ-CE2 4.3Å; F194-F205 HydrophobicContact CZ-CG 4.07Å; F194-F205 HydrophobicContact CZ-CZ 4.39Å; K201-F205 HydrophobicContact CD-CE2 4.24Å; K201-F205 HydrophobicContact CG-CD2 3.71Å; K201-F205 HydrophobicContact CG-CE2 3.74Å; K201-F205 WeakPolarHBondContact O-CB 3.46Å; K201-F205 VanDerWaalsContact O-CD2 3.24Å; K201-F205 WeakPolarHBondContact O-CD2 3.49Å; K201-F205 PolarHBondContact O-N 3.21Å; L202-F205 PolarHBondContact O-N 2.89Å; L203-F205 PolarHBondContact O-N 3.44Å; F205-H208 PolarHBondContact O-N 3.11Å; F205-H209 WeakPolarHBondContact O-CB 3.29Å; F205-H209 PolarHBondContact O-N 3.23Å; F205-Y238 HydrophobicContact CB-CD1 3.54Å; F205-Y238 HydrophobicContact CB-CD2 4.38Å; F205-Y238 HydrophobicContact CB-CE1 4.07Å; F205-Y238 HydrophobicContact CB-CG 3.71Å; F205-Y238 AromaticContact CD1-CD1 3.58Å; F205-Y238 HydrophobicContact CD1-CD1 3.58Å; F205-Y238 AromaticContact CD1-CE1 3.77Å; F205-Y238 HydrophobicContact CD1-CE1 3.77Å; F205-Y238 HydrophobicContact CG-CD1 4.01Å; F205-Y238 HydrophobicContact CG-CE1 4.43Å; F205-D270 HydrophobicContact CE1-CB 4.27Å; F205-D270 HydrophobicContact CZ-CB 4Å; F205-D270 WeakPolarHBondContact CZ-OD2 3.42Å; F205-L273 HydrophobicContact CE1-CD1 4.49Å; F205-T274 WeakPolarHBondContact CD1-OG1 3.48Å; F205-T274 WeakPolarHBondContact CE1-OG1 3.36Å; F205-A334 HydrophobicContact CD2-CB 4.16Å; F205-A334 HydrophobicContact CE1-CB 4.44Å; F205-A334 HydrophobicContact CE2-CB 3.81Å; F205-A334 HydrophobicContact CZ-CB 3.95Å
206Q81.2Confident84Confident35 Ų3546.7 Ų46.716%0.16425%0.247CC..Hα-helixtrans-62.1-48.3174.4177.4-172.9-1100111.4L202 L203 H208 H209 D210 S235L202-Q206 WeakPolarHBondContact O-CB 3.47Å; L202-Q206 PolarHBondContact O-N 2.98Å; L203-Q206 PolarHBondContact O-N 3.35Å; Q206-H208 VanDerWaalsContact C-N 3.34Å; Q206-H208 PolarHBondContact O-N 3.22Å; Q206-H209 WeakPolarHBondContact O-CB 3.13Å; Q206-H209 PolarHBondContact O-N 2.93Å; Q206-D210 PolarHBondContact O-N 3.06Å; Q206-S235 VanDerWaalsContact CD-CA 3.4Å; Q206-S235 VanDerWaalsContact OE1-CA 3.24Å; Q206-S235 VanDerWaalsContact OE1-CB 3.25Å
207Q86.2Confident84.9Confident122 Ų12246 Ų4657%0.5724%0.243SC*.Hα-helixtrans-61.2-43.3176.1-70.9170.8-6.800111.4L203 H209 D210 A211L203-Q207 WeakPolarHBondContact O-CB 3.41Å; L203-Q207 VanDerWaalsContact O-CG 3.28Å; L203-Q207 WeakPolarHBondContact O-CG 3.17Å; L203-Q207 PolarHBondContact O-N 3.12Å; Q207-H209 VanDerWaalsContact C-N 3.32Å; Q207-H209 PolarHBondContact O-N 3.36Å; Q207-D210 PolarHBondContact O-N 3.24Å; Q207-A211 PolarHBondContact O-N 3.2Å; Q207-A211 VanDerWaalsContact O-N 3.1Å
208H89.9Confident86.1Confident18 Ų1845.5 Ų45.58%0.08324%0.24CC..Hα-helixtrans-60.5-40174.8179.360.4000112.3R204 F205 Q206 A211 I212 Q333 A334R204-H208 VanDerWaalsContact O-CB 3.31Å; R204-H208 WeakPolarHBondContact O-CB 3.29Å; R204-H208 PolarHBondContact O-N 2.85Å; F205-H208 PolarHBondContact O-N 3.11Å; Q206-H208 VanDerWaalsContact C-N 3.34Å; Q206-H208 PolarHBondContact O-N 3.22Å; H208-A211 PolarHBondContact O-N 3.16Å; H208-I212 WeakPolarHBondContact O-CG1 3.47Å; H208-I212 PolarHBondContact O-N 3.25Å; H208-Q333 PolarHBondContact CE1-O 2.83Å; H208-Q333 PolarHBondContact NE2-O 2.83Å; H208-A334 HydrophobicContact CB-CB 4.38Å; H208-A334 PolarHBondContact NE2-N 3.11Å
209H87.2Confident87.2Confident3 Ų348.1 Ų48.11%0.01424%0.24CC..Hα-helixtrans-65.1-44.1176.1-167.7-147.6000112.9F205 Q206 Q207 A211 I212 L213 Y238 F278F205-H209 WeakPolarHBondContact O-CB 3.29Å; F205-H209 PolarHBondContact O-N 3.23Å; Q206-H209 WeakPolarHBondContact O-CB 3.13Å; Q206-H209 PolarHBondContact O-N 2.93Å; Q207-H209 VanDerWaalsContact C-N 3.32Å; Q207-H209 PolarHBondContact O-N 3.36Å; H209-A211 VanDerWaalsContact C-N 3.26Å; H209-A211 PolarHBondContact O-N 3.08Å; H209-I212 CarbonylContact O-C 3.51Å; H209-I212 WeakPolarHBondContact O-CA 3.49Å; H209-I212 WeakPolarHBondContact O-CB 3.25Å; H209-I212 PolarHBondContact O-N 2.83Å; H209-L213 WeakPolarHBondContact O-CG 3.49Å; H209-L213 PolarHBondContact O-N 2.88Å; H209-Y238 HydrophobicContact CB-CE2 3.42Å; H209-Y238 VanDerWaalsContact CB-CE2 3.42Å; H209-Y238 WeakPolarHBondContact CB-OH 3.35Å; H209-Y238 PolarHBondContact CD2-OH 2.76Å; H209-Y238 AromaticContact CG-CE2 3.59Å; H209-Y238 AromaticContact CG-CZ 3.69Å; H209-Y238 AromaticContact ND1-CE2 3.56Å; H209-F278 PolarHBondContact NE2-N 3.33Å
210D86.4Confident87.9Confident37 Ų3745.6 Ų45.620%0.19823%0.229CC..Hα-helixtrans-59.9-41.1176.7-174.955.4000111.3Q206 Q207 I212 L213 K214 R221 Y230Q206-D210 PolarHBondContact O-N 3.06Å; Q207-D210 PolarHBondContact O-N 3.24Å; D210-I212 VanDerWaalsContact C-N 3.29Å; D210-I212 PolarHBondContact O-N 3.13Å; D210-L213 PolarHBondContact O-N 3.02Å; D210-K214 VanDerWaalsContact O-CB 3.26Å; D210-K214 WeakPolarHBondContact O-CB 3.21Å; D210-K214 PolarHBondContact O-N 2.86Å; D210-R221 IonicContact OD1-CZ 3.33Å; D210-R221 IonicContact OD1-NE 2.74Å; D210-R221 PolarHBondContact OD1-NE 3.33Å; D210-R221 IonicContact OD1-NH2 2.83Å; D210-R221 PolarHBondContact OD1-NH2 3.16Å; D210-R221 IonicContact OD2-CZ 3.46Å; D210-R221 IonicContact OD2-NE 3.3Å; D210-R221 PolarHBondContact OD2-NE 2.93Å; D210-R221 IonicContact OD2-NH2 2.96Å; D210-R221 PolarHBondContact OD2-NH2 3.25Å; D210-Y230 HydrophobicContact CB-CE1 4.41Å; D210-Y230 WeakPolarHBondContact OD1-CE1 3.37Å
211A91.2Very high88.2Confident42 Ų4247.2 Ų47.235%0.34723%0.231SC..Hα-helixtrans-62.9-32.4173.200000113.1Q207 H208 H209 K215Q207-A211 PolarHBondContact O-N 3.2Å; Q207-A211 VanDerWaalsContact O-N 3.1Å; H208-A211 PolarHBondContact O-N 3.16Å; H209-A211 VanDerWaalsContact C-N 3.26Å; H209-A211 PolarHBondContact O-N 3.08Å; A211-K215 WeakPolarHBondContact O-CB 3.34Å; A211-K215 VanDerWaalsContact O-CG 3.28Å; A211-K215 WeakPolarHBondContact O-CG 3.4Å; A211-K215 PolarHBondContact O-N 3.03Å
212I91.4Very high88.6Confident1 Ų149.8 Ų49.81%0.00525%0.253CS..Hα-helixtrans-69.2-50.3170.8-66.7166.4000110.4H208 H209 D210 K214 K215 R216 T274 F278 L326 L331H208-I212 WeakPolarHBondContact O-CG1 3.47Å; H208-I212 PolarHBondContact O-N 3.25Å; H209-I212 CarbonylContact O-C 3.51Å; H209-I212 WeakPolarHBondContact O-CA 3.49Å; H209-I212 WeakPolarHBondContact O-CB 3.25Å; H209-I212 PolarHBondContact O-N 2.83Å; D210-I212 VanDerWaalsContact C-N 3.29Å; D210-I212 PolarHBondContact O-N 3.13Å; I212-K214 VanDerWaalsContact C-N 3.35Å; I212-K214 PolarHBondContact O-N 3.41Å; I212-K215 CarbonylContact O-C 3.59Å; I212-K215 PolarHBondContact O-N 2.94Å; I212-K215 VanDerWaalsContact O-N 3.08Å; I212-R216 HydrophobicContact CG2-CB 4.42Å; I212-R216 HydrophobicContact CG2-CG 4.01Å; I212-R216 WeakPolarHBondContact O-CB 3.24Å; I212-R216 VanDerWaalsContact O-CG 3.28Å; I212-R216 WeakPolarHBondContact O-CG 3.36Å; I212-R216 PolarHBondContact O-N 3.2Å; I212-T274 HydrophobicContact CD1-CG2 3.31Å; I212-F278 HydrophobicContact CG2-CD2 3.61Å; I212-F278 HydrophobicContact CG2-CE2 4.04Å; I212-F278 HydrophobicContact CG2-CG 4.19Å; I212-L326 HydrophobicContact CG2-CD2 3.69Å; I212-L331 VanDerWaalsContact CD1-O 3.26Å; I212-L331 WeakPolarHBondContact CD1-O 3.42Å; I212-L331 HydrophobicContact CG1-CB 4.37Å
213L89.7Confident89Confident2 Ų250.1 Ų50.11%0.0125%0.254CS..Hα-helixtrans-59.4-45.5-179.4-65.9178.5000110.9H209 D210 K215 R216 L217 R221 F278 L281H209-L213 WeakPolarHBondContact O-CG 3.49Å; H209-L213 PolarHBondContact O-N 2.88Å; D210-L213 PolarHBondContact O-N 3.02Å; L213-K215 PolarHBondContact O-N 2.93Å; L213-R216 PolarHBondContact O-N 3.26Å; L213-R216 VanDerWaalsContact O-N 3.12Å; L213-L217 HydrophobicContact CD2-CB 4.48Å; L213-L217 HydrophobicContact CD2-CD1 3.98Å; L213-L217 CarbonylContact O-C 3.56Å; L213-L217 VanDerWaalsContact O-C 3.23Å; L213-L217 PolarHBondContact O-N 3.45Å; L213-R221 HydrophobicContact CB-CB 4.22Å; L213-R221 HydrophobicContact CB-CG 4.39Å; L213-F278 HydrophobicContact CD2-CD2 4.26Å; L213-L281 HydrophobicContact CD1-CD1 3.82Å; L213-L281 HydrophobicContact CD2-CD1 3.76Å; L213-L281 HydrophobicContact CG-CD1 4.42Å
214K91.3Very high88.9Confident138 Ų13846.4 Ų46.460%0.623%0.234SC*.Hα-helixtrans-56.6-34.1175.2-168.8173.3-179.5177.10112.6D210 I212D210-K214 VanDerWaalsContact O-CB 3.26Å; D210-K214 WeakPolarHBondContact O-CB 3.21Å; D210-K214 PolarHBondContact O-N 2.86Å; I212-K214 VanDerWaalsContact C-N 3.35Å; I212-K214 PolarHBondContact O-N 3.41Å
215K94.5Very high88.6Confident142 Ų14248 Ų4862%0.61725%0.247SC*.Hα-helixtrans-92-11.7179.6-70.8177.9-180-179.20114.8A211 I212 L213 L331A211-K215 WeakPolarHBondContact O-CB 3.34Å; A211-K215 VanDerWaalsContact O-CG 3.28Å; A211-K215 WeakPolarHBondContact O-CG 3.4Å; A211-K215 PolarHBondContact O-N 3.03Å; I212-K215 CarbonylContact O-C 3.59Å; I212-K215 PolarHBondContact O-N 2.94Å; I212-K215 VanDerWaalsContact O-N 3.08Å; L213-K215 PolarHBondContact O-N 2.93Å; K215-L331 HydrophobicContact CB-CD1 4.29Å; K215-L331 HydrophobicContact CD-CD1 4.3Å; K215-L331 HydrophobicContact CD-CD2 3.86Å
216R94.5Very high88.3Confident57 Ų5752 Ų5222%0.21528%0.281CS..Hα-helixtrans-133.7-29.2-166.1-63.5-57.2-53.8-95.43.6116I212 L213 F278 S325 L331I212-R216 HydrophobicContact CG2-CB 4.42Å; I212-R216 HydrophobicContact CG2-CG 4.01Å; I212-R216 WeakPolarHBondContact O-CB 3.24Å; I212-R216 VanDerWaalsContact O-CG 3.28Å; I212-R216 WeakPolarHBondContact O-CG 3.36Å; I212-R216 PolarHBondContact O-N 3.2Å; L213-R216 PolarHBondContact O-N 3.26Å; L213-R216 VanDerWaalsContact O-N 3.12Å; R216-F278 HydrophobicContact CB-CE2 3.58Å; R216-F278 HydrophobicContact CB-CZ 4Å; R216-F278 HydrophobicContact CG-CE2 4.22Å; R216-F278 HydrophobicContact CG-CZ 4.45Å; R216-S325 PolarHBondContact NH1-OG 2.87Å; R216-S325 PolarHBondContact NH2-OG 3.1Å; R216-L331 HydrophobicContact CG-CD1 4.18Å
217L91.6Very high87.8Confident10 Ų1056.1 Ų56.15%0.05229%0.294CS..  trans-141.256.3179-57171.7000108.9L213 N219 L220 R221 F278 L281 K282 E285L213-L217 HydrophobicContact CD2-CB 4.48Å; L213-L217 HydrophobicContact CD2-CD1 3.98Å; L213-L217 CarbonylContact O-C 3.56Å; L213-L217 VanDerWaalsContact O-C 3.23Å; L213-L217 PolarHBondContact O-N 3.45Å; L217-N219 VanDerWaalsContact C-N 3.31Å; L217-N219 PolarHBondContact O-N 2.85Å; L217-L220 HydrophobicContact CB-CB 4.1Å; L217-L220 HydrophobicContact CD1-CD2 4.1Å; L217-L220 PolarHBondContact O-N 3.46Å; L217-R221 PolarHBondContact O-N 2.63Å; L217-F278 HydrophobicContact CD1-CD2 4.17Å; L217-F278 HydrophobicContact CD1-CE2 3.73Å; L217-F278 HydrophobicContact CD1-CZ 4.46Å; L217-F278 HydrophobicContact CG-CE2 3.89Å; L217-L281 HydrophobicContact CD1-CB 4.34Å; L217-K282 HydrophobicContact CD1-CB 4.1Å; L217-K282 HydrophobicContact CD2-CG 4.3Å; L217-E285 WeakPolarHBondContact CD2-OE1 3.29Å
218P93.8Very high86.5Confident70 Ų7050.7 Ų50.746%0.45527%0.269SS..Hα-helixtrans-62.1-36.3-16925.1-34.8000112.8R221 A222P218-R221 WeakPolarHBondContact O-CB 3.07Å; P218-R221 PolarHBondContact O-N 3.15Å; P218-A222 WeakPolarHBondContact O-CB 3.48Å; P218-A222 PolarHBondContact O-N 3.02Å
219N93.5Very high84.9Confident116 Ų11654.7 Ų54.762%0.6230%0.295SS*.Hα-helixtrans-67.3-44.5179.2-60.56.7000110.9L217 A222 H223L217-N219 VanDerWaalsContact C-N 3.31Å; L217-N219 PolarHBondContact O-N 2.85Å; N219-A222 PolarHBondContact O-N 2.86Å; N219-H223 WeakPolarHBondContact O-CB 3.46Å; N219-H223 PolarHBondContact O-N 3.01Å
220L89.9Confident83.1Confident1 Ų156.6 Ų56.61%0.00530%0.302CS..Hα-helixtrans-63.5-41.9172.9-17664.1000111.2L217 A222 H223 L224 L281 E285 L288 M289L217-L220 HydrophobicContact CB-CB 4.1Å; L217-L220 HydrophobicContact CD1-CD2 4.1Å; L217-L220 PolarHBondContact O-N 3.46Å; L220-A222 PolarHBondContact O-N 3.09Å; L220-H223 PolarHBondContact O-N 3.13Å; L220-L224 HydrophobicContact CD1-CD1 4.21Å; L220-L224 HydrophobicContact CD1-CG 4.19Å; L220-L224 HydrophobicContact CG-CD1 3.89Å; L220-L224 HydrophobicContact CG-CG 4.31Å; L220-L224 WeakPolarHBondContact O-CB 3.3Å; L220-L224 WeakPolarHBondContact O-CG 3.22Å; L220-L224 PolarHBondContact O-N 3.45Å; L220-L281 HydrophobicContact CD2-CB 3.99Å; L220-L281 HydrophobicContact CD2-CD2 4.36Å; L220-E285 HydrophobicContact CB-CG 4.31Å; L220-E285 HydrophobicContact CD2-CB 4.21Å; L220-E285 HydrophobicContact CD2-CG 4.21Å; L220-L288 HydrophobicContact CD1-CB 3.72Å; L220-L288 HydrophobicContact CD1-CD1 4.27Å; L220-L288 HydrophobicContact CD2-CD1 4.3Å; L220-M289 HydrophobicContact CB-SD 4.25Å; L220-M289 HydrophobicContact CD1-CG 4.18Å; L220-M289 HydrophobicContact CD1-SD 3.97Å
221R87Confident81.4Confident60 Ų6059.5 Ų59.523%0.22632%0.322CS..Hα-helixtrans-56.4-50.9173.5-174.9-167.9-179.2-82.7-4.2110.9D210 L213 L217 P218 L224 V225D210-R221 IonicContact OD1-CZ 3.33Å; D210-R221 IonicContact OD1-NE 2.74Å; D210-R221 PolarHBondContact OD1-NE 3.33Å; D210-R221 IonicContact OD1-NH2 2.83Å; D210-R221 PolarHBondContact OD1-NH2 3.16Å; D210-R221 IonicContact OD2-CZ 3.46Å; D210-R221 IonicContact OD2-NE 3.3Å; D210-R221 PolarHBondContact OD2-NE 2.93Å; D210-R221 IonicContact OD2-NH2 2.96Å; D210-R221 PolarHBondContact OD2-NH2 3.25Å; L213-R221 HydrophobicContact CB-CB 4.22Å; L213-R221 HydrophobicContact CB-CG 4.39Å; L217-R221 PolarHBondContact O-N 2.63Å; P218-R221 WeakPolarHBondContact O-CB 3.07Å; P218-R221 PolarHBondContact O-N 3.15Å; R221-L224 PolarHBondContact O-N 2.78Å; R221-V225 HydrophobicContact CG-CG2 4.32Å; R221-V225 VanDerWaalsContact O-CG2 3.31Å; R221-V225 WeakPolarHBondContact O-CG2 3.36Å; R221-V225 PolarHBondContact O-N 2.66Å
222A89.1Confident79.4Confident56 Ų5661.5 Ų61.546%0.46332%0.323SS..Hα-helixtrans-63.2-43.9-178.800000112.2P218 N219 L220 L224 V225 A226P218-A222 WeakPolarHBondContact O-CB 3.48Å; P218-A222 PolarHBondContact O-N 3.02Å; N219-A222 PolarHBondContact O-N 2.86Å; L220-A222 PolarHBondContact O-N 3.09Å; A222-L224 VanDerWaalsContact C-N 3.35Å; A222-L224 PolarHBondContact O-N 3.45Å; A222-V225 PolarHBondContact O-N 3.19Å; A222-A226 WeakPolarHBondContact O-CB 3.39Å; A222-A226 PolarHBondContact O-N 3.15Å
223H86.8Confident77.4Confident27 Ų2762.1 Ų62.113%0.12533%0.327CS..Hα-helixtrans-59.6-44174.517599.6000112N219 L220 R227 M289 L291N219-H223 WeakPolarHBondContact O-CB 3.46Å; N219-H223 PolarHBondContact O-N 3.01Å; L220-H223 PolarHBondContact O-N 3.13Å; H223-R227 PolarHBondContact CE1-NH1 3.16Å; H223-R227 PolarHBondContact ND1-NH1 2.97Å; H223-R227 PolarHBondContact NE2-NE 2.87Å; H223-R227 WeakPolarHBondContact O-CB 3.27Å; H223-R227 PolarHBondContact O-N 3.26Å; H223-R227 VanDerWaalsContact O-N 3.14Å; H223-M289 HydrophobicContact CB-CE 3.86Å; H223-M289 HydrophobicContact CB-SD 3.52Å; H223-M289 VanDerWaalsContact CB-SD 3.52Å; H223-M289 PolarHBondContact CE1-O 3.27Å; H223-M289 PolarHBondContact NE2-O 3.02Å; H223-L291 PolarHBondContact NE2-O 3.44Å
224L80.6Confident75.2Confident8 Ų862.7 Ų62.74%0.04233%0.331CS..Hα-helixtrans-64.9-48.9174.8-65.2169.4000110.3L220 R221 A222 A226 R227 I228 Y230 L281 T296L220-L224 HydrophobicContact CD1-CD1 4.21Å; L220-L224 HydrophobicContact CD1-CG 4.19Å; L220-L224 HydrophobicContact CG-CD1 3.89Å; L220-L224 HydrophobicContact CG-CG 4.31Å; L220-L224 WeakPolarHBondContact O-CB 3.3Å; L220-L224 WeakPolarHBondContact O-CG 3.22Å; L220-L224 PolarHBondContact O-N 3.45Å; R221-L224 PolarHBondContact O-N 2.78Å; A222-L224 VanDerWaalsContact C-N 3.35Å; A222-L224 PolarHBondContact O-N 3.45Å; L224-A226 VanDerWaalsContact C-N 3.33Å; L224-A226 PolarHBondContact O-N 2.77Å; L224-R227 PolarHBondContact O-N 3.17Å; L224-I228 HydrophobicContact CB-CD1 4.33Å; L224-I228 HydrophobicContact CD2-CD1 3.45Å; L224-I228 VanDerWaalsContact CD2-CD1 3.45Å; L224-I228 HydrophobicContact CG-CD1 4.48Å; L224-I228 VanDerWaalsContact O-CA 3.26Å; L224-I228 WeakPolarHBondContact O-CA 3.33Å; L224-I228 WeakPolarHBondContact O-CB 3.33Å; L224-I228 WeakPolarHBondContact O-CG1 3.39Å; L224-I228 PolarHBondContact O-N 2.88Å; L224-Y230 HydrophobicContact CB-CE2 3.79Å; L224-L281 HydrophobicContact CD1-CD2 4.24Å; L224-T296 HydrophobicContact CD2-CG2 4.18Å
