A0A077Z1G3_TRITR Loading...

26S proteasome non ATPase regulatory subunit 12

AlphaFold DB , UniProt , Accession A0A077Z1G3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 494 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
1M37.2Very low46.7Very low245 Ų245124.6 Ų124.6100%1.20770%0.704SS**  0106.20-77.9176.4175.200107.8
2G35.4Very low47.9Very low76 Ų76121.8 Ų121.878%0.78469%0.691SS**  trans-70.1132172.100000110.1
3R36.1Very low48.9Very low237 Ų237117.2 Ų117.289%0.89467%0.671SS**  trans168.1141