225V79.8Confident73Confident62 Ų6256.6 Ų56.638%0.37631%0.305SS..Hα-helixtrans-56.1-44.9177.3171.30000112.1R221 A222 R227 Y230R221-V225 HydrophobicContact CG-CG2 4.32Å; R221-V225 VanDerWaalsContact O-CG2 3.31Å; R221-V225 WeakPolarHBondContact O-CG2 3.36Å; R221-V225 PolarHBondContact O-N 2.66Å; A222-V225 PolarHBondContact O-N 3.19Å; V225-R227 PolarHBondContact O-N 2.81Å; V225-Y230 HydrophobicContact CB-CD2 4.17Å; V225-Y230 HydrophobicContact CB-CE2 4.31Å; V225-Y230 HydrophobicContact CG2-CD1 4.49Å; V225-Y230 HydrophobicContact CG2-CD2 3.46Å; V225-Y230 VanDerWaalsContact CG2-CD2 3.46Å; V225-Y230 HydrophobicContact CG2-CE1 4.49Å; V225-Y230 HydrophobicContact CG2-CE2 3.45Å; V225-Y230 VanDerWaalsContact CG2-CE2 3.45Å; V225-Y230 HydrophobicContact CG2-CG 4Å
226A79.4Confident70.8Confident85 Ų8553 Ų5370%0.70229%0.288SS*.Hα-helixtrans-72.9-25.7-176.500000114A222 L224A222-A226 WeakPolarHBondContact O-CB 3.39Å; A222-A226 PolarHBondContact O-N 3.15Å; L224-A226 VanDerWaalsContact C-N 3.33Å; L224-A226 PolarHBondContact O-N 2.77Å
227R69.3Low68.7Low121 Ų12151.1 Ų51.146%0.45728%0.281SS..Hα-helixtrans-105.5-9.8179.5-72.7176.4162.174.87.1113.7H223 L224 V225 L291 F293H223-R227 PolarHBondContact CE1-NH1 3.16Å; H223-R227 PolarHBondContact ND1-NH1 2.97Å; H223-R227 PolarHBondContact NE2-NE 2.87Å; H223-R227 WeakPolarHBondContact O-CB 3.27Å; H223-R227 PolarHBondContact O-N 3.26Å; H223-R227 VanDerWaalsContact O-N 3.14Å; L224-R227 PolarHBondContact O-N 3.17Å; V225-R227 PolarHBondContact O-N 2.81Å; R227-L291 WeakPolarHBondContact CD-O 3.29Å; R227-F293 WeakPolarHBondContact O-CB 3.38Å; R227-F293 WeakPolarHBondContact O-CD2 3.44Å
228I60.5Low66.5Low8 Ų850.6 Ų50.64%0.04128%0.279CS..SBendtrans-144.9111.5-169-45.6-177.2000108.7L224 Y230 P233 F293 T296 M297L224-I228 HydrophobicContact CB-CD1 4.33Å; L224-I228 HydrophobicContact CD2-CD1 3.45Å; L224-I228 VanDerWaalsContact CD2-CD1 3.45Å; L224-I228 HydrophobicContact CG-CD1 4.48Å; L224-I228 VanDerWaalsContact O-CA 3.26Å; L224-I228 WeakPolarHBondContact O-CA 3.33Å; L224-I228 WeakPolarHBondContact O-CB 3.33Å; L224-I228 WeakPolarHBondContact O-CG1 3.39Å; L224-I228 PolarHBondContact O-N 2.88Å; I228-Y230 PolarHBondContact O-N 3.03Å; I228-P233 HydrophobicContact CG2-CB 4.31Å; I228-P233 HydrophobicContact CG2-CG 3.35Å; I228-F293 HydrophobicContact CB-CD2 4.33Å; I228-F293 HydrophobicContact CG1-CD2 4.11Å; I228-F293 HydrophobicContact CG2-CD2 4.14Å; I228-F293 HydrophobicContact CG2-CE2 4.03Å; I228-T296 HydrophobicContact CD1-CG2 3.77Å; I228-M297 HydrophobicContact CD1-CE 4.01Å
229V55.1Low64.2Low103 Ų10348 Ų4862%0.62426%0.261SS*.  trans-53110.7170.6-179.60000108.7T231 F232 P233V229-T231 PolarHBondContact O-N 3.28Å; V229-F232 PolarHBondContact O-N 3.39Å; V229-P233 WeakPolarHBondContact O-CD 3.17Å
230Y50.6Low61.9Low42 Ų4243.3 Ų43.317%0.16524%0.235CC..THydrogen-bonded Turntrans-65.6-19.1-161.3-129.3-116.8000114.2D210 L224 V225 I228 F232 C234D210-Y230 HydrophobicContact CB-CE1 4.41Å; D210-Y230 WeakPolarHBondContact OD1-CE1 3.37Å; L224-Y230 HydrophobicContact CB-CE2 3.79Å; V225-Y230 HydrophobicContact CB-CD2 4.17Å; V225-Y230 HydrophobicContact CB-CE2 4.31Å; V225-Y230 HydrophobicContact CG2-CD1 4.49Å; V225-Y230 HydrophobicContact CG2-CD2 3.46Å; V225-Y230 VanDerWaalsContact CG2-CD2 3.46Å; V225-Y230 HydrophobicContact CG2-CE1 4.49Å; V225-Y230 HydrophobicContact CG2-CE2 3.45Å; V225-Y230 VanDerWaalsContact CG2-CE2 3.45Å; V225-Y230 HydrophobicContact CG2-CG 4Å; I228-Y230 PolarHBondContact O-N 3.03Å; Y230-F232 VanDerWaalsContact C-N 3.28Å; Y230-F232 PolarHBondContact O-N 3.03Å; Y230-C234 HydrophobicContact CD1-CB 4.41Å; Y230-C234 HydrophobicContact CE1-CB 4.35Å
231T50.1Low59.6Low99 Ų9944.9 Ų44.961%0.60724%0.242SC*.THydrogen-bonded Turntrans-55.8-37.5170.8-320000112.7V229 S235V229-T231 PolarHBondContact O-N 3.28Å; T231-S235 PolarHBondContact O-OG 2.91Å
232F48.2Very low57.3Low83 Ų8342.2 Ų42.236%0.36423%0.232SC..THydrogen-bonded Turntrans-90.4-50.3-161.9-114.5-92.7000115.9V229 Y230 S235 Y236 Y395 L399V229-F232 PolarHBondContact O-N 3.39Å; Y230-F232 VanDerWaalsContact C-N 3.28Å; Y230-F232 PolarHBondContact O-N 3.03Å; F232-S235 PolarHBondContact O-OG 3.07Å; F232-Y236 WeakPolarHBondContact O-CD2 3.26Å; F232-Y236 VanDerWaalsContact O-CE2 3.31Å; F232-Y236 WeakPolarHBondContact O-CE2 3.05Å; F232-Y395 HydrophobicContact CD1-CE1 4.49Å; F232-Y395 AromaticContact CE1-CD1 4Å; F232-Y395 HydrophobicContact CE1-CD1 4Å; F232-Y395 AromaticContact CE1-CE1 3.72Å; F232-Y395 HydrophobicContact CE1-CE1 3.72Å; F232-Y395 HydrophobicContact CE2-CE1 4.44Å; F232-Y395 AromaticContact CZ-CD1 3.79Å; F232-Y395 HydrophobicContact CZ-CD1 3.79Å; F232-Y395 AromaticContact CZ-CE1 3.69Å; F232-Y395 HydrophobicContact CZ-CE1 3.69Å; F232-L399 HydrophobicContact CE2-CD2 3.87Å; F232-L399 HydrophobicContact CZ-CD1 4.23Å; F232-L399 HydrophobicContact CZ-CD2 4.08Å; F232-L399 HydrophobicContact CZ-CG 4.37Å
233P49.4Very low55Low15 Ų1539.6 Ų39.610%0.09721%0.21CC..THydrogen-bonded Turntrans-95.7-34-177.1-21.541.2000115.6I228 V229 S235 Y236 W237 M297I228-P233 HydrophobicContact CG2-CB 4.31Å; I228-P233 HydrophobicContact CG2-CG 3.35Å; V229-P233 WeakPolarHBondContact O-CD 3.17Å; P233-S235 PolarHBondContact O-N 3.17Å; P233-Y236 PolarHBondContact O-N 2.88Å; P233-Y236 VanDerWaalsContact O-N 3.1Å; P233-W237 PolarHBondContact O-NE1 3.25Å; P233-M297 HydrophobicContact CB-CE 3.69Å; P233-M297 HydrophobicContact CB-SD 3.8Å; P233-M297 HydrophobicContact CG-CE 3.61Å; P233-M297 HydrophobicContact CG-SD 3.58Å; P233-M297 VanDerWaalsContact CG-SD 3.58Å
234C44.9Very low52.7Low14 Ų1438.9 Ų38.910%0.09521%0.208CC..THydrogen-bonded Turntrans-66-37.8-173.6-70.70000112.4Y230 Y236 W237Y230-C234 HydrophobicContact CD1-CB 4.41Å; Y230-C234 HydrophobicContact CE1-CB 4.35Å; C234-Y236 PolarHBondContact O-N 2.83Å; C234-W237 PolarHBondContact O-N 3.26Å; C234-W237 VanDerWaalsContact O-N 3.14Å
235S45Very low50.6Low9 Ų938.8 Ų38.86%0.06321%0.209CC..THydrogen-bonded Turntrans-49.4-39.7168.345.90000113.2L202 Q206 T231 F232 P233 W237L202-S235 WeakPolarHBondContact CD1-O 3.44Å; Q206-S235 VanDerWaalsContact CD-CA 3.4Å; Q206-S235 VanDerWaalsContact OE1-CA 3.24Å; Q206-S235 VanDerWaalsContact OE1-CB 3.25Å; T231-S235 PolarHBondContact O-OG 2.91Å; F232-S235 PolarHBondContact O-OG 3.07Å; P233-S235 PolarHBondContact O-N 3.17Å; S235-W237 VanDerWaalsContact C-N 3.33Å; S235-W237 PolarHBondContact O-N 3.23Å
236Y48.5Very low48.7Very low67 Ų6736.5 Ų36.526%0.26319%0.194SC..Hα-helixtrans-74.9-12.8-178.2-75.6-109.3000114.6F232 P233 C234 Y238 F240 R252 Y395F232-Y236 WeakPolarHBondContact O-CD2 3.26Å; F232-Y236 VanDerWaalsContact O-CE2 3.31Å; F232-Y236 WeakPolarHBondContact O-CE2 3.05Å; P233-Y236 PolarHBondContact O-N 2.88Å; P233-Y236 VanDerWaalsContact O-N 3.1Å; C234-Y236 PolarHBondContact O-N 2.83Å; Y236-Y238 PolarHBondContact O-N 3.05Å; Y236-F240 AromaticContact CD1-CD2 3.94Å; Y236-F240 HydrophobicContact CD1-CD2 3.94Å; Y236-F240 AromaticContact CD1-CE2 3.49Å; Y236-F240 HydrophobicContact CD1-CE2 3.49Å; Y236-F240 VanDerWaalsContact CD1-CE2 3.49Å; Y236-F240 HydrophobicContact CD1-CZ 4.23Å; Y236-F240 HydrophobicContact CE1-CE2 4.17Å; Y236-F240 HydrophobicContact CG-CE2 4.47Å; Y236-F240 VanDerWaalsContact O-CB 3.25Å; Y236-F240 WeakPolarHBondContact O-CB 3.48Å; Y236-F240 VanDerWaalsContact O-CD2 3.24Å; Y236-F240 WeakPolarHBondContact O-CD2 3.34Å; Y236-F240 PolarHBondContact O-N 3.4Å; Y236-R252 VanDerWaalsContact CB-NH2 3.35Å; Y236-Y395 HydrophobicContact CE2-CE1 4.22Å; Y236-Y395 AromaticContact CE2-CZ 3.85Å; Y236-Y395 WeakPolarHBondContact CE2-OH 3.43Å; Y236-Y395 AromaticContact CZ-CZ 3.79Å; Y236-Y395 WeakPolarHBondContact OH-CE1 3.46Å; Y236-Y395 PolarHBondContact OH-OH 3.42Å
237W50.6Low46.5Very low17 Ų1736 Ų366%0.06419%0.185CC..Hα-helixtrans-70.1-33.8-173.7-71.467.6000113.6P233 C234 S235 F241 A277 I280 L281 L300P233-W237 PolarHBondContact O-NE1 3.25Å; C234-W237 PolarHBondContact O-N 3.26Å; C234-W237 VanDerWaalsContact O-N 3.14Å; S235-W237 VanDerWaalsContact C-N 3.33Å; S235-W237 PolarHBondContact O-N 3.23Å; W237-F241 PolarHBondContact O-N 2.8Å; W237-A277 HydrophobicContact CB-CB 4.46Å; W237-A277 HydrophobicContact CE3-CB 4.16Å; W237-I280 HydrophobicContact CH2-CG2 4.05Å; W237-I280 HydrophobicContact CZ3-CB 3.95Å; W237-I280 HydrophobicContact CZ3-CD1 4.41Å; W237-I280 HydrophobicContact CZ3-CG2 3.78Å; W237-L281 HydrophobicContact CH2-CD1 4.29Å; W237-L281 HydrophobicContact CH2-CD2 3.41Å; W237-L281 VanDerWaalsContact CH2-CD2 3.41Å; W237-L281 HydrophobicContact CH2-CG 3.57Å; W237-L281 HydrophobicContact CZ2-CD1 4.46Å; W237-L281 HydrophobicContact CZ2-CD2 3.66Å; W237-L281 HydrophobicContact CZ2-CG 4.1Å; W237-L281 HydrophobicContact CZ3-CD2 4.32Å; W237-L281 HydrophobicContact CZ3-CG 3.98Å; W237-L300 HydrophobicContact CH2-CD1 4.34Å; W237-L300 HydrophobicContact CH2-CD2 3.51Å; W237-L300 HydrophobicContact CZ2-CD1 3.63Å; W237-L300 HydrophobicContact CZ2-CD2 3.69Å; W237-L300 HydrophobicContact CZ2-CG 4.24Å
238Y44.5Very low45Very low0 Ų041 Ų410%020%0.204CC..Hα-helixtrans-81.4-43-172.5-77.7-80.7000113.2F205 H209 Y236 F240 L273 T274 A277F205-Y238 HydrophobicContact CB-CD1 3.54Å; F205-Y238 HydrophobicContact CB-CD2 4.38Å; F205-Y238 HydrophobicContact CB-CE1 4.07Å; F205-Y238 HydrophobicContact CB-CG 3.71Å; F205-Y238 AromaticContact CD1-CD1 3.58Å; F205-Y238 HydrophobicContact CD1-CD1 3.58Å; F205-Y238 AromaticContact CD1-CE1 3.77Å; F205-Y238 HydrophobicContact CD1-CE1 3.77Å; F205-Y238 HydrophobicContact CG-CD1 4.01Å; F205-Y238 HydrophobicContact CG-CE1 4.43Å; H209-Y238 HydrophobicContact CB-CE2 3.42Å; H209-Y238 VanDerWaalsContact CB-CE2 3.42Å; H209-Y238 WeakPolarHBondContact CB-OH 3.35Å; H209-Y238 PolarHBondContact CD2-OH 2.76Å; H209-Y238 AromaticContact CG-CE2 3.59Å; H209-Y238 AromaticContact CG-CZ 3.69Å; H209-Y238 AromaticContact ND1-CE2 3.56Å; Y236-Y238 PolarHBondContact O-N 3.05Å; Y238-F240 VanDerWaalsContact C-N 3.34Å; Y238-L273 HydrophobicContact CD1-CB 4.21Å; Y238-L273 HydrophobicContact CE1-CB 4.35Å; Y238-T274 WeakPolarHBondContact OH-CA 2.96Å; Y238-A277 HydrophobicContact CE1-CB 4.44Å; Y238-A277 HydrophobicContact CE2-CB 4.34Å; Y238-A277 WeakPolarHBondContact OH-CB 3.06Å
239I45.2Very low43.9Very low14 Ų1448.3 Ų48.37%0.07223%0.231CC..Hα-helixtrans-63.6-39.4170.9-87.3178.5000111.4F199 L202 F241 L242 L243F199-I239 HydrophobicContact CD1-CD1 3.94Å; F199-I239 HydrophobicContact CE1-CD1 4.46Å; F199-I239 HydrophobicContact CG-CD1 4.29Å; L202-I239 HydrophobicContact CB-CD1 4.18Å; L202-I239 HydrophobicContact CB-CG1 4.25Å; L202-I239 HydrophobicContact CD1-CB 3.99Å; L202-I239 HydrophobicContact CD1-CD1 4.01Å; L202-I239 HydrophobicContact CD1-CG1 3.61Å; L202-I239 HydrophobicContact CD2-CD1 3.74Å; L202-I239 HydrophobicContact CD2-CG1 4.32Å; L202-I239 HydrophobicContact CG-CD1 4.16Å; L202-I239 HydrophobicContact CG-CG1 4.25Å; I239-F241 VanDerWaalsContact C-N 3.34Å; I239-F241 PolarHBondContact O-N 2.97Å; I239-L242 PolarHBondContact O-N 3.45Å; I239-L243 HydrophobicContact CG2-CB 4.08Å; I239-L243 HydrophobicContact CG2-CD1 3.52Å; I239-L243 HydrophobicContact CG2-CG 3.87Å; I239-L243 WeakPolarHBondContact O-CB 2.82Å; I239-L243 PolarHBondContact O-N 3.35Å
240F45.6Very low43.3Very low18 Ų1844.2 Ų44.28%0.07921%0.206CC..THydrogen-bonded Turntrans-81.3-4.5-172.7-82.3-100.6000116Y236 Y238 L242 L243 K246 T250Y236-F240 AromaticContact CD1-CD2 3.94Å; Y236-F240 HydrophobicContact CD1-CD2 3.94Å; Y236-F240 AromaticContact CD1-CE2 3.49Å; Y236-F240 HydrophobicContact CD1-CE2 3.49Å; Y236-F240 VanDerWaalsContact CD1-CE2 3.49Å; Y236-F240 HydrophobicContact CD1-CZ 4.23Å; Y236-F240 HydrophobicContact CE1-CE2 4.17Å; Y236-F240 HydrophobicContact CG-CE2 4.47Å; Y236-F240 VanDerWaalsContact O-CB 3.25Å; Y236-F240 WeakPolarHBondContact O-CB 3.48Å; Y236-F240 VanDerWaalsContact O-CD2 3.24Å; Y236-F240 WeakPolarHBondContact O-CD2 3.34Å; Y236-F240 PolarHBondContact O-N 3.4Å; Y238-F240 VanDerWaalsContact C-N 3.34Å; F240-L242 PolarHBondContact O-N 3.41Å; F240-L243 WeakPolarHBondContact CD1-O 3.06Å; F240-K246 HydrophobicContact CE1-CB 4.04Å; F240-K246 HydrophobicContact CE1-CD 4.46Å; F240-K246 HydrophobicContact CZ-CB 4.15Å; F240-K246 HydrophobicContact CZ-CD 3.83Å; F240-K246 HydrophobicContact CZ-CG 4.34Å; F240-T250 HydrophobicContact CD1-CG2 3.83Å; F240-T250 HydrophobicContact CE1-CG2 3.55Å
241F41.4Very low42.9Very low35 Ų3543.3 Ų43.315%0.15420%0.204CC..THydrogen-bonded Turntrans-73.8-17.3170.3-134.3-87000112.9W237 I239 L261 L273 M276 I280W237-F241 PolarHBondContact O-N 2.8Å; I239-F241 VanDerWaalsContact C-N 3.34Å; I239-F241 PolarHBondContact O-N 2.97Å; F241-L261 HydrophobicContact CE1-CB 4.11Å; F241-L261 HydrophobicContact CE1-CD1 3.7Å; F241-L261 HydrophobicContact CE1-CD2 4.03Å; F241-L261 HydrophobicContact CE1-CG 4.15Å; F241-L261 HydrophobicContact CZ-CD1 3.59Å; F241-L261 HydrophobicContact CZ-CD2 4.2Å; F241-L261 HydrophobicContact CZ-CG 4.39Å; F241-L273 HydrophobicContact CB-CD2 3.71Å; F241-L273 HydrophobicContact CD1-CD2 4.17Å; F241-L273 HydrophobicContact CG-CD2 4.29Å; F241-M276 HydrophobicContact CE1-CB 4.03Å; F241-M276 HydrophobicContact CE1-CG 3.86Å; F241-M276 HydrophobicContact CE2-CB 4.05Å; F241-M276 HydrophobicContact CE2-CG 3.64Å; F241-M276 HydrophobicContact CZ-CB 3.68Å; F241-M276 HydrophobicContact CZ-CG 3.13Å; F241-I280 HydrophobicContact CE2-CD1 3.83Å
242L38.8Very low43.2Very low4 Ų440.3 Ų40.32%0.02118%0.182CC..THydrogen-bonded Turntrans-114.6-43.2175.1-58.8174.1000111.3M191 F194 I239 F240 T244 W262 Y265 L273M191-L242 HydrophobicContact CE-CB 4.45Å; M191-L242 HydrophobicContact CE-CD1 3.51Å; M191-L242 HydrophobicContact CE-CD2 3.53Å; M191-L242 HydrophobicContact CE-CG 3.99Å; M191-L242 HydrophobicContact CG-CD1 3.91Å; M191-L242 HydrophobicContact SD-CD1 4.3Å; F194-L242 HydrophobicContact CD2-CD1 4.37Å; F194-L242 HydrophobicContact CE2-CD1 4.43Å; I239-L242 PolarHBondContact O-N 3.45Å; F240-L242 PolarHBondContact O-N 3.41Å; L242-T244 PolarHBondContact O-N 2.79Å; L242-W262 HydrophobicContact CD2-CH2 3.82Å; L242-W262 HydrophobicContact CD2-CZ2 3.96Å; L242-W262 HydrophobicContact CD2-CZ3 4.36Å; L242-Y265 HydrophobicContact CD2-CD1 4.43Å; L242-Y265 HydrophobicContact CD2-CD2 4.32Å; L242-Y265 HydrophobicContact CD2-CE1 4.11Å; L242-Y265 HydrophobicContact CD2-CE2 4.02Å; L242-L273 HydrophobicContact CD1-CD1 4.23Å; L242-L273 HydrophobicContact CD1-CD2 4.1Å; L242-L273 HydrophobicContact CD2-CD2 3.8Å; L242-L273 HydrophobicContact CG-CD2 3.72Å
243L40.1Very low44.2Very low0 Ų036.9 Ų36.90%017%0.167CC..  trans-84.295.6176.8-62.2-161.4000112Q160 L163 Q164 F195 I239 F240Q160-L243 HydrophobicContact CB-CD1 3.97Å; Q160-L243 HydrophobicContact CG-CD1 4.2Å; Q160-L243 VanDerWaalsContact O-CD2 3.32Å; Q160-L243 WeakPolarHBondContact O-CD2 3.24Å; Q160-L243 VanDerWaalsContact OE1-CD1 3.22Å; L163-L243 HydrophobicContact CB-CD2 4.22Å; L163-L243 HydrophobicContact CD2-CD2 4.4Å; Q164-L243 HydrophobicContact CG-CD2 4.25Å; F195-L243 HydrophobicContact CE1-CD1 3.88Å; F195-L243 HydrophobicContact CE1-CD2 3.7Å; F195-L243 HydrophobicContact CE1-CG 3.91Å; F195-L243 HydrophobicContact CZ-CD2 3.83Å; F195-L243 HydrophobicContact CZ-CG 4.19Å; I239-L243 HydrophobicContact CG2-CB 4.08Å; I239-L243 HydrophobicContact CG2-CD1 3.52Å; I239-L243 HydrophobicContact CG2-CG 3.87Å; I239-L243 WeakPolarHBondContact O-CB 2.82Å; I239-L243 PolarHBondContact O-N 3.35Å; F240-L243 WeakPolarHBondContact CD1-O 3.06Å
244T38.5Very low45.4Very low13 Ų1337.3 Ų37.38%0.0817%0.17CC..  trans-104153.2175.1310000112.8L242 L251 F385 G386L242-T244 PolarHBondContact O-N 2.79Å; T244-L251 HydrophobicContact CG2-CD2 3.99Å; T244-L251 HydrophobicContact CG2-CG 4.39Å; T244-F385 WeakPolarHBondContact O-CD1 3.19Å; T244-F385 WeakPolarHBondContact OG1-CB 3.27Å; T244-F385 WeakPolarHBondContact OG1-CD2 3.48Å; T244-F385 WeakPolarHBondContact OG1-CG 3.1Å; T244-G386 PolarHBondContact O-N 3.31Å; T244-G386 VanDerWaalsContact O-N 3.15Å
245G36.6Very low46.6Very low6 Ų637.4 Ų37.46%0.06217%0.169CC..  trans8812.7167.400000117.9S247 T250 G386 V387G245-S247 CarbonylContact C-O 3.48Å; G245-S247 PolarHBondContact O-N 3.34Å; G245-T250 PolarHBondContact N-O 3.27Å; G245-G386 WeakPolarHBondContact O-CA 3.06Å; G245-V387 VanDerWaalsContact O-CA 3.3Å; G245-V387 WeakPolarHBondContact O-CA 3.3Å; G245-V387 WeakPolarHBondContact O-CG1 3.3Å
246K39.8Very low48.2Very low14 Ų1438.9 Ų38.96%0.06118%0.179CC..SBendtrans-51.7-25.4178.3-95.7-169.4149171.70114.8F240 V387 H388F240-K246 HydrophobicContact CE1-CB 4.04Å; F240-K246 HydrophobicContact CE1-CD 4.46Å; F240-K246 HydrophobicContact CZ-CB 4.15Å; F240-K246 HydrophobicContact CZ-CD 3.83Å; F240-K246 HydrophobicContact CZ-CG 4.34Å; K246-V387 WeakPolarHBondContact CG-O 3.27Å; K246-V387 WeakPolarHBondContact O-CG1 3.46Å; K246-H388 HydrophobicContact CB-CB 3.69Å; K246-H388 HydrophobicContact CD-CB 4.02Å; K246-H388 HydrophobicContact CG-CB 3.59Å; K246-H388 WeakPolarHBondContact O-CB 3.37Å; K246-H388 PolarHBondContact O-N 3.41Å
247S33.2Very low49.8Very low73 Ų7335.7 Ų35.751%0.5117%0.166SC..SBendtrans-128.3176.9168.8-171.10000110.7G245 R249 T250G245-S247 CarbonylContact C-O 3.48Å; G245-S247 PolarHBondContact O-N 3.34Å; S247-R249 PolarHBondContact O-N 3Å; S247-T250 WeakPolarHBondContact CA-OG1 3.19Å; S247-T250 WeakPolarHBondContact CB-OG1 3.34Å; S247-T250 PolarHBondContact N-OG1 3.49Å; S247-T250 PolarHBondContact O-OG1 3.42Å
248R38.1Very low51.2Low228 Ų22835.5 Ų35.586%0.8617%0.168SC*.SBendtrans-67.917.1173.2-154.1179.1-170.1176.31.1113
249R38.6Very low52.9Low161 Ų16135.6 Ų35.661%0.60817%0.169SC*.SBendtrans-163.966.5-167-59.3-179.3-170163.1-0.1109.6S247 V302 E305S247-R249 PolarHBondContact O-N 3Å; R249-V302 HydrophobicContact CB-CG2 4.47Å; R249-E305 WeakPolarHBondContact CA-OE2 3.45Å
250T41.3Very low54.9Low16 Ų1636 Ų3610%0.09817%0.17CC..  trans-159.914-172-21.20000117.9F240 G245 S247 R252 E305F240-T250 HydrophobicContact CD1-CG2 3.83Å; F240-T250 HydrophobicContact CE1-CG2 3.55Å; G245-T250 PolarHBondContact N-O 3.27Å; S247-T250 WeakPolarHBondContact CA-OG1 3.19Å; S247-T250 WeakPolarHBondContact CB-OG1 3.34Å; S247-T250 PolarHBondContact N-OG1 3.49Å; S247-T250 PolarHBondContact O-OG1 3.42Å; T250-R252 PolarHBondContact O-N 3.08Å; T250-E305 VanDerWaalsContact N-CD 3.32Å; T250-E305 PolarHBondContact N-OE1 3.39Å; T250-E305 PolarHBondContact N-OE2 2.94Å
251L42.4Very low56.9Low24 Ų2435.4 Ų35.413%0.12617%0.167CC..  trans-8085.1156.4-95.9155.3000107.5T244 V253 F255 A258 E305T244-L251 HydrophobicContact CG2-CD2 3.99Å; T244-L251 HydrophobicContact CG2-CG 4.39Å; L251-V253 CarbonylContact C-O 3.25Å; L251-V253 CarbonylContact O-C 3.59Å; L251-V253 PolarHBondContact O-N 3.35Å; L251-F255 HydrophobicContact CD1-CD2 4.49Å; L251-A258 HydrophobicContact CD2-CB 4.17Å; L251-E305 HydrophobicContact CB-CG 4.09Å; L251-E305 PolarHBondContact N-OE1 2.84Å; L251-E305 WeakPolarHBondContact O-CA 3.45Å; L251-E305 WeakPolarHBondContact O-CB 3.15Å; L251-E305 WeakPolarHBondContact O-CG 3.44Å
252R57Low59Low36 Ų3634.2 Ų34.214%0.13616%0.162CC..SBendtrans-58.4-8-175.5-66.6-169.8-173-178.40.3115.2Y236 T250 L304Y236-R252 VanDerWaalsContact CB-NH2 3.35Å; T250-R252 PolarHBondContact O-N 3.08Å; R252-L304 VanDerWaalsContact O-CB 3.25Å; R252-L304 WeakPolarHBondContact O-CB 3.01Å
253V68.1Low61.4Low10 Ų1034 Ų346%0.06116%0.161CC..SBendtrans-132.4149.7168.1-63.70000108.4L251 L257 A258 L261 I280 F308L251-V253 CarbonylContact C-O 3.25Å; L251-V253 CarbonylContact O-C 3.59Å; L251-V253 PolarHBondContact O-N 3.35Å; V253-L257 HydrophobicContact CB-CB 4.43Å; V253-L257 HydrophobicContact CB-CD2 3.97Å; V253-L257 HydrophobicContact CB-CG 4.2Å; V253-L257 HydrophobicContact CG1-CD2 4.18Å; V253-L257 HydrophobicContact CG2-CG 4.47Å; V253-A258 HydrophobicContact CG2-CB 4.09Å; V253-L261 HydrophobicContact CG2-CD1 3.91Å; V253-I280 HydrophobicContact CG1-CD1 4.18Å; V253-F308 HydrophobicContact CB-CD2 4.48Å; V253-F308 HydrophobicContact CG1-CD2 3.95Å; V253-F308 HydrophobicContact CG1-CE2 3.85Å
254P74.4Confident63.9Low24 Ų2434 Ų3416%0.15616%0.161CC..  trans-56.7146.9178.3-24.835.1000111.7S256 L257 A258 L304 F308P254-S256 PolarHBondContact O-N 3.19Å; P254-S256 VanDerWaalsContact O-N 3.13Å; P254-L257 WeakPolarHBondContact O-CA 3.4Å; P254-L257 WeakPolarHBondContact O-CB 3.29Å; P254-L257 PolarHBondContact O-N 3.32Å; P254-A258 PolarHBondContact O-N 2.83Å; P254-L304 WeakPolarHBondContact CD-O 3.24Å; P254-F308 HydrophobicContact CG-CB 4.21Å
255F71.7Confident66.4Low17 Ų1733.6 Ų33.68%0.07516%0.158CC..Hα-helixtrans-52.3-40.9-175.3-178.6-92.3000113.6F25 F27 L251 L257 A258 L259 F384F25-F255 HydrophobicContact CB-CD1 3.55Å; F25-F255 HydrophobicContact CB-CE1 3.44Å; F25-F255 VanDerWaalsContact CB-CE1 3.44Å; F25-F255 HydrophobicContact CB-CZ 4.49Å; F25-F255 HydrophobicContact CD1-CD1 4.09Å; F25-F255 AromaticContact CD1-CE1 3.7Å; F25-F255 HydrophobicContact CD1-CE1 3.7Å; F25-F255 AromaticContact CD2-CD1 3.92Å; F25-F255 HydrophobicContact CD2-CD1 3.92Å; F25-F255 HydrophobicContact CD2-CE1 4.35Å; F25-F255 AromaticContact CG-CD1 3.57Å; F25-F255 HydrophobicContact CG-CD1 3.57Å; F25-F255 AromaticContact CG-CE1 3.57Å; F25-F255 HydrophobicContact CG-CE1 3.57Å; F27-F255 HydrophobicContact CD2-CD1 4.42Å; F27-F255 HydrophobicContact CD2-CG 4.37Å; F27-F255 HydrophobicContact CE2-CB 4.45Å; F27-F255 AromaticContact CE2-CD1 3.82Å; F27-F255 HydrophobicContact CE2-CD1 3.82Å; F27-F255 AromaticContact CE2-CD2 3.65Å; F27-F255 HydrophobicContact CE2-CD2 3.65Å; F27-F255 AromaticContact CE2-CE1 3.92Å; F27-F255 HydrophobicContact CE2-CE1 3.92Å; F27-F255 AromaticContact CE2-CE2 3.75Å; F27-F255 HydrophobicContact CE2-CE2 3.75Å; F27-F255 AromaticContact CE2-CG 3.69Å; F27-F255 HydrophobicContact CE2-CG 3.69Å; F27-F255 AromaticContact CE2-CZ 3.89Å; F27-F255 HydrophobicContact CE2-CZ 3.89Å; F27-F255 AromaticContact CZ-CD2 3.83Å; F27-F255 HydrophobicContact CZ-CD2 3.83Å; F27-F255 AromaticContact CZ-CE2 3.83Å; F27-F255 HydrophobicContact CZ-CE2 3.83Å; F27-F255 HydrophobicContact CZ-CG 4.31Å; F27-F255 HydrophobicContact CZ-CZ 4.32Å; L251-F255 HydrophobicContact CD1-CD2 4.49Å; F255-L257 PolarHBondContact O-N 2.97Å; F255-A258 WeakPolarHBondContact O-CB 3.49Å; F255-A258 PolarHBondContact O-N 2.87Å; F255-A258 VanDerWaalsContact O-N 3.14Å; F255-L259 HydrophobicContact CD1-CD1 4.15Å; F255-L259 HydrophobicContact CD1-CG 4.27Å; F255-L259 HydrophobicContact CE1-CD1 3.53Å; F255-L259 HydrophobicContact CE1-CD2 4.16Å; F255-L259 HydrophobicContact CE1-CG 3.74Å; F255-L259 HydrophobicContact CZ-CD1 4.21Å; F255-L259 HydrophobicContact CZ-CD2 4Å; F255-L259 HydrophobicContact CZ-CG 4.06Å; F255-L259 PolarHBondContact O-N 3.12Å; F255-F384 WeakPolarHBondContact CD2-O 3.5Å; F255-F384 HydrophobicContact CE2-CB 3.78Å; F255-F384 AromaticContact CE2-CD2 3.6Å; F255-F384 HydrophobicContact CE2-CD2 3.6Å; F255-F384 AromaticContact CE2-CG 3.98Å; F255-F384 HydrophobicContact CE2-CG 3.98Å; F255-F384 VanDerWaalsContact CE2-O 3.26Å; F255-F384 WeakPolarHBondContact CE2-O 3.48Å; F255-F384 AromaticContact CZ-CD2 3.72Å; F255-F384 HydrophobicContact CZ-CD2 3.72Å; F255-F384 HydrophobicContact CZ-CE2 4.24Å; F255-F384 HydrophobicContact CZ-CG 4.34Å
256S78.1Confident69Low39 Ų3933.6 Ų33.627%0.27316%0.156SC..Hα-helixtrans-64.4-21.7177.162.40000114.2P254 R260 N312P254-S256 PolarHBondContact O-N 3.19Å; P254-S256 VanDerWaalsContact O-N 3.13Å; S256-R260 WeakPolarHBondContact O-CG 3.28Å; S256-N312 WeakPolarHBondContact CB-ND2 2.98Å; S256-N312 PolarHBondContact O-ND2 3.07Å; S256-N312 VanDerWaalsContact O-ND2 3.11Å; S256-N312 PolarHBondContact OG-ND2 2.84Å
257L82.4Confident71.5Confident0 Ų035.5 Ų35.50%017%0.167CC..Hα-helixtrans-89.3-38.6171.9178.354.8000110.4V253 P254 F255 L259 R260 L261 F308 N312 V315 I316V253-L257 HydrophobicContact CB-CB 4.43Å; V253-L257 HydrophobicContact CB-CD2 3.97Å; V253-L257 HydrophobicContact CB-CG 4.2Å; V253-L257 HydrophobicContact CG1-CD2 4.18Å; V253-L257 HydrophobicContact CG2-CG 4.47Å; P254-L257 WeakPolarHBondContact O-CA 3.4Å; P254-L257 WeakPolarHBondContact O-CB 3.29Å; P254-L257 PolarHBondContact O-N 3.32Å; F255-L257 PolarHBondContact O-N 2.97Å; L257-L259 PolarHBondContact O-N 2.94Å; L257-R260 WeakPolarHBondContact O-CA 3.46Å; L257-R260 WeakPolarHBondContact O-CB 3.47Å; L257-R260 PolarHBondContact O-N 3.37Å; L257-L261 HydrophobicContact CD1-CD1 4.15Å; L257-L261 HydrophobicContact CD1-CG 4.23Å; L257-L261 HydrophobicContact CG-CD1 3.85Å; L257-L261 HydrophobicContact CG-CG 4.45Å; L257-L261 WeakPolarHBondContact O-CD1 3.41Å; L257-L261 WeakPolarHBondContact O-CG 3.27Å; L257-L261 PolarHBondContact O-N 2.82Å; L257-F308 HydrophobicContact CD2-CB 4.4Å; L257-F308 HydrophobicContact CD2-CD1 4.35Å; L257-F308 HydrophobicContact CD2-CD2 3.88Å; L257-F308 HydrophobicContact CD2-CE2 4.25Å; L257-F308 HydrophobicContact CD2-CG 3.94Å; L257-N312 HydrophobicContact CD1-CB 4.22Å; L257-N312 PolarHBondContact N-ND2 3.43Å; L257-V315 HydrophobicContact CD1-CB 4.21Å; L257-V315 HydrophobicContact CD1-CG1 4.21Å; L257-V315 HydrophobicContact CD2-CB 4.27Å; L257-V315 HydrophobicContact CD2-CG1 3.92Å; L257-V315 HydrophobicContact CD2-CG2 4.25Å; L257-I316 HydrophobicContact CD1-CD1 3.77Å; L257-I316 HydrophobicContact CD1-CG1 4.15Å
258A79.2Confident74.3Confident13 Ų1333.2 Ų33.211%0.10715%0.148CC..Hα-helixtrans-54.7-47.7173.900000112L251 V253 P254 F255 R260 L261 W262L251-A258 HydrophobicContact CD2-CB 4.17Å; V253-A258 HydrophobicContact CG2-CB 4.09Å; P254-A258 PolarHBondContact O-N 2.83Å; F255-A258 WeakPolarHBondContact O-CB 3.49Å; F255-A258 PolarHBondContact O-N 2.87Å; F255-A258 VanDerWaalsContact O-N 3.14Å; A258-R260 VanDerWaalsContact C-N 3.25Å; A258-R260 PolarHBondContact O-N 3.48Å; A258-L261 WeakPolarHBondContact O-CB 3.42Å; A258-L261 PolarHBondContact O-N 3.48Å; A258-L261 VanDerWaalsContact O-N 3.12Å; A258-W262 VanDerWaalsContact O-CD1 3.27Å; A258-W262 PolarHBondContact O-N 2.88Å
259L80.4Confident76.8Confident3 Ų322.4 Ų22.42%0.01611%0.108CC..Hα-helixtrans-55.2-39.2173.9-72.5-178.2000113.5F25 F255 L257 L261 W262 D263 F384F25-L259 HydrophobicContact CD1-CD1 3.66Å; F25-L259 HydrophobicContact CE1-CD1 3.4Å; F25-L259 HydrophobicContact CZ-CD1 4.13Å; F255-L259 HydrophobicContact CD1-CD1 4.15Å; F255-L259 HydrophobicContact CD1-CG 4.27Å; F255-L259 HydrophobicContact CE1-CD1 3.53Å; F255-L259 HydrophobicContact CE1-CD2 4.16Å; F255-L259 HydrophobicContact CE1-CG 3.74Å; F255-L259 HydrophobicContact CZ-CD1 4.21Å; F255-L259 HydrophobicContact CZ-CD2 4Å; F255-L259 HydrophobicContact CZ-CG 4.06Å; F255-L259 PolarHBondContact O-N 3.12Å; L257-L259 PolarHBondContact O-N 2.94Å; L259-L261 VanDerWaalsContact C-N 3.33Å; L259-W262 PolarHBondContact O-N 3.17Å; L259-D263 VanDerWaalsContact O-CG 3.31Å; L259-D263 PolarHBondContact O-N 2.78Å; L259-F384 HydrophobicContact CD2-CD2 4.02Å; L259-F384 HydrophobicContact CD2-CE2 3.48Å; L259-F384 VanDerWaalsContact CD2-CE2 3.48Å
260R87Confident79.1Confident21 Ų2115.4 Ų15.48%0.0798%0.082CC..Hα-helixtrans-76.2-23.4-178.7-73.1-69.5-60.3-78.2-3.9113.1Y70 G72 S256 L257 A258 I264 D313 I316Y70-R260 PolarHBondContact O-NH2 3.28Å; G72-R260 VanDerWaalsContact CA-CD 3.49Å; S256-R260 WeakPolarHBondContact O-CG 3.28Å; L257-R260 WeakPolarHBondContact O-CA 3.46Å; L257-R260 WeakPolarHBondContact O-CB 3.47Å; L257-R260 PolarHBondContact O-N 3.37Å; A258-R260 VanDerWaalsContact C-N 3.25Å; A258-R260 PolarHBondContact O-N 3.48Å; R260-I264 WeakPolarHBondContact O-CD1 3.45Å; R260-I264 WeakPolarHBondContact O-CG1 3.29Å; R260-D313 IonicContact CZ-OD1 3.64Å; R260-D313 IonicContact NH1-OD1 2.76Å; R260-D313 PolarHBondContact NH1-OD1 3.35Å; R260-D313 IonicContact NH2-OD1 3.27Å; R260-D313 PolarHBondContact NH2-OD1 2.97Å; R260-I316 HydrophobicContact CB-CD1 4.24Å; R260-I316 HydrophobicContact CB-CG1 4.29Å
261L86.9Confident81.5Confident6 Ų615 Ų153%0.0318%0.08CC..Hα-helixtrans-78.6-41.6171.2-68.5158.1000110.4F241 V253 L257 A258 L259 D263 I264 Y265 M276 I316 L319F241-L261 HydrophobicContact CE1-CB 4.11Å; F241-L261 HydrophobicContact CE1-CD1 3.7Å; F241-L261 HydrophobicContact CE1-CD2 4.03Å; F241-L261 HydrophobicContact CE1-CG 4.15Å; F241-L261 HydrophobicContact CZ-CD1 3.59Å; F241-L261 HydrophobicContact CZ-CD2 4.2Å; F241-L261 HydrophobicContact CZ-CG 4.39Å; V253-L261 HydrophobicContact CG2-CD1 3.91Å; L257-L261 HydrophobicContact CD1-CD1 4.15Å; L257-L261 HydrophobicContact CD1-CG 4.23Å; L257-L261 HydrophobicContact CG-CD1 3.85Å; L257-L261 HydrophobicContact CG-CG 4.45Å; L257-L261 WeakPolarHBondContact O-CD1 3.41Å; L257-L261 WeakPolarHBondContact O-CG 3.27Å; L257-L261 PolarHBondContact O-N 2.82Å; A258-L261 WeakPolarHBondContact O-CB 3.42Å; A258-L261 PolarHBondContact O-N 3.48Å; A258-L261 VanDerWaalsContact O-N 3.12Å; L259-L261 VanDerWaalsContact C-N 3.33Å; L261-D263 PolarHBondContact O-N 3.38Å; L261-I264 CarbonylContact O-C 3.57Å; L261-I264 PolarHBondContact O-N 3.35Å; L261-I264 VanDerWaalsContact O-N 3.13Å; L261-Y265 WeakPolarHBondContact O-CB 3.37Å; L261-Y265 PolarHBondContact O-N 3.42Å; L261-M276 HydrophobicContact CD2-CB 4.41Å; L261-M276 HydrophobicContact CD2-CE 4.37Å; L261-M276 HydrophobicContact CD2-CG 3.77Å; L261-M276 HydrophobicContact CD2-SD 4.22Å; L261-I316 HydrophobicContact CD2-CD1 3.95Å; L261-I316 HydrophobicContact CG-CD1 4.26Å; L261-L319 HydrophobicContact CD2-CD2 3.59Å
262W86Confident83.7Confident11 Ų1114 Ų144%0.0427%0.074CC..Hα-helixtrans-59-44.2170.4-81105.2000112.4W82 V167 L183 M191 L242 A258 L259 I264 Y265 M266W82-W262 HydrophobicContact CH2-CB 3.68Å; W82-W262 HydrophobicContact CH2-CG 4.28Å; W82-W262 HydrophobicContact CZ2-CB 3.47Å; W82-W262 VanDerWaalsContact CZ2-CB 3.47Å; W82-W262 HydrophobicContact CZ2-CG 4.5Å; V167-W262 HydrophobicContact CG1-CD2 3.93Å; V167-W262 HydrophobicContact CG1-CE3 3.92Å; V167-W262 HydrophobicContact CG1-CG 4.46Å; V167-W262 HydrophobicContact CG1-CH2 4.36Å; V167-W262 HydrophobicContact CG1-CZ2 4.42Å; V167-W262 HydrophobicContact CG1-CZ3 4.12Å; V167-W262 HydrophobicContact CG2-CD2 4.29Å; V167-W262 HydrophobicContact CG2-CH2 3.62Å; V167-W262 HydrophobicContact CG2-CZ2 3.37Å; V167-W262 HydrophobicContact CG2-CZ3 4.2Å; L183-W262 HydrophobicContact CD1-CZ3 4.29Å; M191-W262 HydrophobicContact CE-CH2 3.43Å; M191-W262 VanDerWaalsContact CE-CH2 3.43Å; M191-W262 HydrophobicContact CE-CZ3 3.69Å; L242-W262 HydrophobicContact CD2-CH2 3.82Å; L242-W262 HydrophobicContact CD2-CZ2 3.96Å; L242-W262 HydrophobicContact CD2-CZ3 4.36Å; A258-W262 VanDerWaalsContact O-CD1 3.27Å; A258-W262 PolarHBondContact O-N 2.88Å; L259-W262 PolarHBondContact O-N 3.17Å; W262-I264 PolarHBondContact O-N 2.88Å; W262-I264 VanDerWaalsContact O-N 3.1Å; W262-Y265 AromaticContact CE3-CD1 3.92Å; W262-Y265 HydrophobicContact CE3-CD1 3.92Å; W262-Y265 HydrophobicContact CE3-CG 4.47Å; W262-Y265 AromaticContact CZ3-CD1 3.78Å; W262-Y265 HydrophobicContact CZ3-CD1 3.78Å; W262-Y265 HydrophobicContact CZ3-CE1 4.17Å; W262-Y265 WeakPolarHBondContact O-CB 3.28Å; W262-Y265 PolarHBondContact O-N 3Å; W262-M266 HydrophobicContact CE3-CE 3.76Å; W262-M266 HydrophobicContact CE3-SD 4.29Å; W262-M266 HydrophobicContact CZ3-CE 4.15Å; W262-M266 WeakPolarHBondContact O-CG 3.49Å; W262-M266 PolarHBondContact O-N 3.11Å
263D90.4Very high85.1Confident0 Ų012.3 Ų12.30%07%0.068CC..Hα-helixtrans-50.3-37.4173.5-74.2-11.1000112.9I69 V73 R78 W82 L259 L261I69-D263 HydrophobicContact CG2-CB 4.33Å; I69-D263 WeakPolarHBondContact CG2-O 3.17Å; V73-D263 WeakPolarHBondContact CB-OD2 3.2Å; V73-D263 HydrophobicContact CG2-CB 4.13Å; V73-D263 PolarHBondContact N-OD2 3.41Å; R78-D263 IonicContact CZ-OD1 3.78Å; R78-D263 VanDerWaalsContact CZ-OD1 3.3Å; R78-D263 IonicContact CZ-OD2 3.39Å; R78-D263 IonicContact NE-OD1 2.79Å; R78-D263 PolarHBondContact NE-OD1 2.92Å; R78-D263 IonicContact NH2-OD1 2.94Å; R78-D263 PolarHBondContact NH2-OD1 3.24Å; R78-D263 IonicContact NH2-OD2 3.32Å; R78-D263 PolarHBondContact NH2-OD2 3.42Å; W82-D263 PolarHBondContact NE1-OD1 3.1Å; L259-D263 VanDerWaalsContact O-CG 3.31Å; L259-D263 PolarHBondContact O-N 2.78Å; L261-D263 PolarHBondContact O-N 3.38Å
264I92.8Very high85.9Confident0 Ų011.8 Ų11.80%07%0.065CC..Hα-helixtrans-88.3-31.5-179.4-60165.3000111.4I69 Y70 R260 L261 W262 L267 E268 V272 I316 L319I69-I264 HydrophobicContact CG2-CG1 4.15Å; Y70-I264 HydrophobicContact CD1-CD1 3.9Å; Y70-I264 HydrophobicContact CD1-CG1 4.46Å; Y70-I264 HydrophobicContact CD2-CG1 4.27Å; Y70-I264 HydrophobicContact CD2-CG2 4.47Å; Y70-I264 HydrophobicContact CE1-CD1 4.1Å; Y70-I264 HydrophobicContact CE1-CG2 4.14Å; Y70-I264 HydrophobicContact CE2-CG1 4.4Å; Y70-I264 HydrophobicContact CE2-CG2 3.79Å; Y70-I264 HydrophobicContact CG-CD1 4.18Å; Y70-I264 HydrophobicContact CG-CG1 4.33Å; R260-I264 WeakPolarHBondContact O-CD1 3.45Å; R260-I264 WeakPolarHBondContact O-CG1 3.29Å; L261-I264 CarbonylContact O-C 3.57Å; L261-I264 PolarHBondContact O-N 3.35Å; L261-I264 VanDerWaalsContact O-N 3.13Å; W262-I264 PolarHBondContact O-N 2.88Å; W262-I264 VanDerWaalsContact O-N 3.1Å; I264-L267 PolarHBondContact O-N 3.23Å; I264-E268 HydrophobicContact CG2-CG 3.88Å; I264-E268 PolarHBondContact O-N 2.93Å; I264-V272 HydrophobicContact CG2-CG2 3.91Å; I264-I316 HydrophobicContact CD1-CD1 3.9Å; I264-I316 HydrophobicContact CD1-CG2 3.59Å; I264-L319 HydrophobicContact CD1-CD2 4.43Å
265Y90.3Very high86.7Confident4 Ų410.7 Ų10.72%0.0166%0.058CC..Hα-helixtrans-58.2-50.4175.7-170.9-102.3000110.5L183 H189 M191 L242 L261 W262 L267 E268 G269 V272 L273L183-Y265 HydrophobicContact CD2-CD1 4.32Å; L183-Y265 HydrophobicContact CD2-CE1 3.99Å; H189-Y265 HydrophobicContact CB-CE1 3.91Å; H189-Y265 WeakPolarHBondContact CB-OH 3.07Å; H189-Y265 AromaticContact CD2-CD1 3.6Å; H189-Y265 AromaticContact CD2-CE1 3.3Å; H189-Y265 WeakPolarHBondContact CD2-CE1 3.47Å; H189-Y265 AromaticContact CD2-CZ 3.8Å; H189-Y265 PolarHBondContact CD2-O 3.21Å; H189-Y265 AromaticContact CG-CE1 3.89Å; H189-Y265 PolarHBondContact NE2-O 3.14Å; H189-Y265 VanDerWaalsContact NE2-O 3.12Å; H189-Y265 PolarHBondContact O-OH 3.31Å; M191-Y265 HydrophobicContact CE-CD1 4.22Å; M191-Y265 HydrophobicContact CE-CE1 3.31Å; M191-Y265 WeakPolarHBondContact CG-OH 3.5Å; L242-Y265 HydrophobicContact CD2-CD1 4.43Å; L242-Y265 HydrophobicContact CD2-CD2 4.32Å; L242-Y265 HydrophobicContact CD2-CE1 4.11Å; L242-Y265 HydrophobicContact CD2-CE2 4.02Å; L261-Y265 WeakPolarHBondContact O-CB 3.37Å; L261-Y265 PolarHBondContact O-N 3.42Å; W262-Y265 AromaticContact CE3-CD1 3.92Å; W262-Y265 HydrophobicContact CE3-CD1 3.92Å; W262-Y265 HydrophobicContact CE3-CG 4.47Å; W262-Y265 AromaticContact CZ3-CD1 3.78Å; W262-Y265 HydrophobicContact CZ3-CD1 3.78Å; W262-Y265 HydrophobicContact CZ3-CE1 4.17Å; W262-Y265 WeakPolarHBondContact O-CB 3.28Å; W262-Y265 PolarHBondContact O-N 3Å; Y265-L267 PolarHBondContact O-N 3.2Å; Y265-E268 PolarHBondContact O-N 3.45Å; Y265-G269 WeakPolarHBondContact O-CA 3.33Å; Y265-G269 PolarHBondContact O-N 2.91Å; Y265-V272 HydrophobicContact CD2-CB 4.22Å; Y265-L273 HydrophobicContact CD2-CD2 4.11Å; Y265-L273 HydrophobicContact CE2-CD1 4.18Å; Y265-L273 HydrophobicContact CE2-CD2 3.68Å; Y265-L273 HydrophobicContact CE2-CG 3.88Å
266M90Very high87.5Confident6 Ų69.9 Ų9.93%0.035%0.054CC..Hα-helixtrans-58.7-7.7174.8-52.8-51.2-168.700114.4W82 L85 L86 V167 L168 L183 W262W82-M266 HydrophobicContact CB-CG 4.38Å; W82-M266 HydrophobicContact CD2-CE 3.64Å; W82-M266 HydrophobicContact CD2-CG 4.06Å; W82-M266 HydrophobicContact CE3-CE 3.58Å; W82-M266 HydrophobicContact CG-CE 4.12Å; W82-M266 HydrophobicContact CG-CG 3.82Å; W82-M266 HydrophobicContact CH2-CE 4.28Å; W82-M266 HydrophobicContact CZ2-CE 4.38Å; W82-M266 HydrophobicContact CZ3-CE 3.93Å; L85-M266 HydrophobicContact CB-CB 4.16Å; L85-M266 WeakPolarHBondContact CB-O 3.28Å; L85-M266 HydrophobicContact CD1-CB 3.77Å; L86-M266 HydrophobicContact CD1-CE 4.43Å; L86-M266 HydrophobicContact CD1-SD 4.06Å; L86-M266 HydrophobicContact CD2-SD 4.04Å; L86-M266 HydrophobicContact CG-SD 4.24Å; V167-M266 HydrophobicContact CG1-CE 4.12Å; L168-M266 HydrophobicContact CD2-CE 4.49Å; L183-M266 HydrophobicContact CD1-CE 4.17Å; L183-M266 HydrophobicContact CD1-SD 4.33Å; L183-M266 HydrophobicContact CD2-SD 3.78Å; W262-M266 HydrophobicContact CE3-CE 3.76Å; W262-M266 HydrophobicContact CE3-SD 4.29Å; W262-M266 HydrophobicContact CZ3-CE 4.15Å; W262-M266 WeakPolarHBondContact O-CG 3.49Å; W262-M266 PolarHBondContact O-N 3.11Å
267L94Very high87.8Confident53 Ų538 Ų828%0.2774%0.041SC..Hα-helixtrans-114.2-42.2-177.617972000113.9K66 I69 Y70 L85 I264 Y265K66-L267 HydrophobicContact CB-CD2 4.09Å; K66-L267 HydrophobicContact CD-CD2 4.44Å; K66-L267 HydrophobicContact CG-CD2 3.91Å; I69-L267 HydrophobicContact CB-CD2 4.05Å; I69-L267 HydrophobicContact CD1-CB 4.24Å; I69-L267 HydrophobicContact CD1-CD1 3.86Å; I69-L267 HydrophobicContact CD1-CD2 3.76Å; I69-L267 HydrophobicContact CD1-CG 4.16Å; I69-L267 HydrophobicContact CG1-CD2 4.49Å; I69-L267 HydrophobicContact CG2-CB 4.33Å; I69-L267 HydrophobicContact CG2-CD2 3.89Å; Y70-L267 HydrophobicContact CE2-CD2 4.29Å; L85-L267 HydrophobicContact CD2-CD1 3.86Å; I264-L267 PolarHBondContact O-N 3.23Å; Y265-L267 PolarHBondContact O-N 3.2Å
268E91.9Very high88.1Confident26 Ų268.1 Ų8.112%0.1214%0.042CC..Hα-helixtrans-102.3-14.5-178.1-48.6-76.2132.200113.4K66 Y70 I264 Y265 V271 V272 R327K66-E268 WeakPolarHBondContact CE-OE1 3.05Å; K66-E268 IonicContact NZ-OE1 2.88Å; K66-E268 PolarHBondContact NZ-OE1 3.46Å; K66-E268 IonicContact NZ-OE2 2.63Å; K66-E268 PolarHBondContact NZ-OE2 3.37Å; Y70-E268 HydrophobicContact CE2-CG 4.32Å; Y70-E268 WeakPolarHBondContact OH-CG 3.33Å; I264-E268 HydrophobicContact CG2-CG 3.88Å; I264-E268 PolarHBondContact O-N 2.93Å; Y265-E268 PolarHBondContact O-N 3.45Å; E268-V271 HydrophobicContact CB-CG2 3.77Å; E268-V271 VanDerWaalsContact O-CG2 3.25Å; E268-V271 WeakPolarHBondContact O-CG2 3.45Å; E268-V272 HydrophobicContact CB-CG2 3.77Å; E268-V272 HydrophobicContact CG-CG2 4.22Å; E268-R327 IonicContact OE2-CZ 3.23Å; E268-R327 IonicContact OE2-NH1 3.81Å; E268-R327 IonicContact OE2-NH2 3.94Å; E268-R327 PolarHBondContact OE2-NH2 3.19Å
269G90Very high88.7Confident1 Ų17.5 Ų7.51%0.014%0.037CC..THydrogen-bonded Turntrans78.7-156.5-175.700000115A188 Y265 V271 V272A188-G269 CarbonylContact O-C 3.56Å; A188-G269 WeakPolarHBondContact O-CA 3.18Å; Y265-G269 WeakPolarHBondContact O-CA 3.33Å; Y265-G269 PolarHBondContact O-N 2.91Å; G269-V271 PolarHBondContact O-N 3.18Å; G269-V271 VanDerWaalsContact O-N 3.13Å; G269-V272 WeakPolarHBondContact O-CG2 3.37Å; G269-V272 PolarHBondContact O-N 2.71Å
270D87.1Confident89Confident14 Ų147.6 Ų7.68%0.0754%0.037CC..THydrogen-bonded Turntrans-63.8-17.9-17269.514000115.5A188 K201 F205 V272 L273A188-D270 PolarHBondContact O-N 3.03Å; K201-D270 WeakPolarHBondContact CE-OD2 3.32Å; K201-D270 IonicContact NZ-OD2 2.77Å; K201-D270 PolarHBondContact NZ-OD2 3.41Å; F205-D270 HydrophobicContact CE1-CB 4.27Å; F205-D270 HydrophobicContact CZ-CB 4Å; F205-D270 WeakPolarHBondContact CZ-OD2 3.42Å; D270-V272 PolarHBondContact O-N 3.05Å; D270-V272 VanDerWaalsContact O-N 3.11Å; D270-L273 HydrophobicContact CB-CD1 3.98Å; D270-L273 VanDerWaalsContact O-CB 3.24Å; D270-L273 WeakPolarHBondContact O-CB 3.45Å; D270-L273 WeakPolarHBondContact O-CG 3.47Å; D270-L273 PolarHBondContact O-N 3.41Å
271V91Very high89.1Confident8 Ų86.7 Ų6.75%0.0483%0.034CC..Hα-helixtrans-59-22.3173.4-57.10000113.7E268 G269 L273 A275 L332E268-V271 HydrophobicContact CB-CG2 3.77Å; E268-V271 VanDerWaalsContact O-CG2 3.25Å; E268-V271 WeakPolarHBondContact O-CG2 3.45Å; G269-V271 PolarHBondContact O-N 3.18Å; G269-V271 VanDerWaalsContact O-N 3.13Å; V271-L273 VanDerWaalsContact C-N 3.32Å; V271-A275 WeakPolarHBondContact O-CB 3.27Å; V271-A275 PolarHBondContact O-N 3.1Å; V271-L332 HydrophobicContact CB-CD1 3.97Å; V271-L332 HydrophobicContact CB-CD2 4.33Å; V271-L332 HydrophobicContact CB-CG 3.93Å; V271-L332 HydrophobicContact CG1-CG 4.26Å; V271-L332 HydrophobicContact CG2-CD2 4.49Å
272V89.4Confident89.3Confident1 Ų111.1 Ų11.11%0.0065%0.053CC..Hα-helixtrans-65.4-36.2174.6-179.60000111.3I264 Y265 E268 G269 D270 A275 M276 L319I264-V272 HydrophobicContact CG2-CG2 3.91Å; Y265-V272 HydrophobicContact CD2-CB 4.22Å; E268-V272 HydrophobicContact CB-CG2 3.77Å; E268-V272 HydrophobicContact CG-CG2 4.22Å; G269-V272 WeakPolarHBondContact O-CG2 3.37Å; G269-V272 PolarHBondContact O-N 2.71Å; D270-V272 PolarHBondContact O-N 3.05Å; D270-V272 VanDerWaalsContact O-N 3.11Å; V272-A275 PolarHBondContact O-N 3.29Å; V272-M276 WeakPolarHBondContact O-CB 3.34Å; V272-M276 PolarHBondContact O-N 2.98Å; V272-L319 HydrophobicContact CG1-CD2 4.44Å
273L85.4Confident89.5Confident1 Ų114 Ų141%0.0057%0.069CC..Hα-helixtrans-59.4-53179.7-48.3171.8000109.2F194 F205 Y238 F241 L242 Y265 D270 V271 M276 A277F194-L273 HydrophobicContact CE2-CD1 3.5Å; F194-L273 VanDerWaalsContact CE2-CD1 3.5Å; F194-L273 HydrophobicContact CZ-CD1 3.49Å; F194-L273 VanDerWaalsContact CZ-CD1 3.49Å; F205-L273 HydrophobicContact CE1-CD1 4.49Å; Y238-L273 HydrophobicContact CD1-CB 4.21Å; Y238-L273 HydrophobicContact CE1-CB 4.35Å; F241-L273 HydrophobicContact CB-CD2 3.71Å; F241-L273 HydrophobicContact CD1-CD2 4.17Å; F241-L273 HydrophobicContact CG-CD2 4.29Å; L242-L273 HydrophobicContact CD1-CD1 4.23Å; L242-L273 HydrophobicContact CD1-CD2 4.1Å; L242-L273 HydrophobicContact CD2-CD2 3.8Å; L242-L273 HydrophobicContact CG-CD2 3.72Å; Y265-L273 HydrophobicContact CD2-CD2 4.11Å; Y265-L273 HydrophobicContact CE2-CD1 4.18Å; Y265-L273 HydrophobicContact CE2-CD2 3.68Å; Y265-L273 HydrophobicContact CE2-CG 3.88Å; D270-L273 HydrophobicContact CB-CD1 3.98Å; D270-L273 VanDerWaalsContact O-CB 3.24Å; D270-L273 WeakPolarHBondContact O-CB 3.45Å; D270-L273 WeakPolarHBondContact O-CG 3.47Å; D270-L273 PolarHBondContact O-N 3.41Å; V271-L273 VanDerWaalsContact C-N 3.32Å; L273-M276 PolarHBondContact O-N 2.65Å; L273-A277 VanDerWaalsContact O-CB 3.3Å; L273-A277 WeakPolarHBondContact O-CB 3.26Å; L273-A277 PolarHBondContact O-N 3.46Å
274T85.6Confident89.5Confident0 Ų015.2 Ų15.20%07%0.074CC..Hα-helixtrans-62.4-49178.5-520000112.5F205 I212 Y238 M276 F278F205-T274 WeakPolarHBondContact CD1-OG1 3.48Å; F205-T274 WeakPolarHBondContact CE1-OG1 3.36Å; I212-T274 HydrophobicContact CD1-CG2 3.31Å; Y238-T274 WeakPolarHBondContact OH-CA 2.96Å; T274-M276 VanDerWaalsContact C-N 3.31Å; T274-M276 PolarHBondContact O-N 3.42Å; T274-F278 WeakPolarHBondContact O-CB 3.22Å; T274-F278 PolarHBondContact O-N 2.88Å; T274-F278 VanDerWaalsContact O-N 3.1Å
275A91.1Very high89.4Confident0 Ų018 Ų180%09%0.087CC..Hα-helixtrans-66.8-33.4-177.900000112.6V271 V272 T279 L319 I323 L326 L332V271-A275 WeakPolarHBondContact O-CB 3.27Å; V271-A275 PolarHBondContact O-N 3.1Å; V272-A275 PolarHBondContact O-N 3.29Å; A275-T279 WeakPolarHBondContact O-CB 3.36Å; A275-T279 PolarHBondContact O-N 3.49Å; A275-T279 PolarHBondContact O-OG1 2.94Å; A275-L319 HydrophobicContact CB-CD1 3.77Å; A275-I323 HydrophobicContact CB-CD1 4.18Å; A275-I323 HydrophobicContact CB-CG1 3.34Å; A275-L326 HydrophobicContact CB-CD1 4.23Å; A275-L332 HydrophobicContact CB-CD1 3.9Å
276M89Confident89.5Confident0 Ų028.8 Ų28.80%013%0.128CC..Hα-helixtrans-84.1-38.1-179.3-168.652.1-175.600112.9F241 L261 V272 L273 T274 F278 T279 I280 F308 V315 L319F241-M276 HydrophobicContact CE1-CB 4.03Å; F241-M276 HydrophobicContact CE1-CG 3.86Å; F241-M276 HydrophobicContact CE2-CB 4.05Å; F241-M276 HydrophobicContact CE2-CG 3.64Å; F241-M276 HydrophobicContact CZ-CB 3.68Å; F241-M276 HydrophobicContact CZ-CG 3.13Å; L261-M276 HydrophobicContact CD2-CB 4.41Å; L261-M276 HydrophobicContact CD2-CE 4.37Å; L261-M276 HydrophobicContact CD2-CG 3.77Å; L261-M276 HydrophobicContact CD2-SD 4.22Å; V272-M276 WeakPolarHBondContact O-CB 3.34Å; V272-M276 PolarHBondContact O-N 2.98Å; L273-M276 PolarHBondContact O-N 2.65Å; T274-M276 VanDerWaalsContact C-N 3.31Å; T274-M276 PolarHBondContact O-N 3.42Å; M276-F278 VanDerWaalsContact C-N 3.25Å; M276-F278 PolarHBondContact O-N 3.24Å; M276-T279 PolarHBondContact O-N 2.99Å; M276-T279 HydrophobicContact SD-CG2 3.99Å; M276-I280 HydrophobicContact CE-CD1 4.1Å; M276-I280 HydrophobicContact CE-CG1 3.65Å; M276-I280 HydrophobicContact CG-CD1 4.44Å; M276-I280 HydrophobicContact CG-CG1 4.44Å; M276-I280 WeakPolarHBondContact O-CG1 3.09Å; M276-I280 PolarHBondContact O-N 3.4Å; M276-I280 HydrophobicContact SD-CG1 4.27Å; M276-F308 HydrophobicContact CE-CE2 4.19Å; M276-F308 HydrophobicContact CE-CZ 3.92Å; M276-V315 HydrophobicContact CE-CG1 3.41Å; M276-V315 VanDerWaalsContact CE-CG1 3.41Å; M276-V315 HydrophobicContact SD-CG1 4.38Å; M276-L319 HydrophobicContact CB-CD1 3.76Å; M276-L319 HydrophobicContact CB-CD2 4.34Å; M276-L319 HydrophobicContact CG-CD1 4.4Å; M276-L319 HydrophobicContact CG-CD2 4.43Å; M276-L319 HydrophobicContact SD-CB 4.15Å; M276-L319 HydrophobicContact SD-CD1 4.08Å; M276-L319 HydrophobicContact SD-CD2 4.13Å; M276-L319 HydrophobicContact SD-CG 4.35Å
277A84.6Confident89.6Confident0 Ų032.8 Ų32.80%014%0.143CC..Hα-helixtrans-56.8-41.216900000111.6W237 Y238 L273W237-A277 HydrophobicContact CB-CB 4.46Å; W237-A277 HydrophobicContact CE3-CB 4.16Å; Y238-A277 HydrophobicContact CE1-CB 4.44Å; Y238-A277 HydrophobicContact CE2-CB 4.34Å; Y238-A277 WeakPolarHBondContact OH-CB 3.06Å; L273-A277 VanDerWaalsContact O-CB 3.3Å; L273-A277 WeakPolarHBondContact O-CB 3.26Å; L273-A277 PolarHBondContact O-N 3.46Å
278F88.8Confident89.3Confident2 Ų230.2 Ų30.21%0.00913%0.13CC..Hα-helixtrans-63.8-42.5169.1172.7-101000113.3H209 I212 L213 R216 L217 T274 M276 L281 K282 L326H209-F278 PolarHBondContact NE2-N 3.33Å; I212-F278 HydrophobicContact CG2-CD2 3.61Å; I212-F278 HydrophobicContact CG2-CE2 4.04Å; I212-F278 HydrophobicContact CG2-CG 4.19Å; L213-F278 HydrophobicContact CD2-CD2 4.26Å; R216-F278 HydrophobicContact CB-CE2 3.58Å; R216-F278 HydrophobicContact CB-CZ 4Å; R216-F278 HydrophobicContact CG-CE2 4.22Å; R216-F278 HydrophobicContact CG-CZ 4.45Å; L217-F278 HydrophobicContact CD1-CD2 4.17Å; L217-F278 HydrophobicContact CD1-CE2 3.73Å; L217-F278 HydrophobicContact CD1-CZ 4.46Å; L217-F278 HydrophobicContact CG-CE2 3.89Å; T274-F278 WeakPolarHBondContact O-CB 3.22Å; T274-F278 PolarHBondContact O-N 2.88Å; T274-F278 VanDerWaalsContact O-N 3.1Å; M276-F278 VanDerWaalsContact C-N 3.25Å; M276-F278 PolarHBondContact O-N 3.24Å; F278-L281 PolarHBondContact O-N 3.11Å; F278-K282 HydrophobicContact CE1-CD 4.07Å; F278-K282 HydrophobicContact CZ-CD 4.2Å; F278-K282 WeakPolarHBondContact O-CB 2.95Å; F278-K282 PolarHBondContact O-N 3.39Å; F278-L326 HydrophobicContact CB-CD1 4.46Å; F278-L326 HydrophobicContact CD1-CD1 4.01Å; F278-L326 HydrophobicContact CD1-CG 4.46Å; F278-L326 HydrophobicContact CG-CD1 4.32Å
279T91Very high89.3Confident1 Ų132.1 Ų32.11%0.00614%0.14CC..Hα-helixtrans-67-39.9-176.9-62.80000112.8A275 M276 K282 L283 A318 L319 S322A275-T279 WeakPolarHBondContact O-CB 3.36Å; A275-T279 PolarHBondContact O-N 3.49Å; A275-T279 PolarHBondContact O-OG1 2.94Å; M276-T279 PolarHBondContact O-N 2.99Å; M276-T279 HydrophobicContact SD-CG2 3.99Å; T279-K282 PolarHBondContact O-N 2.86Å; T279-L283 HydrophobicContact CG2-CD1 3.79Å; T279-L283 HydrophobicContact CG2-CG 4.14Å; T279-L283 WeakPolarHBondContact O-CB 3.46Å; T279-L283 WeakPolarHBondContact O-CG 2.99Å; T279-L283 PolarHBondContact O-N 2.79Å; T279-A318 HydrophobicContact CG2-CB 4.09Å; T279-L319 HydrophobicContact CG2-CB 4.38Å; T279-S322 WeakPolarHBondContact OG1-CB 3.37Å; T279-S322 PolarHBondContact OG1-OG 3.39Å
280I87.4Confident89.4Confident5 Ų540.2 Ų40.23%0.02618%0.175CC..Hα-helixtrans-59.4-52.4175.5-64.9173.5000110W237 F241 V253 M276 K282 L283 H284 L304 F308W237-I280 HydrophobicContact CH2-CG2 4.05Å; W237-I280 HydrophobicContact CZ3-CB 3.95Å; W237-I280 HydrophobicContact CZ3-CD1 4.41Å; W237-I280 HydrophobicContact CZ3-CG2 3.78Å; F241-I280 HydrophobicContact CE2-CD1 3.83Å; V253-I280 HydrophobicContact CG1-CD1 4.18Å; M276-I280 HydrophobicContact CE-CD1 4.1Å; M276-I280 HydrophobicContact CE-CG1 3.65Å; M276-I280 HydrophobicContact CG-CD1 4.44Å; M276-I280 HydrophobicContact CG-CG1 4.44Å; M276-I280 WeakPolarHBondContact O-CG1 3.09Å; M276-I280 PolarHBondContact O-N 3.4Å; M276-I280 HydrophobicContact SD-CG1 4.27Å; I280-K282 VanDerWaalsContact C-N 3.3Å; I280-K282 PolarHBondContact O-N 2.98Å; I280-L283 PolarHBondContact O-N 3.32Å; I280-H284 PolarHBondContact O-CD2 3.28Å; I280-H284 PolarHBondContact O-N 2.86Å; I280-H284 VanDerWaalsContact O-N 3.1Å; I280-L304 HydrophobicContact CG2-CD1 3.8Å; I280-F308 HydrophobicContact CD1-CE2 4.28Å; I280-F308 HydrophobicContact CG1-CE2 3.85Å; I280-F308 HydrophobicContact CG1-CZ 3.86Å; I280-F308 HydrophobicContact CG2-CE2 4.5Å
281L87.9Confident89.4Confident2 Ų240 Ų401%0.0117%0.173CC..Hα-helixtrans-58.2-42.1177.9-72.9172.9000111.9L213 L217 L220 L224 W237 F278 E285 L288L213-L281 HydrophobicContact CD1-CD1 3.82Å; L213-L281 HydrophobicContact CD2-CD1 3.76Å; L213-L281 HydrophobicContact CG-CD1 4.42Å; L217-L281 HydrophobicContact CD1-CB 4.34Å; L220-L281 HydrophobicContact CD2-CB 3.99Å; L220-L281 HydrophobicContact CD2-CD2 4.36Å; L224-L281 HydrophobicContact CD1-CD2 4.24Å; W237-L281 HydrophobicContact CH2-CD1 4.29Å; W237-L281 HydrophobicContact CH2-CD2 3.41Å; W237-L281 VanDerWaalsContact CH2-CD2 3.41Å; W237-L281 HydrophobicContact CH2-CG 3.57Å; W237-L281 HydrophobicContact CZ2-CD1 4.46Å; W237-L281 HydrophobicContact CZ2-CD2 3.66Å; W237-L281 HydrophobicContact CZ2-CG 4.1Å; W237-L281 HydrophobicContact CZ3-CD2 4.32Å; W237-L281 HydrophobicContact CZ3-CG 3.98Å; F278-L281 PolarHBondContact O-N 3.11Å; L281-E285 WeakPolarHBondContact O-CA 3.21Å; L281-E285 PolarHBondContact O-N 3.39Å; L281-L288 HydrophobicContact CD2-CD1 3.71Å
282K91.2Very high89.1Confident99 Ų9942.5 Ų42.543%0.4319%0.187SC..Hα-helixtrans-65.1-42.9177-171.1-169.2173.5-152.40113.1L217 F278 T279 I280 H284L217-K282 HydrophobicContact CD1-CB 4.1Å; L217-K282 HydrophobicContact CD2-CG 4.3Å; F278-K282 HydrophobicContact CE1-CD 4.07Å; F278-K282 HydrophobicContact CZ-CD 4.2Å; F278-K282 WeakPolarHBondContact O-CB 2.95Å; F278-K282 PolarHBondContact O-N 3.39Å; T279-K282 PolarHBondContact O-N 2.86Å; I280-K282 VanDerWaalsContact C-N 3.3Å; I280-K282 PolarHBondContact O-N 2.98Å; K282-H284 VanDerWaalsContact C-N 3.29Å; K282-H284 PolarHBondContact O-N 3.41Å
283L91.7Very high88.5Confident72 Ų7247.2 Ų47.238%0.37721%0.207SC..Hα-helixtrans-68.4-30.1-179-75.1174.7000112.4T279 I280 F308 V315 A318T279-L283 HydrophobicContact CG2-CD1 3.79Å; T279-L283 HydrophobicContact CG2-CG 4.14Å; T279-L283 WeakPolarHBondContact O-CB 3.46Å; T279-L283 WeakPolarHBondContact O-CG 2.99Å; T279-L283 PolarHBondContact O-N 2.79Å; I280-L283 PolarHBondContact O-N 3.32Å; L283-F308 HydrophobicContact CD1-CE1 3.83Å; L283-F308 HydrophobicContact CD1-CZ 4.27Å; L283-V315 HydrophobicContact CD1-CG1 4.27Å; L283-A318 HydrophobicContact CD1-CB 4.06Å; L283-A318 HydrophobicContact CD2-CB 3.98Å; L283-A318 HydrophobicContact CG-CB 4.39Å
284H89.4Confident88.2Confident25 Ų2553.8 Ų53.812%0.11624%0.238CC..Hα-helixtrans-106.37.1-178.6-57.1-62.2000114.3I280 K282 R286 Y287 L288 F299 L304 F308I280-H284 PolarHBondContact O-CD2 3.28Å; I280-H284 PolarHBondContact O-N 2.86Å; I280-H284 VanDerWaalsContact O-N 3.1Å; K282-H284 VanDerWaalsContact C-N 3.29Å; K282-H284 PolarHBondContact O-N 3.41Å; H284-R286 PolarHBondContact O-N 3.07Å; H284-Y287 WeakPolarHBondContact O-CA 3.26Å; H284-Y287 WeakPolarHBondContact O-CB 3.34Å; H284-Y287 PolarHBondContact O-N 2.68Å; H284-L288 HydrophobicContact CB-CD1 4.04Å; H284-L288 HydrophobicContact CB-CG 4.15Å; H284-L288 WeakPolarHBondContact O-CG 3.2Å; H284-L288 PolarHBondContact O-N 2.95Å; H284-F299 HydrophobicContact CB-CE1 3.84Å; H284-F299 HydrophobicContact CB-CZ 3.98Å; H284-F299 AromaticContact CG-CE1 3.94Å; H284-F299 AromaticContact CG-CZ 3.68Å; H284-F299 AromaticContact ND1-CZ 3.79Å; H284-L304 WeakPolarHBondContact NE2-CD2 3.33Å; H284-F308 PolarHBondContact CE1-O 2.83Å; H284-F308 AromaticContact NE2-CE1 3.71Å; H284-F308 AromaticContact NE2-CZ 3.71Å
285E90.6Very high88.3Confident58 Ų5858 Ų5827%0.27126%0.258SS..Hα-helixtrans-47.6-52.6-176.7176.6171.6-14000112.9L217 L220 L281 Y287 L288 M289L217-E285 WeakPolarHBondContact CD2-OE1 3.29Å; L220-E285 HydrophobicContact CB-CG 4.31Å; L220-E285 HydrophobicContact CD2-CB 4.21Å; L220-E285 HydrophobicContact CD2-CG 4.21Å; L281-E285 WeakPolarHBondContact O-CA 3.21Å; L281-E285 PolarHBondContact O-N 3.39Å; E285-Y287 PolarHBondContact O-N 3.02Å; E285-Y287 VanDerWaalsContact O-N 3.13Å; E285-L288 PolarHBondContact O-N 3.04Å; E285-M289 HydrophobicContact CG-CG 4.39Å; E285-M289 WeakPolarHBondContact O-CB 3.37Å; E285-M289 VanDerWaalsContact O-CG 3.24Å; E285-M289 WeakPolarHBondContact O-CG 3.18Å; E285-M289 PolarHBondContact O-N 3.45Å
286R93.3Very high87.8Confident230 Ų23058.1 Ų58.187%0.86826%0.258SS*.Hα-helixtrans-61.3-21.2179-68.4-176.3175.7-174.4-2114.5H284H284-R286 PolarHBondContact O-N 3.07Å
287Y91.4Very high87.1Confident90 Ų9059.2 Ų59.235%0.35326%0.264SS..Hα-helixtrans-90.6-50.8175.9-169-117.1000110.5H284 E285 M289 K290 L291 F299 R303H284-Y287 WeakPolarHBondContact O-CA 3.26Å; H284-Y287 WeakPolarHBondContact O-CB 3.34Å; H284-Y287 PolarHBondContact O-N 2.68Å; E285-Y287 PolarHBondContact O-N 3.02Å; E285-Y287 VanDerWaalsContact O-N 3.13Å; Y287-M289 VanDerWaalsContact C-N 3.28Å; Y287-M289 PolarHBondContact O-N 2.69Å; Y287-K290 WeakPolarHBondContact O-CB 3.05Å; Y287-K290 PolarHBondContact O-N 3.48Å; Y287-L291 HydrophobicContact CD1-CD1 4.06Å; Y287-L291 HydrophobicContact CE1-CD1 3.92Å; Y287-L291 HydrophobicContact CE1-CD2 4.05Å; Y287-L291 HydrophobicContact CE1-CG 4.46Å; Y287-L291 HydrophobicContact CE2-CD2 4.38Å; Y287-L291 WeakPolarHBondContact O-CG 3.45Å; Y287-F299 HydrophobicContact CD1-CD1 4.35Å; Y287-F299 AromaticContact CD1-CD2 3.96Å; Y287-F299 HydrophobicContact CD1-CD2 3.96Å; Y287-F299 HydrophobicContact CD1-CE1 4.21Å; Y287-F299 AromaticContact CD1-CE2 3.82Å; Y287-F299 HydrophobicContact CD1-CE2 3.82Å; Y287-F299 HydrophobicContact CD1-CG 4.23Å; Y287-F299 AromaticContact CD1-CZ 3.95Å; Y287-F299 HydrophobicContact CD1-CZ 3.95Å; Y287-F299 AromaticContact CE1-CD2 3.64Å; Y287-F299 HydrophobicContact CE1-CD2 3.64Å; Y287-F299 AromaticContact CE1-CE2 3.87Å; Y287-F299 HydrophobicContact CE1-CE2 3.87Å; Y287-F299 HydrophobicContact CE1-CG 4.05Å; Y287-F299 HydrophobicContact CE1-CZ 4.44Å; Y287-R303 PolarHBondContact OH-NH1 2.73Å; Y287-R303 PolarHBondContact OH-NH2 2.78Å
288L87.6Confident86.9Confident0 Ų063.6 Ų63.60%028%0.284CS..Hα-helixtrans-53.3-42.8178.2-68.8167000112.1L220 L281 H284 E285 K290 L291 T296 F299 L300L220-L288 HydrophobicContact CD1-CB 3.72Å; L220-L288 HydrophobicContact CD1-CD1 4.27Å; L220-L288 HydrophobicContact CD2-CD1 4.3Å; L281-L288 HydrophobicContact CD2-CD1 3.71Å; H284-L288 HydrophobicContact CB-CD1 4.04Å; H284-L288 HydrophobicContact CB-CG 4.15Å; H284-L288 WeakPolarHBondContact O-CG 3.2Å; H284-L288 PolarHBondContact O-N 2.95Å; E285-L288 PolarHBondContact O-N 3.04Å; L288-K290 PolarHBondContact O-N 3.06Å; L288-L291 HydrophobicContact CD2-CD1 4.44Å; L288-L291 PolarHBondContact O-N 2.69Å; L288-T296 HydrophobicContact CD2-CG2 4.01Å; L288-F299 HydrophobicContact CD2-CD1 3.74Å; L288-F299 HydrophobicContact CD2-CE1 3.98Å; L288-F299 HydrophobicContact CG-CE1 4.4Å; L288-L300 HydrophobicContact CD2-CD2 4.16Å; L288-L300 HydrophobicContact CD2-CG 4.34Å
289M91.2Very high86.6Confident66 Ų6664.2 Ų64.233%0.32529%0.287SS..THydrogen-bonded Turntrans-58.7-13.3176.9-72.9-63.2-60.100115.1L220 H223 E285 Y287L220-M289 HydrophobicContact CB-SD 4.25Å; L220-M289 HydrophobicContact CD1-CG 4.18Å; L220-M289 HydrophobicContact CD1-SD 3.97Å; H223-M289 HydrophobicContact CB-CE 3.86Å; H223-M289 HydrophobicContact CB-SD 3.52Å; H223-M289 VanDerWaalsContact CB-SD 3.52Å; H223-M289 PolarHBondContact CE1-O 3.27Å; H223-M289 PolarHBondContact NE2-O 3.02Å; E285-M289 HydrophobicContact CG-CG 4.39Å; E285-M289 WeakPolarHBondContact O-CB 3.37Å; E285-M289 VanDerWaalsContact O-CG 3.24Å; E285-M289 WeakPolarHBondContact O-CG 3.18Å; E285-M289 PolarHBondContact O-N 3.45Å; Y287-M289 VanDerWaalsContact C-N 3.28Å; Y287-M289 PolarHBondContact O-N 2.69Å
290K92.3Very high85.9Confident170 Ų17064.6 Ų64.674%0.73929%0.289SS*.THydrogen-bonded Turntrans-99.4-9.1177.5-59.2-171.7176.9-166.50113.7Y287 L288Y287-K290 WeakPolarHBondContact O-CB 3.05Å; Y287-K290 PolarHBondContact O-N 3.48Å; L288-K290 PolarHBondContact O-N 3.06Å
291L88Confident85.2Confident9 Ų968.5 Ų68.55%0.04731%0.307CS..  trans-92.9151.9-169.7-56.1-173.2000112H223 R227 Y287 L288 Q295 T296 F299H223-L291 PolarHBondContact NE2-O 3.44Å; R227-L291 WeakPolarHBondContact CD-O 3.29Å; Y287-L291 HydrophobicContact CD1-CD1 4.06Å; Y287-L291 HydrophobicContact CE1-CD1 3.92Å; Y287-L291 HydrophobicContact CE1-CD2 4.05Å; Y287-L291 HydrophobicContact CE1-CG 4.46Å; Y287-L291 HydrophobicContact CE2-CD2 4.38Å; Y287-L291 WeakPolarHBondContact O-CG 3.45Å; L288-L291 HydrophobicContact CD2-CD1 4.44Å; L288-L291 PolarHBondContact O-N 2.69Å; L291-Q295 HydrophobicContact CB-CB 3.92Å; L291-Q295 HydrophobicContact CD1-CB 4.41Å; L291-Q295 HydrophobicContact CD2-CB 4.13Å; L291-Q295 HydrophobicContact CG-CB 4.35Å; L291-T296 VanDerWaalsContact CB-OG1 3.28Å; L291-T296 WeakPolarHBondContact CB-OG1 3.46Å; L291-F299 HydrophobicContact CD1-CB 3.95Å; L291-F299 HydrophobicContact CD1-CD1 4.39Å; L291-F299 HydrophobicContact CD1-CG 4.26Å
292N85Confident84.5Confident62 Ų6269.5 Ų69.533%0.33231%0.313SS..  trans-81.8-177.2163.377.51.7000111E294 Q295 T296N292-E294 PolarHBondContact OD1-N 3.02Å; N292-E294 VanDerWaalsContact OD1-N 3.16Å; N292-Q295 VanDerWaalsContact OD1-CB 3.26Å; N292-Q295 WeakPolarHBondContact OD1-CB 3.5Å; N292-Q295 WeakPolarHBondContact OD1-CG 3.07Å; N292-Q295 PolarHBondContact OD1-N 2.94Å; N292-T296 VanDerWaalsContact O-CB 3.28Å; N292-T296 WeakPolarHBondContact O-CB 3.25Å; N292-T296 PolarHBondContact O-N 3.39Å; N292-T296 PolarHBondContact O-OG1 3.24Å
293F75.6Confident84Confident100 Ų10069 Ų6944%0.43931%0.308SS..Hα-helixtrans-53.3-54.7176.9173.9-102.1000112.6R227 I228 T296 M297R227-F293 WeakPolarHBondContact O-CB 3.38Å; R227-F293 WeakPolarHBondContact O-CD2 3.44Å; I228-F293 HydrophobicContact CB-CD2 4.33Å; I228-F293 HydrophobicContact CG1-CD2 4.11Å; I228-F293 HydrophobicContact CG2-CD2 4.14Å; I228-F293 HydrophobicContact CG2-CE2 4.03Å; F293-T296 WeakPolarHBondContact O-CB 3.47Å; F293-T296 PolarHBondContact O-N 3.45Å; F293-M297 HydrophobicContact CE1-CG 4.36Å; F293-M297 HydrophobicContact CE2-CG 4.29Å; F293-M297 HydrophobicContact CZ-CG 4.12Å; F293-M297 PolarHBondContact O-N 3.39Å
294E80.4Confident83.3Confident139 Ų13965.6 Ų65.665%0.6529%0.291SS*.Hα-helixtrans-65.4-48.2-172.8-57.3177.1142.200111.7N292 T296 M297 E298N292-E294 PolarHBondContact OD1-N 3.02Å; N292-E294 VanDerWaalsContact OD1-N 3.16Å; E294-T296 VanDerWaalsContact C-N 3.27Å; E294-T296 PolarHBondContact O-N 3.14Å; E294-M297 PolarHBondContact O-N 3.06Å; E294-M297 VanDerWaalsContact O-N 3.12Å; E294-E298 WeakPolarHBondContact O-CB 3.45Å; E294-E298 PolarHBondContact O-N 3.48Å
295Q86.4Confident82.4Confident89 Ų8966.4 Ų66.442%0.41630%0.295SS..Hα-helixtrans-60.6-36.8175.3-68.5167-11.600111.4L291 N292 F299L291-Q295 HydrophobicContact CB-CB 3.92Å; L291-Q295 HydrophobicContact CD1-CB 4.41Å; L291-Q295 HydrophobicContact CD2-CB 4.13Å; L291-Q295 HydrophobicContact CG-CB 4.35Å; N292-Q295 VanDerWaalsContact OD1-CB 3.26Å; N292-Q295 WeakPolarHBondContact OD1-CB 3.5Å; N292-Q295 WeakPolarHBondContact OD1-CG 3.07Å; N292-Q295 PolarHBondContact OD1-N 2.94Å; Q295-F299 WeakPolarHBondContact O-CB 3.27Å; Q295-F299 PolarHBondContact O-N 3.22Å
296T80.3Confident81.5Confident1 Ų171.7 Ų71.71%0.00632%0.317CS..Hα-helixtrans-66.4-42.2174.9-58.20000110.9L224 I228 L288 L291 N292 F293 E294 L300L224-T296 HydrophobicContact CD2-CG2 4.18Å; I228-T296 HydrophobicContact CD1-CG2 3.77Å; L288-T296 HydrophobicContact CD2-CG2 4.01Å; L291-T296 VanDerWaalsContact CB-OG1 3.28Å; L291-T296 WeakPolarHBondContact CB-OG1 3.46Å; N292-T296 VanDerWaalsContact O-CB 3.28Å; N292-T296 WeakPolarHBondContact O-CB 3.25Å; N292-T296 PolarHBondContact O-N 3.39Å; N292-T296 PolarHBondContact O-OG1 3.24Å; F293-T296 WeakPolarHBondContact O-CB 3.47Å; F293-T296 PolarHBondContact O-N 3.45Å; E294-T296 VanDerWaalsContact C-N 3.27Å; E294-T296 PolarHBondContact O-N 3.14Å; T296-L300 HydrophobicContact CG2-CD1 3.63Å; T296-L300 HydrophobicContact CG2-CG 4.3Å; T296-L300 VanDerWaalsContact O-CB 3.29Å; T296-L300 WeakPolarHBondContact O-CB 3.5Å; T296-L300 WeakPolarHBondContact O-CD1 3.16Å; T296-L300 WeakPolarHBondContact O-CG 3.31Å; T296-L300 PolarHBondContact O-N 3.04Å
297M75.8Confident80.8Confident24 Ų2464.3 Ų64.312%0.11830%0.3CS..Hα-helixtrans-65.6-47175.1-68.7-54.3100.400112I228 P233 F293 E294 F299 L300 Q301I228-M297 HydrophobicContact CD1-CE 4.01Å; P233-M297 HydrophobicContact CB-CE 3.69Å; P233-M297 HydrophobicContact CB-SD 3.8Å; P233-M297 HydrophobicContact CG-CE 3.61Å; P233-M297 HydrophobicContact CG-SD 3.58Å; P233-M297 VanDerWaalsContact CG-SD 3.58Å; F293-M297 HydrophobicContact CE1-CG 4.36Å; F293-M297 HydrophobicContact CE2-CG 4.29Å; F293-M297 HydrophobicContact CZ-CG 4.12Å; F293-M297 PolarHBondContact O-N 3.39Å; E294-M297 PolarHBondContact O-N 3.06Å; E294-M297 VanDerWaalsContact O-N 3.12Å; M297-F299 PolarHBondContact O-N 3.34Å; M297-L300 HydrophobicContact CE-CD1 4.2Å; M297-L300 PolarHBondContact O-N 3.35Å; M297-Q301 WeakPolarHBondContact O-CB 3.24Å; M297-Q301 WeakPolarHBondContact O-CG 3.34Å; M297-Q301 PolarHBondContact O-N 3.34Å; M297-Q301 PolarHBondContact SD-NE2 2.83Å
298E80.7Confident80.4Confident92 Ų9260.2 Ų60.243%0.4328%0.284SS..Hα-helixtrans-60.3-43.9178.5-166.5-101.8153.100111.6E294 V302 R303E294-E298 WeakPolarHBondContact O-CB 3.45Å; E294-E298 PolarHBondContact O-N 3.48Å; E298-V302 WeakPolarHBondContact O-CA 3.35Å; E298-V302 WeakPolarHBondContact O-CB 3.28Å; E298-V302 PolarHBondContact O-N 2.9Å; E298-R303 VanDerWaalsContact CD-CD 3.44Å; E298-R303 PolarHBondContact O-N 3.49Å; E298-R303 WeakPolarHBondContact OE1-CD 3.3Å; E298-R303 WeakPolarHBondContact OE1-CG 3.46Å; E298-R303 WeakPolarHBondContact OE2-CD 3.48Å; E298-R303 IonicContact OE2-NH1 3.36Å
299F82.5Confident80.1Confident14 Ų1463.2 Ų63.26%0.06132%0.315CS..Iπ-helixtrans-60.6-52.3175.1176.7-110.5000112.5H284 Y287 L288 L291 Q295 M297 R303 L304H284-F299 HydrophobicContact CB-CE1 3.84Å; H284-F299 HydrophobicContact CB-CZ 3.98Å; H284-F299 AromaticContact CG-CE1 3.94Å; H284-F299 AromaticContact CG-CZ 3.68Å; H284-F299 AromaticContact ND1-CZ 3.79Å; Y287-F299 HydrophobicContact CD1-CD1 4.35Å; Y287-F299 AromaticContact CD1-CD2 3.96Å; Y287-F299 HydrophobicContact CD1-CD2 3.96Å; Y287-F299 HydrophobicContact CD1-CE1 4.21Å; Y287-F299 AromaticContact CD1-CE2 3.82Å; Y287-F299 HydrophobicContact CD1-CE2 3.82Å; Y287-F299 HydrophobicContact CD1-CG 4.23Å; Y287-F299 AromaticContact CD1-CZ 3.95Å; Y287-F299 HydrophobicContact CD1-CZ 3.95Å; Y287-F299 AromaticContact CE1-CD2 3.64Å; Y287-F299 HydrophobicContact CE1-CD2 3.64Å; Y287-F299 AromaticContact CE1-CE2 3.87Å; Y287-F299 HydrophobicContact CE1-CE2 3.87Å; Y287-F299 HydrophobicContact CE1-CG 4.05Å; Y287-F299 HydrophobicContact CE1-CZ 4.44Å; L288-F299 HydrophobicContact CD2-CD1 3.74Å; L288-F299 HydrophobicContact CD2-CE1 3.98Å; L288-F299 HydrophobicContact CG-CE1 4.4Å; L291-F299 HydrophobicContact CD1-CB 3.95Å; L291-F299 HydrophobicContact CD1-CD1 4.39Å; L291-F299 HydrophobicContact CD1-CG 4.26Å; Q295-F299 WeakPolarHBondContact O-CB 3.27Å; Q295-F299 PolarHBondContact O-N 3.22Å; M297-F299 PolarHBondContact O-N 3.34Å; F299-R303 HydrophobicContact CD2-CB 4.1Å; F299-R303 PolarHBondContact O-N 2.98Å; F299-L304 HydrophobicContact CE1-CD1 4.2Å; F299-L304 HydrophobicContact CE1-CD2 4.09Å; F299-L304 HydrophobicContact CE1-CG 4.11Å; F299-L304 HydrophobicContact CE2-CD2 3.95Å; F299-L304 HydrophobicContact CE2-CG 4.24Å; F299-L304 HydrophobicContact CZ-CD1 4.45Å; F299-L304 HydrophobicContact CZ-CD2 3.52Å; F299-L304 HydrophobicContact CZ-CG 3.94Å; F299-L304 PolarHBondContact O-N 3.26Å; F299-L304 VanDerWaalsContact O-N 3.09Å
300L76.1Confident79.6Confident9 Ų963.2 Ų63.25%0.04732%0.319CS..Iπ-helixtrans-73.1-27.8-174.5-68.7173.3000114.2W237 L288 T296 M297 L304W237-L300 HydrophobicContact CH2-CD1 4.34Å; W237-L300 HydrophobicContact CH2-CD2 3.51Å; W237-L300 HydrophobicContact CZ2-CD1 3.63Å; W237-L300 HydrophobicContact CZ2-CD2 3.69Å; W237-L300 HydrophobicContact CZ2-CG 4.24Å; L288-L300 HydrophobicContact CD2-CD2 4.16Å; L288-L300 HydrophobicContact CD2-CG 4.34Å; T296-L300 HydrophobicContact CG2-CD1 3.63Å; T296-L300 HydrophobicContact CG2-CG 4.3Å; T296-L300 VanDerWaalsContact O-CB 3.29Å; T296-L300 WeakPolarHBondContact O-CB 3.5Å; T296-L300 WeakPolarHBondContact O-CD1 3.16Å; T296-L300 WeakPolarHBondContact O-CG 3.31Å; T296-L300 PolarHBondContact O-N 3.04Å; M297-L300 HydrophobicContact CE-CD1 4.2Å; M297-L300 PolarHBondContact O-N 3.35Å; L300-L304 HydrophobicContact CD2-CD1 3.95Å
301Q71.5Confident79.4Confident88 Ų8859.9 Ų59.941%0.41131%0.312SS..Iπ-helixtrans-98.5-33.1-176.1-61.2179.126.300113.2M297M297-Q301 WeakPolarHBondContact O-CB 3.24Å; M297-Q301 WeakPolarHBondContact O-CG 3.34Å; M297-Q301 PolarHBondContact O-N 3.34Å; M297-Q301 PolarHBondContact SD-NE2 2.83Å
302V72.9Confident79.4Confident22 Ų2261.1 Ų61.113%0.13332%0.319CS..Iπ-helixtrans-121-34.8-168.5-170.90000113.4R249 E298R249-V302 HydrophobicContact CB-CG2 4.47Å; E298-V302 WeakPolarHBondContact O-CA 3.35Å; E298-V302 WeakPolarHBondContact O-CB 3.28Å; E298-V302 PolarHBondContact O-N 2.9Å
303R80.9Confident79.8Confident88 Ų8861.5 Ų61.533%0.33232%0.321SS..Iπ-helixtrans-87.6-42.9-173.3-65.4172.951.4-158.8-3.5113Y287 E298 F299 E305 K306 S307Y287-R303 PolarHBondContact OH-NH1 2.73Å; Y287-R303 PolarHBondContact OH-NH2 2.78Å; E298-R303 VanDerWaalsContact CD-CD 3.44Å; E298-R303 PolarHBondContact O-N 3.49Å; E298-R303 WeakPolarHBondContact OE1-CD 3.3Å; E298-R303 WeakPolarHBondContact OE1-CG 3.46Å; E298-R303 WeakPolarHBondContact OE2-CD 3.48Å; E298-R303 IonicContact OE2-NH1 3.36Å; F299-R303 HydrophobicContact CD2-CB 4.1Å; F299-R303 PolarHBondContact O-N 2.98Å; R303-E305 PolarHBondContact O-N 3.42Å; R303-K306 PolarHBondContact O-N 3.49Å; R303-K306 VanDerWaalsContact O-N 3.16Å; R303-S307 PolarHBondContact O-N 2.65Å
304L78.3Confident80.6Confident2 Ų261.8 Ų61.81%0.0133%0.327CS..Hα-helixtrans-58.9-27.9174.8-72-179.7000113.5R252 P254 I280 H284 F299 L300 S307 F308R252-L304 VanDerWaalsContact O-CB 3.25Å; R252-L304 WeakPolarHBondContact O-CB 3.01Å; P254-L304 WeakPolarHBondContact CD-O 3.24Å; I280-L304 HydrophobicContact CG2-CD1 3.8Å; H284-L304 WeakPolarHBondContact NE2-CD2 3.33Å; F299-L304 HydrophobicContact CE1-CD1 4.2Å; F299-L304 HydrophobicContact CE1-CD2 4.09Å; F299-L304 HydrophobicContact CE1-CG 4.11Å; F299-L304 HydrophobicContact CE2-CD2 3.95Å; F299-L304 HydrophobicContact CE2-CG 4.24Å; F299-L304 HydrophobicContact CZ-CD1 4.45Å; F299-L304 HydrophobicContact CZ-CD2 3.52Å; F299-L304 HydrophobicContact CZ-CG 3.94Å; F299-L304 PolarHBondContact O-N 3.26Å; F299-L304 VanDerWaalsContact O-N 3.09Å; L300-L304 HydrophobicContact CD2-CD1 3.95Å; L304-S307 CarbonylContact O-C 3.48Å; L304-F308 HydrophobicContact CD2-CD2 4.26Å
305E69.4Low81.2Confident42 Ų4255.2 Ų55.220%0.19630%0.297CS..Hα-helixtrans-63.2-49.5174175168.3-135.500112.8R249 T250 L251 R303R249-E305 WeakPolarHBondContact CA-OE2 3.45Å; T250-E305 VanDerWaalsContact N-CD 3.32Å; T250-E305 PolarHBondContact N-OE1 3.39Å; T250-E305 PolarHBondContact N-OE2 2.94Å; L251-E305 HydrophobicContact CB-CG 4.09Å; L251-E305 PolarHBondContact N-OE1 2.84Å; L251-E305 WeakPolarHBondContact O-CA 3.45Å; L251-E305 WeakPolarHBondContact O-CB 3.15Å; L251-E305 WeakPolarHBondContact O-CG 3.44Å; R303-E305 PolarHBondContact O-N 3.42Å
306K72Confident81.6Confident169 Ų16951 Ų5174%0.73528%0.277SS*.Hα-helixtrans-72.5-39.6-178.8-62.2177.5-176.7179.30111.5R303R303-K306 PolarHBondContact O-N 3.49Å; R303-K306 VanDerWaalsContact O-N 3.16Å
307S79.5Confident82.4Confident75 Ų7554.2 Ų54.252%0.52429%0.292SS..  trans-155.2124.9174.6-178.60000110.9R303 L304 G309R303-S307 PolarHBondContact O-N 2.65Å; L304-S307 CarbonylContact O-C 3.48Å; S307-G309 PolarHBondContact O-N 3.36Å; S307-G309 PolarHBondContact OG-N 3.21Å; S307-G309 VanDerWaalsContact OG-N 3.13Å
308F81.7Confident83.3Confident4 Ų454 Ų542%0.01829%0.294CS..  trans-72.1-2.5170.8-159.1-92.7000112.6V253 P254 L257 M276 I280 L283 H284 L304 T310 V315V253-F308 HydrophobicContact CB-CD2 4.48Å; V253-F308 HydrophobicContact CG1-CD2 3.95Å; V253-F308 HydrophobicContact CG1-CE2 3.85Å; P254-F308 HydrophobicContact CG-CB 4.21Å; L257-F308 HydrophobicContact CD2-CB 4.4Å; L257-F308 HydrophobicContact CD2-CD1 4.35Å; L257-F308 HydrophobicContact CD2-CD2 3.88Å; L257-F308 HydrophobicContact CD2-CE2 4.25Å; L257-F308 HydrophobicContact CD2-CG 3.94Å; M276-F308 HydrophobicContact CE-CE2 4.19Å; M276-F308 HydrophobicContact CE-CZ 3.92Å; I280-F308 HydrophobicContact CD1-CE2 4.28Å; I280-F308 HydrophobicContact CG1-CE2 3.85Å; I280-F308 HydrophobicContact CG1-CZ 3.86Å; I280-F308 HydrophobicContact CG2-CE2 4.5Å; L283-F308 HydrophobicContact CD1-CE1 3.83Å; L283-F308 HydrophobicContact CD1-CZ 4.27Å; H284-F308 PolarHBondContact CE1-O 2.83Å; H284-F308 AromaticContact NE2-CE1 3.71Å; H284-F308 AromaticContact NE2-CZ 3.71Å; L304-F308 HydrophobicContact CD2-CD2 4.26Å; F308-T310 WeakPolarHBondContact CD1-OG1 3.49Å; F308-T310 PolarHBondContact O-N 2.81Å; F308-V315 HydrophobicContact CD1-CB 4.4Å; F308-V315 HydrophobicContact CD1-CG1 4.1Å; F308-V315 HydrophobicContact CD1-CG2 3.35Å; F308-V315 HydrophobicContact CE1-CB 4.14Å; F308-V315 HydrophobicContact CE1-CG1 3.48Å; F308-V315 VanDerWaalsContact CE1-CG1 3.48Å; F308-V315 HydrophobicContact CE1-CG2 3.48Å; F308-V315 VanDerWaalsContact CE1-CG2 3.48Å; F308-V315 HydrophobicContact CG-CG2 4.32Å; F308-V315 HydrophobicContact CZ-CG1 3.77Å
309G80.9Confident84Confident63 Ų6349.7 Ų49.765%0.64927%0.274SS*.SBendtrans70.2-6.4-179.100000115.5S307S307-G309 PolarHBondContact O-N 3.36Å; S307-G309 PolarHBondContact OG-N 3.21Å; S307-G309 VanDerWaalsContact OG-N 3.13Å
310T81.8Confident84.6Confident65 Ų6554.2 Ų54.240%0.39929%0.291SS..SBendtrans-141.4153.2175540000111.1F308 V315F308-T310 WeakPolarHBondContact CD1-OG1 3.49Å; F308-T310 PolarHBondContact O-N 2.81Å; T310-V315 WeakPolarHBondContact OG1-CG2 3.47Å
311V87.9Confident85.6Confident100 Ų10059.3 Ų59.361%0.60631%0.314SS*.  trans-67.3136-179.2-179.80000110.8D313 N314 V315V311-D313 VanDerWaalsContact C-N 3.28Å; V311-D313 PolarHBondContact O-N 3.24Å; V311-N314 WeakPolarHBondContact O-CB 3.46Å; V311-N314 PolarHBondContact O-N 2.81Å; V311-V315 PolarHBondContact O-N 3.41Å
312N88.7Confident86.8Confident35 Ų3555.2 Ų55.219%0.18730%0.295CS..Hα-helixtrans-47.5-42.2-173.1-597.4000114.6S256 L257 N314 V315 I316S256-N312 WeakPolarHBondContact CB-ND2 2.98Å; S256-N312 PolarHBondContact O-ND2 3.07Å; S256-N312 VanDerWaalsContact O-ND2 3.11Å; S256-N312 PolarHBondContact OG-ND2 2.84Å; L257-N312 HydrophobicContact CD1-CB 4.22Å; L257-N312 PolarHBondContact N-ND2 3.43Å; N312-N314 VanDerWaalsContact C-N 3.29Å; N312-N314 PolarHBondContact O-N 3.24Å; N312-V315 WeakPolarHBondContact O-CB 3.34Å; N312-V315 PolarHBondContact O-N 2.96Å; N312-V315 VanDerWaalsContact O-N 3.11Å; N312-I316 WeakPolarHBondContact O-CG1 3.45Å; N312-I316 PolarHBondContact O-N 2.89Å
313D91.5Very high87.8Confident70 Ų7054.3 Ų54.337%0.37429%0.29SS..Hα-helixtrans-64.6-31-179.6-79.1-25.6000112.6R260 V311 E317R260-D313 IonicContact CZ-OD1 3.64Å; R260-D313 IonicContact NH1-OD1 2.76Å; R260-D313 PolarHBondContact NH1-OD1 3.35Å; R260-D313 IonicContact NH2-OD1 3.27Å; R260-D313 PolarHBondContact NH2-OD1 2.97Å; V311-D313 VanDerWaalsContact C-N 3.28Å; V311-D313 PolarHBondContact O-N 3.24Å; D313-E317 PolarHBondContact O-N 2.96Å
314N94Very high88.6Confident107 Ų10752.3 Ų52.357%0.57229%0.292SS*.Hα-helixtrans-70.2-38.2172.2-63.90.2000111.2V311 N312 E317 A318V311-N314 WeakPolarHBondContact O-CB 3.46Å; V311-N314 PolarHBondContact O-N 2.81Å; N312-N314 VanDerWaalsContact C-N 3.29Å; N312-N314 PolarHBondContact O-N 3.24Å; N314-E317 PolarHBondContact O-N 2.92Å; N314-A318 WeakPolarHBondContact O-CB 3.4Å; N314-A318 PolarHBondContact O-N 3.05Å
315V92.7Very high89.5Confident0 Ų053.3 Ų53.30%030%0.299CS..Hα-helixtrans-64.1-42.6176.3-171.20000110.9L257 M276 L283 F308 T310 V311 N312 A318 L319L257-V315 HydrophobicContact CD1-CB 4.21Å; L257-V315 HydrophobicContact CD1-CG1 4.21Å; L257-V315 HydrophobicContact CD2-CB 4.27Å; L257-V315 HydrophobicContact CD2-CG1 3.92Å; L257-V315 HydrophobicContact CD2-CG2 4.25Å; M276-V315 HydrophobicContact CE-CG1 3.41Å; M276-V315 VanDerWaalsContact CE-CG1 3.41Å; M276-V315 HydrophobicContact SD-CG1 4.38Å; L283-V315 HydrophobicContact CD1-CG1 4.27Å; F308-V315 HydrophobicContact CD1-CB 4.4Å; F308-V315 HydrophobicContact CD1-CG1 4.1Å; F308-V315 HydrophobicContact CD1-CG2 3.35Å; F308-V315 HydrophobicContact CE1-CB 4.14Å; F308-V315 HydrophobicContact CE1-CG1 3.48Å; F308-V315 VanDerWaalsContact CE1-CG1 3.48Å; F308-V315 HydrophobicContact CE1-CG2 3.48Å; F308-V315 VanDerWaalsContact CE1-CG2 3.48Å; F308-V315 HydrophobicContact CG-CG2 4.32Å; F308-V315 HydrophobicContact CZ-CG1 3.77Å; T310-V315 WeakPolarHBondContact OG1-CG2 3.47Å; V311-V315 PolarHBondContact O-N 3.41Å; N312-V315 WeakPolarHBondContact O-CB 3.34Å; N312-V315 PolarHBondContact O-N 2.96Å; N312-V315 VanDerWaalsContact O-N 3.11Å; V315-A318 PolarHBondContact O-N 3.43Å; V315-L319 WeakPolarHBondContact O-CB 3.25Å; V315-L319 PolarHBondContact O-N 3.01Å
316I94.6Very high90.7Very high2 Ų251.3 Ų51.31%0.0129%0.29CS..Hα-helixtrans-70-35.9179.1-63.6-54.7000112.1Y70 L257 R260 L261 I264 N312 L319 R320Y70-I316 HydrophobicContact CD1-CG2 3.99Å; Y70-I316 WeakPolarHBondContact O-CG2 3.37Å; L257-I316 HydrophobicContact CD1-CD1 3.77Å; L257-I316 HydrophobicContact CD1-CG1 4.15Å; R260-I316 HydrophobicContact CB-CD1 4.24Å; R260-I316 HydrophobicContact CB-CG1 4.29Å; L261-I316 HydrophobicContact CD2-CD1 3.95Å; L261-I316 HydrophobicContact CG-CD1 4.26Å; I264-I316 HydrophobicContact CD1-CD1 3.9Å; I264-I316 HydrophobicContact CD1-CG2 3.59Å; N312-I316 WeakPolarHBondContact O-CG1 3.45Å; N312-I316 PolarHBondContact O-N 2.89Å; I316-L319 HydrophobicContact CD1-CD2 4.31Å; I316-L319 PolarHBondContact O-N 2.92Å; I316-R320 WeakPolarHBondContact O-CB 3.24Å; I316-R320 PolarHBondContact O-N 3.27Å
317E96.1Very high91.9Very high67 Ų6749 Ų4931%0.31328%0.276SS..Hα-helixtrans-71.1-37172.9-167.164.8-171.300111.6D313 N314 L319 R320 H321D313-E317 PolarHBondContact O-N 2.96Å; N314-E317 PolarHBondContact O-N 2.92Å; E317-L319 PolarHBondContact O-N 3.5Å; E317-R320 WeakPolarHBondContact O-CB 3.14Å; E317-R320 PolarHBondContact O-N 3.01Å; E317-R320 IonicContact OE1-CZ 2.87Å; E317-R320 VanDerWaalsContact OE1-CZ 3.27Å; E317-R320 IonicContact OE1-NE 3.59Å; E317-R320 IonicContact OE1-NH1 2.66Å; E317-R320 PolarHBondContact OE1-NH1 3.06Å; E317-R320 IonicContact OE1-NH2 3.78Å; E317-R320 WeakPolarHBondContact OE2-CD 3.48Å; E317-R320 IonicContact OE2-CZ 3.15Å; E317-R320 IonicContact OE2-NE 2.98Å; E317-R320 IonicContact OE2-NH1 2.82Å; E317-R320 PolarHBondContact OE2-NH1 3.3Å; E317-H321 PolarHBondContact O-CD2 3.17Å; E317-H321 PolarHBondContact O-N 2.97Å; E317-H321 IonicContact OE1-NE2 3.11Å
318A96Very high92.7Very high21 Ų2155.2 Ų55.217%0.17429%0.288CS..Hα-helixtrans-60.9-42.6171.100000112.1T279 L283 N314 V315 H321 S322T279-A318 HydrophobicContact CG2-CB 4.09Å; L283-A318 HydrophobicContact CD1-CB 4.06Å; L283-A318 HydrophobicContact CD2-CB 3.98Å; L283-A318 HydrophobicContact CG-CB 4.39Å; N314-A318 WeakPolarHBondContact O-CB 3.4Å; N314-A318 PolarHBondContact O-N 3.05Å; V315-A318 PolarHBondContact O-N 3.43Å; A318-H321 PolarHBondContact O-N 3.32Å; A318-S322 PolarHBondContact O-N 2.98Å; A318-S322 PolarHBondContact O-OG 3.25Å
319L94.5Very high93.3Very high0 Ų061.2 Ų61.20%031%0.314CS..Hα-helixtrans-59.9-45.6172172.259.2000111.3L261 I264 V272 A275 M276 T279 V315 I316 E317 H321 S322 I323L261-L319 HydrophobicContact CD2-CD2 3.59Å; I264-L319 HydrophobicContact CD1-CD2 4.43Å; V272-L319 HydrophobicContact CG1-CD2 4.44Å; A275-L319 HydrophobicContact CB-CD1 3.77Å; M276-L319 HydrophobicContact CB-CD1 3.76Å; M276-L319 HydrophobicContact CB-CD2 4.34Å; M276-L319 HydrophobicContact CG-CD1 4.4Å; M276-L319 HydrophobicContact CG-CD2 4.43Å; M276-L319 HydrophobicContact SD-CB 4.15Å; M276-L319 HydrophobicContact SD-CD1 4.08Å; M276-L319 HydrophobicContact SD-CD2 4.13Å; M276-L319 HydrophobicContact SD-CG 4.35Å; T279-L319 HydrophobicContact CG2-CB 4.38Å; V315-L319 WeakPolarHBondContact O-CB 3.25Å; V315-L319 PolarHBondContact O-N 3.01Å; I316-L319 HydrophobicContact CD1-CD2 4.31Å; I316-L319 PolarHBondContact O-N 2.92Å; E317-L319 PolarHBondContact O-N 3.5Å; L319-H321 VanDerWaalsContact C-N 3.34Å; L319-H321 PolarHBondContact O-N 3.41Å; L319-S322 WeakPolarHBondContact O-CB 3.45Å; L319-S322 PolarHBondContact O-N 3.46Å; L319-S322 VanDerWaalsContact O-N 3.12Å; L319-I323 HydrophobicContact CD1-CD1 3.92Å; L319-I323 HydrophobicContact CD1-CG1 4.07Å; L319-I323 HydrophobicContact CG-CD1 3.95Å; L319-I323 HydrophobicContact CG-CG1 4.49Å; L319-I323 WeakPolarHBondContact O-CG1 3.22Å; L319-I323 PolarHBondContact O-N 3.37Å
320R96.3Very high94Very high109 Ų10969.5 Ų69.541%0.41133%0.326SS..Hα-helixtrans-60.2-41.3176.4-175.9173.4151.3-128.3-17.1112.2Y70 I316 E317 A324Y70-R320 HydrophobicContact CD1-CB 3.81Å; Y70-R320 HydrophobicContact CD1-CG 4.02Å; Y70-R320 HydrophobicContact CE1-CB 3.7Å; Y70-R320 HydrophobicContact CE1-CG 3.92Å; I316-R320 WeakPolarHBondContact O-CB 3.24Å; I316-R320 PolarHBondContact O-N 3.27Å; E317-R320 WeakPolarHBondContact O-CB 3.14Å; E317-R320 PolarHBondContact O-N 3.01Å; E317-R320 IonicContact OE1-CZ 2.87Å; E317-R320 VanDerWaalsContact OE1-CZ 3.27Å; E317-R320 IonicContact OE1-NE 3.59Å; E317-R320 IonicContact OE1-NH1 2.66Å; E317-R320 PolarHBondContact OE1-NH1 3.06Å; E317-R320 IonicContact OE1-NH2 3.78Å; E317-R320 WeakPolarHBondContact OE2-CD 3.48Å; E317-R320 IonicContact OE2-CZ 3.15Å; E317-R320 IonicContact OE2-NE 2.98Å; E317-R320 IonicContact OE2-NH1 2.82Å; E317-R320 PolarHBondContact OE2-NH1 3.3Å; R320-A324 WeakPolarHBondContact O-CB 3.16Å; R320-A324 PolarHBondContact O-N 3.46Å
321H96.7Very high94.5Very high117 Ų11767.3 Ų67.354%0.54231%0.312SS..Hα-helixtrans-65.1-39.5172.3-76.5-67.3000112.5E317 A318 L319 A324 S325E317-H321 PolarHBondContact O-CD2 3.17Å; E317-H321 PolarHBondContact O-N 2.97Å; E317-H321 IonicContact OE1-NE2 3.11Å; A318-H321 PolarHBondContact O-N 3.32Å; L319-H321 VanDerWaalsContact C-N 3.34Å; L319-H321 PolarHBondContact O-N 3.41Å; H321-A324 PolarHBondContact O-N 3.31Å; H321-S325 VanDerWaalsContact O-CB 3.25Å; H321-S325 WeakPolarHBondContact O-CB 3.37Å; H321-S325 PolarHBondContact O-N 3.43Å
322S95.3Very high94.8Very high2 Ų262.9 Ų62.91%0.01429%0.285CS..Hα-helixtrans-63.3-48.4174.3-70.60000112T279 A318 L319 A324 S325 L326T279-S322 WeakPolarHBondContact OG1-CB 3.37Å; T279-S322 PolarHBondContact OG1-OG 3.39Å; A318-S322 PolarHBondContact O-N 2.98Å; A318-S322 PolarHBondContact O-OG 3.25Å; L319-S322 WeakPolarHBondContact O-CB 3.45Å; L319-S322 PolarHBondContact O-N 3.46Å; L319-S322 VanDerWaalsContact O-N 3.12Å; S322-A324 VanDerWaalsContact C-N 3.34Å; S322-A324 PolarHBondContact O-N 3.33Å; S322-S325 CarbonylContact O-C 3.44Å; S322-S325 WeakPolarHBondContact O-CB 3.25Å; S322-S325 PolarHBondContact O-N 3.1Å; S322-L326 WeakPolarHBondContact O-CB 3.41Å; S322-L326 WeakPolarHBondContact O-CG 3.25Å; S322-L326 PolarHBondContact O-N 2.97Å
323I95.7Very high95Very high3 Ų367.3 Ų67.32%0.01530%0.304CS..Hα-helixtrans-54.3-49.7174.4-70.8171.8000110.2Y70 A275 L319 S325 L326 R327 L332Y70-I323 HydrophobicContact CE1-CD1 4.37Å; Y70-I323 VanDerWaalsContact OH-CD1 3.23Å; Y70-I323 WeakPolarHBondContact OH-CD1 3.28Å; A275-I323 HydrophobicContact CB-CD1 4.18Å; A275-I323 HydrophobicContact CB-CG1 3.34Å; L319-I323 HydrophobicContact CD1-CD1 3.92Å; L319-I323 HydrophobicContact CD1-CG1 4.07Å; L319-I323 HydrophobicContact CG-CD1 3.95Å; L319-I323 HydrophobicContact CG-CG1 4.49Å; L319-I323 WeakPolarHBondContact O-CG1 3.22Å; L319-I323 PolarHBondContact O-N 3.37Å; I323-S325 VanDerWaalsContact C-N 3.29Å; I323-S325 PolarHBondContact O-N 3.07Å; I323-L326 PolarHBondContact O-N 2.85Å; I323-R327 WeakPolarHBondContact O-CB 3.45Å; I323-R327 PolarHBondContact O-N 3.49Å; I323-L332 HydrophobicContact CG2-CD2 3.93Å
324A96.3Very high94.8Very high45 Ų4564.5 Ų64.537%0.37229%0.291SS..Hα-helixtrans-67.1-25.2177.700000114R320 H321 S322 R328R320-A324 WeakPolarHBondContact O-CB 3.16Å; R320-A324 PolarHBondContact O-N 3.46Å; H321-A324 PolarHBondContact O-N 3.31Å; S322-A324 VanDerWaalsContact C-N 3.34Å; S322-A324 PolarHBondContact O-N 3.33Å; A324-R328 WeakPolarHBondContact O-CB 3.41Å; A324-R328 WeakPolarHBondContact O-CG 3.05Å; A324-R328 PolarHBondContact O-N 3.14Å; A324-R328 PolarHBondContact O-NE 2.89Å
325S96.8Very high94.5Very high24 Ų2462.6 Ų62.617%0.16828%0.284CS..Hα-helixtrans-80.9-41.1176.3-173.50000112.3R216 H321 S322 I323 K329R216-S325 PolarHBondContact NH1-OG 2.87Å; R216-S325 PolarHBondContact NH2-OG 3.1Å; H321-S325 VanDerWaalsContact O-CB 3.25Å; H321-S325 WeakPolarHBondContact O-CB 3.37Å; H321-S325 PolarHBondContact O-N 3.43Å; S322-S325 CarbonylContact O-C 3.44Å; S322-S325 WeakPolarHBondContact O-CB 3.25Å; S322-S325 PolarHBondContact O-N 3.1Å; I323-S325 VanDerWaalsContact C-N 3.29Å; I323-S325 PolarHBondContact O-N 3.07Å; S325-K329 PolarHBondContact O-N 2.94Å
326L96.1Very high94.3Very high0 Ų067.9 Ų67.90%032%0.318CS..Hα-helixtrans-71.5-43.6177.5-67.4172.6000110.8I212 A275 F278 S322 I323 R328 K329 R330 L331 L332I212-L326 HydrophobicContact CG2-CD2 3.69Å; A275-L326 HydrophobicContact CB-CD1 4.23Å; F278-L326 HydrophobicContact CB-CD1 4.46Å; F278-L326 HydrophobicContact CD1-CD1 4.01Å; F278-L326 HydrophobicContact CD1-CG 4.46Å; F278-L326 HydrophobicContact CG-CD1 4.32Å; S322-L326 WeakPolarHBondContact O-CB 3.41Å; S322-L326 WeakPolarHBondContact O-CG 3.25Å; S322-L326 PolarHBondContact O-N 2.97Å; I323-L326 PolarHBondContact O-N 2.85Å; L326-R328 PolarHBondContact O-N 3.09Å; L326-K329 CarbonylContact O-C 3.56Å; L326-K329 PolarHBondContact O-N 3.23Å; L326-K329 VanDerWaalsContact O-N 3.13Å; L326-R330 PolarHBondContact O-N 2.81Å; L326-L331 HydrophobicContact CB-CB 4.49Å; L326-L331 HydrophobicContact CD2-CB 3.93Å; L326-L331 PolarHBondContact O-N 3.11Å; L326-L332 HydrophobicContact CB-CB 3.87Å; L326-L332 HydrophobicContact CB-CD1 4.17Å; L326-L332 HydrophobicContact CD1-CD1 4.27Å
327R96.2Very high93.8Very high120 Ų12071.3 Ų71.345%0.45334%0.341SS..Hα-helixtrans-59.2-46.8177.4-165.1173.5-81.1139.9-7.1111.3E268 I323 K329 R330 L332E268-R327 IonicContact OE2-CZ 3.23Å; E268-R327 IonicContact OE2-NH1 3.81Å; E268-R327 IonicContact OE2-NH2 3.94Å; E268-R327 PolarHBondContact OE2-NH2 3.19Å; I323-R327 WeakPolarHBondContact O-CB 3.45Å; I323-R327 PolarHBondContact O-N 3.49Å; R327-K329 VanDerWaalsContact C-N 3.31Å; R327-K329 PolarHBondContact O-N 2.67Å; R327-R330 PolarHBondContact O-N 2.68Å; R327-R330 VanDerWaalsContact O-N 3.14Å; R327-L332 HydrophobicContact CB-CB 4.34Å; R327-L332 HydrophobicContact CB-CD2 3.84Å; R327-L332 HydrophobicContact CG-CD2 4.24Å
328R96Very high93Very high206 Ų20672.1 Ų72.178%0.77735%0.35SS*.Hα-helixtrans-60.9-33175-80.3-170.7-66.4158.8-6.2114.1A324 L326 R330A324-R328 WeakPolarHBondContact O-CB 3.41Å; A324-R328 WeakPolarHBondContact O-CG 3.05Å; A324-R328 PolarHBondContact O-N 3.14Å; A324-R328 PolarHBondContact O-NE 2.89Å; L326-R328 PolarHBondContact O-N 3.09Å; R328-R330 VanDerWaalsContact C-N 3.34Å
329K95.3Very high91.9Very high129 Ų12982 Ų8256%0.56138%0.383SS*.THydrogen-bonded Turntrans-88.15.7177.8-69.5-159.3174-158.60114.1S325 L326 R327 L331S325-K329 PolarHBondContact O-N 2.94Å; L326-K329 CarbonylContact O-C 3.56Å; L326-K329 PolarHBondContact O-N 3.23Å; L326-K329 VanDerWaalsContact O-N 3.13Å; R327-K329 VanDerWaalsContact C-N 3.31Å; R327-K329 PolarHBondContact O-N 2.67Å; K329-L331 HydrophobicContact CB-CB 4.43Å; K329-L331 HydrophobicContact CB-CD1 3.96Å; K329-L331 HydrophobicContact CB-CG 4Å; K329-L331 PolarHBondContact O-N 3.37Å
330R94.6Very high90.9Very high237 Ų23787.4 Ų87.489%0.89441%0.411SS*.THydrogen-bonded Turntrans54.237.4-171.2-54.8-178-177178.30.4112.6L326 R327 R328L326-R330 PolarHBondContact O-N 2.81Å; R327-R330 PolarHBondContact O-N 2.68Å; R327-R330 VanDerWaalsContact O-N 3.14Å; R328-R330 VanDerWaalsContact C-N 3.34Å
331L94Very high89.8Confident20 Ų2082.3 Ų82.311%0.10539%0.392CS..  trans-118.816.6-178.3-66.3-179.8000113.2I212 K215 R216 L326 K329I212-L331 VanDerWaalsContact CD1-O 3.26Å; I212-L331 WeakPolarHBondContact CD1-O 3.42Å; I212-L331 HydrophobicContact CG1-CB 4.37Å; K215-L331 HydrophobicContact CB-CD1 4.29Å; K215-L331 HydrophobicContact CD-CD1 4.3Å; K215-L331 HydrophobicContact CD-CD2 3.86Å; R216-L331 HydrophobicContact CG-CD1 4.18Å; L326-L331 HydrophobicContact CB-CB 4.49Å; L326-L331 HydrophobicContact CD2-CB 3.93Å; L326-L331 PolarHBondContact O-N 3.11Å; K329-L331 HydrophobicContact CB-CB 4.43Å; K329-L331 HydrophobicContact CB-CD1 3.96Å; K329-L331 HydrophobicContact CB-CG 4Å; K329-L331 PolarHBondContact O-N 3.37Å
332L93Very high88.7Confident7 Ų779 Ų794%0.03738%0.38CS..SBendtrans-99.4-33.7-179.8-177.763.1000113.1V271 A275 I323 L326 R327V271-L332 HydrophobicContact CB-CD1 3.97Å; V271-L332 HydrophobicContact CB-CD2 4.33Å; V271-L332 HydrophobicContact CB-CG 3.93Å; V271-L332 HydrophobicContact CG1-CG 4.26Å; V271-L332 HydrophobicContact CG2-CD2 4.49Å; A275-L332 HydrophobicContact CB-CD1 3.9Å; I323-L332 HydrophobicContact CG2-CD2 3.93Å; L326-L332 HydrophobicContact CB-CB 3.87Å; L326-L332 HydrophobicContact CB-CD1 4.17Å; L326-L332 HydrophobicContact CD1-CD1 4.27Å; R327-L332 HydrophobicContact CB-CB 4.34Å; R327-L332 HydrophobicContact CB-CD2 3.84Å; R327-L332 HydrophobicContact CG-CD2 4.24Å
333Q92.4Very high87.5Confident128 Ų12880.6 Ų80.660%0.59839%0.391SS*.SBendtrans-87.3127.5179.7-158.864.231.800109.1H208H208-Q333 PolarHBondContact CE1-O 2.83Å; H208-Q333 PolarHBondContact NE2-O 2.83Å
334A87.6Confident86.1Confident11 Ų1186 Ų869%0.09142%0.423CS..PPolyproline II helixtrans-64.5160.9169.800000111F205 H208F205-A334 HydrophobicContact CD2-CB 4.16Å; F205-A334 HydrophobicContact CE1-CB 4.44Å; F205-A334 HydrophobicContact CE2-CB 3.81Å; F205-A334 HydrophobicContact CZ-CB 3.95Å; H208-A334 HydrophobicContact CB-CB 4.38Å; H208-A334 PolarHBondContact NE2-N 3.11Å
335P88.8Confident84.7Confident66 Ų6686.8 Ų86.843%0.42942%0.419SS..PPolyproline II helixtrans-51.8158.3169.8-24.534.8000111.7R204R204-P335 WeakPolarHBondContact CD-O 3.15Å; R204-P335 HydrophobicContact CG-CB 4.48Å; R204-P335 PolarHBondContact NH1-O 2.88Å
336P88.2Confident83.3Confident111 Ų11190.5 Ų90.572%0.72144%0.443SS*.PPolyproline II helixtrans-56.5150.4178.324.9-34.8000112.2R204R204-P336 VanDerWaalsContact CD-O 3.31Å; R204-P336 WeakPolarHBondContact CD-O 3.48Å
337P84.1Confident82Confident75 Ų7593.1 Ų93.149%0.48746%0.458SS..PPolyproline II helixtrans-65.2147.2177.827.6-34000112.1E341P337-E341 WeakPolarHBondContact CA-OE1 3.43Å; P337-E341 HydrophobicContact CB-CB 3.94Å; P337-E341 HydrophobicContact CB-CG 4.47Å
338V79.8Confident80.4Confident83 Ų8387.8 Ų87.850%0.50344%0.441SS..PPolyproline II helixtrans-71150.6162-173.40000108.5L340 E341V338-L340 PolarHBondContact O-N 2.8Å; V338-E341 HydrophobicContact CB-CG 4.43Å; V338-E341 PolarHBondContact N-OE1 2.96Å; V338-E341 WeakPolarHBondContact O-CB 3.17Å; V338-E341 PolarHBondContact O-N 3.12Å
339R71.9Confident79.2Confident230 Ų23079.6 Ų79.687%0.86841%0.414SS*.G310 helixtrans-51.7-24.9179.8-69.9-170.5179.4-162.81.4114.5E341 T342R339-E341 VanDerWaalsContact C-N 3.27Å; R339-E341 PolarHBondContact O-N 2.64Å; R339-T342 PolarHBondContact O-OG1 3.3Å
340L73.4Confident77.9Confident113 Ų11374.1 Ų74.159%0.59239%0.391SS*.G310 helixtrans-792.9178-66.4166.2000114.6P200 V338P200-L340 HydrophobicContact CG-CB 4.48Å; V338-L340 PolarHBondContact O-N 2.8Å
341E74.4Confident76.7Confident2 Ų265.7 Ų65.71%0.00936%0.363CS..G310 helixtrans-105.4-6.2-177.8-62.6-177-123.400114.5H192 G193 P200 K201 R204 P337 V338 R339H192-E341 PolarHBondContact CD2-O 3.02Å; G193-E341 PolarHBondContact N-O 2.79Å; P200-E341 HydrophobicContact CB-CG 3.79Å; P200-E341 HydrophobicContact CG-CG 3.91Å; K201-E341 WeakPolarHBondContact CA-OE2 3.39Å; K201-E341 HydrophobicContact CB-CG 4.26Å; K201-E341 WeakPolarHBondContact CB-OE2 3.5Å; K201-E341 VanDerWaalsContact CG-OE2 3.24Å; K201-E341 WeakPolarHBondContact CG-OE2 3.37Å; R204-E341 WeakPolarHBondContact CD-OE1 3.45Å; R204-E341 IonicContact CZ-OE1 3.46Å; R204-E341 IonicContact CZ-OE2 3.33Å; R204-E341 VanDerWaalsContact NE-CD 3.28Å; R204-E341 IonicContact NE-OE1 3.4Å; R204-E341 PolarHBondContact NE-OE1 3Å; R204-E341 IonicContact NE-OE2 2.68Å; R204-E341 PolarHBondContact NE-OE2 2.86Å; R204-E341 IonicContact NH2-OE1 3.02Å; R204-E341 IonicContact NH2-OE2 3.17Å; R204-E341 PolarHBondContact NH2-OE2 3.03Å; P337-E341 WeakPolarHBondContact CA-OE1 3.43Å; P337-E341 HydrophobicContact CB-CB 3.94Å; P337-E341 HydrophobicContact CB-CG 4.47Å; V338-E341 HydrophobicContact CB-CG 4.43Å; V338-E341 PolarHBondContact N-OE1 2.96Å; V338-E341 WeakPolarHBondContact O-CB 3.17Å; V338-E341 PolarHBondContact O-N 3.12Å; R339-E341 VanDerWaalsContact C-N 3.27Å; R339-E341 PolarHBondContact O-N 2.64Å
342T72.1Confident75.4Confident48 Ų4870.4 Ų70.429%0.29439%0.393SS..SBendtrans-116.8138178.846.30000109.5R339R339-T342 PolarHBondContact O-OG1 3.3Å
343P71.5Confident74.1Confident35 Ų3574.3 Ų74.323%0.22741%0.411CS..  trans-56.6143.4170.5-19.631000111.1Y155 C185 H192Y155-P343 HydrophobicContact CE2-CB 3.84Å; C185-P343 HydrophobicContact CB-CG 3.85Å; C185-P343 VanDerWaalsContact SG-CG 3.59Å; H192-P343 HydrophobicContact CB-CG 4.18Å
344V66Low72.3Confident115 Ų11579.7 Ų79.770%0.69743%0.426SS*.  trans-99.7-36.4178.8-1740000110.7Y155Y155-V344 PolarHBondContact OH-N 3.02Å
345E67.2Low70.8Confident63 Ų6382.6 Ų82.629%0.29444%0.436SS..SBendtrans-88.1148.5-178.5-69.1-157155.200114E154 Y155 T349E154-E345 HydrophobicContact CG-CG 4.4Å; Y155-E345 PolarHBondContact OH-N 3.1Å; E345-T349 VanDerWaalsContact OE2-CB 3.27Å; E345-T349 WeakPolarHBondContact OE2-CB 3.38Å; E345-T349 PolarHBondContact OE2-OG1 3.27Å
346P66.7Low68.9Low102 Ų10286 Ų8666%0.66245%0.451SS*.PPolyproline II helixtrans-74.4169.1170.533.6-36.2000112.8G348 T349P346-G348 PolarHBondContact O-N 2.96Å; P346-G348 VanDerWaalsContact O-N 3.15Å; P346-T349 PolarHBondContact O-OG1 2.97Å
347V68.5Low67Low54 Ų5485.7 Ų85.733%0.32745%0.449SS..THydrogen-bonded Turntrans-64116.2177.4-1770000111.3T96 W178 H181T96-V347 HydrophobicContact CG2-CG1 4.29Å; W178-V347 HydrophobicContact CH2-CG1 3.96Å; W178-V347 HydrophobicContact CZ3-CG1 4.22Å; H181-V347 WeakPolarHBondContact CE1-CG2 3.5Å; H181-V347 WeakPolarHBondContact NE2-CG2 3.35Å
348G63.5Low65.2Low8 Ų891.1 Ų91.18%0.08247%0.468CS..THydrogen-bonded Turntrans91.624.6166.800000116P346 I350 L351P346-G348 PolarHBondContact O-N 2.96Å; P346-G348 VanDerWaalsContact O-N 3.15Å; G348-I350 PolarHBondContact O-N 3.3Å; G348-L351 WeakPolarHBondContact O-CA 3.43Å; G348-L351 VanDerWaalsContact O-CB 3.25Å; G348-L351 WeakPolarHBondContact O-CB 3.22Å; G348-L351 PolarHBondContact O-N 3.38Å
349T69.7Low63.5Low35 Ų3594.4 Ų94.422%0.21548%0.482CS..G310 helixtrans-47.1-43.3170-36.10000112.3E345 P346 L351 T352 E353E345-T349 VanDerWaalsContact OE2-CB 3.27Å; E345-T349 WeakPolarHBondContact OE2-CB 3.38Å; E345-T349 PolarHBondContact OE2-OG1 3.27Å; P346-T349 PolarHBondContact O-OG1 2.97Å; T349-L351 PolarHBondContact O-N 3.3Å; T349-T352 PolarHBondContact O-N 2.88Å; T349-T352 PolarHBondContact O-OG1 3.07Å; T349-E353 PolarHBondContact O-N 3.49Å
350I68.5Low61.9Low14 Ų1486 Ų867%0.07246%0.458CS..G310 helixtrans-62-13.2175.7-167.5145.2000115.7L100 R103 V150 I153 G348L100-I350 HydrophobicContact CD2-CG2 3.98Å; R103-I350 HydrophobicContact CG-CG1 4.45Å; R103-I350 PolarHBondContact NE-O 3.41Å; V150-I350 HydrophobicContact CG1-CD1 3.88Å; V150-I350 HydrophobicContact CG1-CG1 4.26Å; V150-I350 HydrophobicContact CG1-CG2 4.07Å; V150-I350 VanDerWaalsContact O-CG2 3.3Å; V150-I350 WeakPolarHBondContact O-CG2 3.34Å; I153-I350 HydrophobicContact CD1-CB 3.75Å; I153-I350 HydrophobicContact CD1-CG2 3.93Å; I153-I350 HydrophobicContact CG1-CB 3.84Å; I153-I350 HydrophobicContact CG1-CD1 3.73Å; I153-I350 HydrophobicContact CG1-CG1 4.39Å; I153-I350 HydrophobicContact CG1-CG2 4.29Å; G348-I350 PolarHBondContact O-N 3.3Å
351L68.8Low59.8Low59 Ų5986.1 Ų86.131%0.30947%0.468SS..G310 helixtrans-86.9-10173.2-55.3-177.6000112.2T96 K99 L100 R103 G348 T349T96-L351 HydrophobicContact CG2-CD1 3.98Å; K99-L351 HydrophobicContact CB-CD1 3.99Å; K99-L351 HydrophobicContact CB-CD2 4.04Å; K99-L351 HydrophobicContact CD-CD1 4.3Å; L100-L351 HydrophobicContact CD2-CD1 4.42Å; L100-L351 HydrophobicContact CD2-CD2 3.92Å; L100-L351 HydrophobicContact CD2-CG 4.17Å; L100-L351 HydrophobicContact CG-CD1 4.2Å; L100-L351 HydrophobicContact CG-CD2 4.2Å; L100-L351 HydrophobicContact CG-CG 4.45Å; R103-L351 HydrophobicContact CB-CD2 4.48Å; G348-L351 WeakPolarHBondContact O-CA 3.43Å; G348-L351 VanDerWaalsContact O-CB 3.25Å; G348-L351 WeakPolarHBondContact O-CB 3.22Å; G348-L351 PolarHBondContact O-N 3.38Å; T349-L351 PolarHBondContact O-N 3.3Å
352T67.3Low58.1Low119 Ų11994.2 Ų94.273%0.7351%0.508SS*.THydrogen-bonded Turntrans-99.3-19.9170.867.60000112.8T349T349-T352 PolarHBondContact O-N 2.88Å; T349-T352 PolarHBondContact O-OG1 3.07Å
353E66Low56Low89 Ų8997.6 Ų97.642%0.41653%0.533SS..SBendtrans-59138.4169.2-69.3176.8-172.800111.7R103 T349R103-E353 IonicContact NH2-OE2 3.32Å; R103-E353 PolarHBondContact NH2-OE2 2.94Å; T349-E353 PolarHBondContact O-N 3.49Å
354R54.8Low54.3Low242 Ų242101.3 Ų101.391%0.91356%0.555SS**PPolyproline II helixtrans-67.9144.9169.3-68.1-174.6178-172.3-0.1110.1
355F55.7Low52.5Low71 Ų71103.3 Ų103.331%0.31156%0.562SS.*PPolyproline II helixtrans-99.5116.9177.5-169.6-71.1000109.1R103 L106 P357R103-F355 VanDerWaalsContact NH1-CD2 3.28Å; L106-F355 HydrophobicContact CB-CE2 3.65Å; L106-F355 HydrophobicContact CB-CZ 3.68Å; L106-F355 HydrophobicContact CD1-CE2 3.77Å; L106-F355 HydrophobicContact CD1-CZ 3.98Å; L106-F355 HydrophobicContact CG-CE2 4.37Å; L106-F355 HydrophobicContact CG-CZ 4.41Å; F355-P357 WeakPolarHBondContact O-CD 3.34Å
356D49Very low51.2Low138 Ų138107.3 Ų107.374%0.73858%0.584SS**PPolyproline II helixtrans-70.9118.9171.3-81-44.9000110.4E358D356-E358 VanDerWaalsContact C-N 3.29Å; D356-E358 PolarHBondContact O-N 3.14Å
357P48.8Very low49.5Very low104 Ų104111.8 Ų111.868%0.67560%0.596SS**G310 helixtrans-66.8-22.4-169.4-24.735.6000115.8F355 L359F355-P357 WeakPolarHBondContact O-CD 3.34Å; P357-L359 PolarHBondContact O-N 3.09Å; P357-L359 VanDerWaalsContact O-N 3.07Å
358E45.1Very low48Very low189 Ų189114.7 Ų114.788%0.88361%0.614SS**G310 helixtrans-67.3-14.2-164-58.4-166.5144.300115D356D356-E358 VanDerWaalsContact C-N 3.29Å; D356-E358 PolarHBondContact O-N 3.14Å
359L45.4Very low46.5Very low153 Ų153117.3 Ų117.380%0.80163%0.631SS**G310 helixtrans-91.35.2-173-113.178.8000116P357P357-L359 PolarHBondContact O-N 3.09Å; P357-L359 VanDerWaalsContact O-N 3.07Å
360C38.3Very low44.9Very low54 Ų54124.4 Ų124.437%0.36566%0.659SS.*  trans-137.184.9-171.2-84.10000115.6L106L106-C360 HydrophobicContact CD2-CB 4.23Å; L106-C360 PolarHBondContact O-SG 3.39Å
361S29.6Very low43.1Very low114 Ų114131.2 Ų131.280%0.79769%0.691SS**  trans-90.1167.6150.463.80000110.9
362M37.2Very low41.4Very low173 Ų173131.9 Ų131.985%0.85270%0.7SS**  trans80.691.4-174.1-56.9-177.261.200117.1
363S29.4Very low39.7Very low118 Ų118129.8 Ų129.883%0.82568%0.679SS**  trans-83.9139.7159.750.60000111.4
364V35.3Very low38Very low113 Ų113129.6 Ų129.669%0.68569%0.687SS**  trans-140119.4165.6-176.80000109.5
365N28.7Very low36.8Very low158 Ų158125.9 Ų125.985%0.84568%0.677SS**  trans-75.9138175.8-74.1-39.5000111.3
366L38.4Very low35.7Very low147 Ų147125.2 Ų125.277%0.7767%0.674SS**  trans-157.799.4166.5-111.3160.8000110.2T368L366-T368 PolarHBondContact O-N 2.86Å
367H30.8Very low34.8Very low195 Ų195123.8 Ų123.890%0.90366%0.663SS**PPolyproline II helixtrans-69.4120.1165.3-91.3-104.9000109.3
368T37.9Very low33.9Very low115 Ų115123.4 Ų123.471%0.70666%0.663SS**PPolyproline II helixtrans-103.8117.3165.250.60000108.6L366L366-T368 PolarHBondContact O-N 2.86Å
369S31.2Very low33.1Very low64 Ų64119.8 Ų119.845%0.44865%0.649SS.*PPolyproline II helixtrans-72.3148-176.766.80000112.5E371S369-E371 PolarHBondContact O-N 3.13Å
370K36.1Very low32.3Very low184 Ų184113.5 Ų113.580%0.862%0.62SS**THydrogen-bonded Turntrans-64.2-23.2177.3-72-179175.4177.60112.9S372 Y373K370-S372 VanDerWaalsContact C-N 3.34Å; K370-S372 PolarHBondContact O-N 3.01Å; K370-Y373 WeakPolarHBondContact O-CB 3.4Å; K370-Y373 PolarHBondContact O-N 2.85Å; K370-Y373 VanDerWaalsContact O-N 3.11Å
371E31.8Very low31.7Very low157 Ų157112.9 Ų112.973%0.73462%0.615SS**Hα-helixtrans-68.8-30.5-175.6-59.6-178.1118.100113.3S369 Y373S369-E371 PolarHBondContact O-N 3.13Å; E371-Y373 PolarHBondContact O-N 3.31Å
372S31.7Very low31.7Very low72 Ų72110.1 Ų110.150%0.50359%0.589SS.*Hα-helixtrans-65.8-28.5172.5-56.30000112.3K370 F376K370-S372 VanDerWaalsContact C-N 3.34Å; K370-S372 PolarHBondContact O-N 3.01Å; S372-F376 WeakPolarHBondContact O-CD2 3.35Å; S372-F376 PolarHBondContact O-N 2.98Å
373Y32.1Very low31.2Very low76 Ų76102 Ų10230%0.29855%0.549SS..Hα-helixtrans-71.5-48.4-178.7-98-94.2000112.9T140 Q173 K370 E371 K375 F376 Q377T140-Y373 PolarHBondContact OG1-OH 3.27Å; Q173-Y373 HydrophobicContact CG-CE1 4.12Å; Q173-Y373 VanDerWaalsContact CG-OH 3.29Å; Q173-Y373 WeakPolarHBondContact CG-OH 3.16Å; Q173-Y373 PolarHBondContact NE2-OH 3.34Å; K370-Y373 WeakPolarHBondContact O-CB 3.4Å; K370-Y373 PolarHBondContact O-N 2.85Å; K370-Y373 VanDerWaalsContact O-N 3.11Å; E371-Y373 PolarHBondContact O-N 3.31Å; Y373-K375 VanDerWaalsContact C-N 3.25Å; Y373-K375 PolarHBondContact O-N 3.32Å; Y373-F376 WeakPolarHBondContact O-CA 3.45Å; Y373-F376 WeakPolarHBondContact O-CB 3.26Å; Y373-F376 PolarHBondContact O-N 3.18Å; Y373-Q377 PolarHBondContact O-N 3.13Å
374C30.2Very low31.4Very low84 Ų8497 Ų9757%0.56851%0.512SS*.Hα-helixtrans-63.7-29.6-176.6-58.70000113.1
375K29.9Very low31.3Very low164 Ų16492.4 Ų92.471%0.71348%0.483SS*.Hα-helixtrans-79.7-21.3172-71.8-177.3178.8175.10113.4Y373 S378Y373-K375 VanDerWaalsContact C-N 3.25Å; Y373-K375 PolarHBondContact O-N 3.32Å; K375-S378 PolarHBondContact O-OG 2.8Å
376F32.2Very low31.2Very low57 Ų5785 Ų8525%0.2544%0.444CS..Hα-helixtrans-75.5-46.1172.1-107.1-104000111.6Y133 P136 S372 Y373 S378 L379 A380Y133-F376 HydrophobicContact CD1-CE2 4.28Å; Y133-F376 AromaticContact CD1-CZ 3.94Å; Y133-F376 HydrophobicContact CD1-CZ 3.94Å; P136-F376 HydrophobicContact CB-CE2 4.46Å; P136-F376 HydrophobicContact CB-CZ 4.06Å; P136-F376 HydrophobicContact CG-CZ 4.39Å; S372-F376 WeakPolarHBondContact O-CD2 3.35Å; S372-F376 PolarHBondContact O-N 2.98Å; Y373-F376 WeakPolarHBondContact O-CA 3.45Å; Y373-F376 WeakPolarHBondContact O-CB 3.26Å; Y373-F376 PolarHBondContact O-N 3.18Å; F376-S378 PolarHBondContact O-N 3.07Å; F376-S378 VanDerWaalsContact O-N 3.12Å; F376-L379 PolarHBondContact O-N 2.9Å; F376-A380 HydrophobicContact CD1-CB 3.88Å; F376-A380 WeakPolarHBondContact O-CB 3.47Å; F376-A380 PolarHBondContact O-N 2.95Å
377Q31.8Very low30.8Very low108 Ų10879.2 Ų79.251%0.50542%0.415SS..Hα-helixtrans-52.1-38.4-176.9-72.6179.1-32.300114.2D172 Y373 L379D172-Q377 PolarHBondContact OD1-NE2 2.96Å; D172-Q377 PolarHBondContact OD2-NE2 3.45Å; Y373-Q377 PolarHBondContact O-N 3.13Å; Q377-L379 VanDerWaalsContact C-N 3.34Å
378S28.5Very low30.7Very low96 Ų9672.9 Ų72.967%0.67139%0.386SS*.THydrogen-bonded Turntrans-80-11.1-178.152.60000114.6K375 F376K375-S378 PolarHBondContact O-OG 2.8Å; F376-S378 PolarHBondContact O-N 3.07Å; F376-S378 VanDerWaalsContact O-N 3.12Å
379L28.3Very low30.2Very low113 Ų11371.6 Ų71.659%0.59237%0.374SS*.THydrogen-bonded Turntrans-122.1-28.1-176.6-78.7161.8000113.9F376 Q377 C381 F382F376-L379 PolarHBondContact O-N 2.9Å; Q377-L379 VanDerWaalsContact C-N 3.34Å; L379-C381 VanDerWaalsContact C-N 3.25Å; L379-C381 PolarHBondContact O-N 2.77Å; L379-F382 VanDerWaalsContact O-CD2 3.26Å; L379-F382 WeakPolarHBondContact O-CD2 3.29Å; L379-F382 WeakPolarHBondContact O-CE2 3.33Å
380A28.1Very low30.1Very low22 Ų2271.5 Ų71.518%0.18237%0.368CS..  trans-83.830.2-168.900000115.3F376 F382F376-A380 HydrophobicContact CD1-CB 3.88Å; F376-A380 WeakPolarHBondContact O-CB 3.47Å; F376-A380 PolarHBondContact O-N 2.95Å; A380-F382 PolarHBondContact O-N 2.75Å
381C26.2Very low29.7Very low40 Ų4063.9 Ų63.927%0.2734%0.339SS..  trans-70.835.6-178.1-124.40000115.3Q75 L379Q75-C381 HydrophobicContact CG-CB 4.11Å; Q75-C381 PolarHBondContact NE2-O 3.27Å; L379-C381 VanDerWaalsContact C-N 3.25Å; L379-C381 PolarHBondContact O-N 2.77Å
382F29.1Very low29.5Very low57 Ų5760.1 Ų60.125%0.2533%0.331CS..  trans-143.5162.4-151.9-76.4-90.1000115.8R24 F25 H125 F127 L379 A380R24-F382 VanDerWaalsContact O-CE1 3.25Å; R24-F382 WeakPolarHBondContact O-CE1 3.3Å; F25-F382 VanDerWaalsContact C-CD1 3.42Å; H125-F382 AromaticContact CE1-CD1 3.93Å; H125-F382 AromaticContact NE2-CD1 3.66Å; F127-F382 HydrophobicContact CD2-CB 3.74Å; F127-F382 HydrophobicContact CD2-CD2 4.4Å; F127-F382 HydrophobicContact CD2-CG 4.1Å; F127-F382 HydrophobicContact CE2-CB 3.77Å; F127-F382 HydrophobicContact CE2-CD1 4.24Å; F127-F382 AromaticContact CE2-CD2 3.56Å; F127-F382 HydrophobicContact CE2-CD2 3.56Å; F127-F382 HydrophobicContact CE2-CE2 4.18Å; F127-F382 AromaticContact CE2-CG 3.62Å; F127-F382 HydrophobicContact CE2-CG 3.62Å; F127-F382 HydrophobicContact CZ-CD2 4.39Å; L379-F382 VanDerWaalsContact O-CD2 3.26Å; L379-F382 WeakPolarHBondContact O-CD2 3.29Å; L379-F382 WeakPolarHBondContact O-CE2 3.33Å; A380-F382 PolarHBondContact O-N 2.75Å
383C27.9Very low29.4Very low1 Ų164 Ų641%0.00734%0.338CS..  trans72.7106.3167.8-5.10000122.1Y122 H125 F128Y122-C383 HydrophobicContact CD2-CB 3.17Å; Y122-C383 VanDerWaalsContact CE2-C 3.45Å; Y122-C383 HydrophobicContact CE2-CB 3.71Å; Y122-C383 WeakPolarHBondContact CE2-O 3.28Å; Y122-C383 HydrophobicContact CG-CB 4.01Å; H125-C383 HydrophobicContact CB-CB 4.37Å; H125-C383 VanDerWaalsContact CD2-CB 3.45Å; H125-C383 WeakPolarHBondContact CD2-CB 3.42Å; H125-C383 PolarHBondContact CE1-SG 3.11Å; H125-C383 PolarHBondContact ND1-SG 3.42Å; H125-C383 VanDerWaalsContact ND1-SG 3.37Å; H125-C383 PolarHBondContact NE2-N 3.46Å; H125-C383 PolarHBondContact NE2-SG 2.92Å; H125-C383 VanDerWaalsContact NE2-SG 3.39Å; F128-C383 HydrophobicContact CD2-CB 3.86Å; F128-C383 HydrophobicContact CE2-CB 3.67Å
384F33.2Very low29.4Very low14 Ų1466.8 Ų66.86%0.06135%0.352CS..  trans-143.1154.1156.3-27.5-61.7000111.2F27 Y122 A166 V167 F255 L259F27-F384 WeakPolarHBondContact CZ-O 3.41Å; Y122-F384 VanDerWaalsContact CD1-C 3.45Å; Y122-F384 VanDerWaalsContact CE1-C 3.41Å; Y122-F384 VanDerWaalsContact CE1-CA 3.49Å; A166-F384 WeakPolarHBondContact O-CD1 3.42Å; A166-F384 WeakPolarHBondContact O-CE1 3.12Å; V167-F384 VanDerWaalsContact CA-CE1 3.49Å; V167-F384 WeakPolarHBondContact O-CE1 3.4Å; V167-F384 VanDerWaalsContact O-CZ 3.22Å; V167-F384 WeakPolarHBondContact O-CZ 3.46Å; F255-F384 WeakPolarHBondContact CD2-O 3.5Å; F255-F384 HydrophobicContact CE2-CB 3.78Å; F255-F384 AromaticContact CE2-CD2 3.6Å; F255-F384 HydrophobicContact CE2-CD2 3.6Å; F255-F384 AromaticContact CE2-CG 3.98Å; F255-F384 HydrophobicContact CE2-CG 3.98Å; F255-F384 VanDerWaalsContact CE2-O 3.26Å; F255-F384 WeakPolarHBondContact CE2-O 3.48Å; F255-F384 AromaticContact CZ-CD2 3.72Å; F255-F384 HydrophobicContact CZ-CD2 3.72Å; F255-F384 HydrophobicContact CZ-CE2 4.24Å; F255-F384 HydrophobicContact CZ-CG 4.34Å; L259-F384 HydrophobicContact CD2-CD2 4.02Å; L259-F384 HydrophobicContact CD2-CE2 3.48Å; L259-F384 VanDerWaalsContact CD2-CE2 3.48Å
385F33.5Very low29.5Very low17 Ų1766.5 Ų66.58%0.07534%0.34CS..  cis-147.7159.114.4-122.3-61.9000114.1Y122 L163 V167 T244Y122-F385 VanDerWaalsContact CD1-N 3.27Å; L163-F385 HydrophobicContact CB-CD1 4.34Å; L163-F385 HydrophobicContact CB-CE1 3.66Å; L163-F385 HydrophobicContact CD2-CD1 4.38Å; L163-F385 HydrophobicContact CD2-CE1 4.49Å; L163-F385 HydrophobicContact CG-CD1 4.22Å; L163-F385 HydrophobicContact CG-CE1 4.01Å; L163-F385 WeakPolarHBondContact O-CE1 3.12Å; L163-F385 WeakPolarHBondContact O-CZ 3.4Å; V167-F385 HydrophobicContact CG2-CE2 3.55Å; V167-F385 HydrophobicContact CG2-CZ 3.7Å; T244-F385 WeakPolarHBondContact O-CD1 3.19Å; T244-F385 WeakPolarHBondContact OG1-CB 3.27Å; T244-F385 WeakPolarHBondContact OG1-CD2 3.48Å; T244-F385 WeakPolarHBondContact OG1-CG 3.1Å
386G26.2Very low29.4Very low2 Ų263.6 Ų63.62%0.02133%0.331CS..  trans170.4160.9-179.800000115.7T121 L163 T244 G245T121-G386 PolarHBondContact OG1-O 3.24Å; L163-G386 VanDerWaalsContact CD1-O 3.27Å; L163-G386 WeakPolarHBondContact CD1-O 3.42Å; L163-G386 WeakPolarHBondContact CG-O 3.28Å; T244-G386 PolarHBondContact O-N 3.31Å; T244-G386 VanDerWaalsContact O-N 3.15Å; G245-G386 WeakPolarHBondContact O-CA 3.06Å
387V30.3Very low29.3Very low26 Ų2665.5 Ų65.516%0.15834%0.343CS..  cis-150.4-158.1-2.5-158.70000111.9R120 G245 K246R120-V387 VanDerWaalsContact C-CG2 3.48Å; R120-V387 HydrophobicContact CB-CB 4.2Å; R120-V387 HydrophobicContact CB-CG2 3.8Å; R120-V387 HydrophobicContact CG-CB 3.61Å; R120-V387 HydrophobicContact CG-CG1 4.34Å; R120-V387 HydrophobicContact CG-CG2 3.58Å; R120-V387 VanDerWaalsContact O-CG2 3.24Å; R120-V387 WeakPolarHBondContact O-CG2 3.2Å; G245-V387 VanDerWaalsContact O-CA 3.3Å; G245-V387 WeakPolarHBondContact O-CA 3.3Å; G245-V387 WeakPolarHBondContact O-CG1 3.3Å; K246-V387 WeakPolarHBondContact CG-O 3.27Å; K246-V387 WeakPolarHBondContact O-CG1 3.46Å
388H29.4Very low29.3Very low62 Ų6268.3 Ų68.329%0.28735%0.351SS..  trans-126.4123.9-163.2-166-38.8000118.8R120 K246R120-H388 VanDerWaalsContact CZ-C 3.46Å; R120-H388 PolarHBondContact NH1-O 3.27Å; K246-H388 HydrophobicContact CB-CB 3.69Å; K246-H388 HydrophobicContact CD-CB 4.02Å; K246-H388 HydrophobicContact CG-CB 3.59Å; K246-H388 WeakPolarHBondContact O-CB 3.37Å; K246-H388 PolarHBondContact O-N 3.41Å
389L25.7Very low29.4Very low87 Ų8768.9 Ų68.946%0.45535%0.346SS..  trans-171126.2151-105.5124.3000102.3R120 D159R120-L389 VanDerWaalsContact NH1-CD1 3.29Å; R120-L389 VanDerWaalsContact NH2-N 3.11Å; D159-L389 WeakPolarHBondContact CB-O 3.25Å
390L29Very low29.5Very low62 Ų6271.4 Ų71.433%0.32535%0.352SS..SBendcis-135.8-3.449.5-97.2150.3000117.1D159 S392 K393D159-L390 WeakPolarHBondContact OD1-CD1 3.25Å; D159-L390 PolarHBondContact OD2-N 3.16Å; L390-S392 PolarHBondContact O-N 3.01Å; L390-K393 HydrophobicContact CD2-CD 3.99Å; L390-K393 HydrophobicContact CD2-CG 4.33Å; L390-K393 PolarHBondContact O-N 3.15Å
391A29.4Very low29.7Very low24 Ų2477.9 Ų77.920%0.19838%0.377CS..THydrogen-bonded Turntrans-47.7-28.9-171.900000116.1K393 F394 Y395A391-K393 PolarHBondContact O-N 3.29Å; A391-F394 PolarHBondContact O-N 3.35Å; A391-F394 VanDerWaalsContact O-N 3.17Å; A391-Y395 PolarHBondContact O-N 2.8Å
392S27.9Very low29.8Very low79 Ų7983.6 Ų83.655%0.55240%0.397SS*.Hα-helixtrans-55.7-29.6175.8-155.50000114.2L390 L396L390-S392 PolarHBondContact O-N 3.01Å; S392-L396 PolarHBondContact O-N 3.43Å
393K28.3Very low29.8Very low153 Ų15385.8 Ų85.867%0.66542%0.417SS*.Hα-helixtrans-76-33.4178.4-74.3-162.8171.3-168.50113.4L390 A391L390-K393 HydrophobicContact CD2-CD 3.99Å; L390-K393 HydrophobicContact CD2-CG 4.33Å; L390-K393 PolarHBondContact O-N 3.15Å; A391-K393 PolarHBondContact O-N 3.29Å
394F31.9Very low29.8Very low134 Ų13494.6 Ų94.659%0.58846%0.463SS*.Hα-helixtrans-78.7-31.4171.5-85.9-84.4000112.2A391 L396 L397 Y398A391-F394 PolarHBondContact O-N 3.35Å; A391-F394 VanDerWaalsContact O-N 3.17Å; F394-L396 VanDerWaalsContact C-N 3.32Å; F394-L396 PolarHBondContact O-N 3.17Å; F394-L397 PolarHBondContact O-N 3.23Å; F394-Y398 PolarHBondContact O-N 3.28Å
395Y32.2Very low29.6Very low79 Ų7997.9 Ų97.931%0.3149%0.493SS..Hα-helixtrans-63.4-32.9179.3-102.8-98.9000113.9F232 Y236 A391 L399F232-Y395 HydrophobicContact CD1-CE1 4.49Å; F232-Y395 AromaticContact CE1-CD1 4Å; F232-Y395 HydrophobicContact CE1-CD1 4Å; F232-Y395 AromaticContact CE1-CE1 3.72Å; F232-Y395 HydrophobicContact CE1-CE1 3.72Å; F232-Y395 HydrophobicContact CE2-CE1 4.44Å; F232-Y395 AromaticContact CZ-CD1 3.79Å; F232-Y395 HydrophobicContact CZ-CD1 3.79Å; F232-Y395 AromaticContact CZ-CE1 3.69Å; F232-Y395 HydrophobicContact CZ-CE1 3.69Å; Y236-Y395 HydrophobicContact CE2-CE1 4.22Å; Y236-Y395 AromaticContact CE2-CZ 3.85Å; Y236-Y395 WeakPolarHBondContact CE2-OH 3.43Å; Y236-Y395 AromaticContact CZ-CZ 3.79Å; Y236-Y395 WeakPolarHBondContact OH-CE1 3.46Å; Y236-Y395 PolarHBondContact OH-OH 3.42Å; A391-Y395 PolarHBondContact O-N 2.8Å; Y395-L399 WeakPolarHBondContact O-CB 3.38Å; Y395-L399 WeakPolarHBondContact O-CD1 3.45Å; Y395-L399 VanDerWaalsContact O-CG 3.28Å; Y395-L399 WeakPolarHBondContact O-CG 3.41Å; Y395-L399 PolarHBondContact O-N 3.28Å
396L29.3Very low29.4Very low102 Ų102108.7 Ų108.753%0.53455%0.552SS.*Hα-helixtrans-69.6-47.7171.5-81.2162.6000111.6S392 F394 Y398 L399 F400S392-L396 PolarHBondContact O-N 3.43Å; F394-L396 VanDerWaalsContact C-N 3.32Å; F394-L396 PolarHBondContact O-N 3.17Å; L396-Y398 VanDerWaalsContact C-N 3.33Å; L396-Y398 PolarHBondContact O-N 2.88Å; L396-L399 PolarHBondContact O-N 3.36Å; L396-L399 VanDerWaalsContact O-N 3.1Å; L396-F400 HydrophobicContact CD2-CE2 4.37Å; L396-F400 WeakPolarHBondContact O-CD2 3.14Å; L396-F400 PolarHBondContact O-N 3.18Å; L396-F400 VanDerWaalsContact O-N 3.14Å
397L28.5Very low29.6Very low97 Ų97114.1 Ų114.151%0.50858%0.578SS.*Hα-helixtrans-59-42.7177.4-81.7159.9000112.3F394 L399 F400 F401F394-L397 PolarHBondContact O-N 3.23Å; L397-L399 VanDerWaalsContact C-N 3.26Å; L397-L399 PolarHBondContact O-N 2.83Å; L397-F400 PolarHBondContact O-N 2.98Å; L397-F401 HydrophobicContact CD2-CD2 3.99Å; L397-F401 HydrophobicContact CD2-CE2 3.77Å; L397-F401 WeakPolarHBondContact O-CB 3.45Å; L397-F401 WeakPolarHBondContact O-CD2 3.45Å; L397-F401 PolarHBondContact O-N 3.33Å; L397-F401 VanDerWaalsContact O-N 3.08Å
398Y31.7Very low29.6Very low167 Ų167118.7 Ų118.766%0.65560%0.6SS**Hα-helixtrans-70.1-19.3178-128.1-87.3000114F394 L396 F402F394-Y398 PolarHBondContact O-N 3.28Å; L396-Y398 VanDerWaalsContact C-N 3.33Å; L396-Y398 PolarHBondContact O-N 2.88Å; Y398-F402 HydrophobicContact CE1-CD2 4.08Å; Y398-F402 HydrophobicContact CE1-CE2 4.26Å
399L32.6Very low29.6Very low108 Ų108121.8 Ų121.857%0.56562%0.618SS**Hα-helixtrans-84.2-21.7172.1-80.1170.2000113.3F232 Y395 L396 L397F232-L399 HydrophobicContact CE2-CD2 3.87Å; F232-L399 HydrophobicContact CZ-CD1 4.23Å; F232-L399 HydrophobicContact CZ-CD2 4.08Å; F232-L399 HydrophobicContact CZ-CG 4.37Å; Y395-L399 WeakPolarHBondContact O-CB 3.38Å; Y395-L399 WeakPolarHBondContact O-CD1 3.45Å; Y395-L399 VanDerWaalsContact O-CG 3.28Å; Y395-L399 WeakPolarHBondContact O-CG 3.41Å; Y395-L399 PolarHBondContact O-N 3.28Å; L396-L399 PolarHBondContact O-N 3.36Å; L396-L399 VanDerWaalsContact O-N 3.1Å; L397-L399 VanDerWaalsContact C-N 3.26Å; L397-L399 PolarHBondContact O-N 2.83Å
400F29.5Very low29.8Very low166 Ų166123.9 Ų123.973%0.72863%0.627SS**Hα-helixtrans-98.4-18.8-179.8-86.9-78.6000114.5L396 L397L396-F400 HydrophobicContact CD2-CE2 4.37Å; L396-F400 WeakPolarHBondContact O-CD2 3.14Å; L396-F400 PolarHBondContact O-N 3.18Å; L396-F400 VanDerWaalsContact O-N 3.14Å; L397-F400 PolarHBondContact O-N 2.98Å
401F31.2Very low29.8Very low159 Ų159127.8 Ų127.870%0.69765%0.646SS**SBendtrans-108.74.8-172.1-83.7-91.4000116.3L397 P403L397-F401 HydrophobicContact CD2-CD2 3.99Å; L397-F401 HydrophobicContact CD2-CE2 3.77Å; L397-F401 WeakPolarHBondContact O-CB 3.45Å; L397-F401 WeakPolarHBondContact O-CD2 3.45Å; L397-F401 PolarHBondContact O-N 3.33Å; L397-F401 VanDerWaalsContact O-N 3.08Å; F401-P403 WeakPolarHBondContact O-CD 3.24Å
402F29.6Very low29.9Very low159 Ų159134.7 Ų134.770%0.69768%0.676SS**  trans-107.8100.1168.3-113.4-83.5000110.2Y398Y398-F402 HydrophobicContact CE1-CD2 4.08Å; Y398-F402 HydrophobicContact CE1-CE2 4.26Å
403P29Very low30Very low103 Ų103138.6 Ų138.667%0.66969%0.685SS**  trans-70156.7176.330.1-34.8000111.3F401 A405F401-P403 WeakPolarHBondContact O-CD 3.24Å; P403-A405 PolarHBondContact O-N 3Å
404L27.2Very low30.2Very low186 Ų186137.5 Ų137.597%0.97469%0.686SS**  trans-61.8117.6168.5-71.8154.8000109.3
405A29.7Very low30Very low84 Ų84137.8 Ų137.869%0.69470%0.695SS**  trans-142.188.5178.200000109.7P403P403-A405 PolarHBondContact O-N 3Å
406N29.8Very low29.8Very low244 Ų244143.2 Ų143.2100%1.30573%0.73SS**  trans60.80-179.7-58.1-18.6000115.8

Retrieved 406 of 406 residues in 396.8 ms (Link to these results)

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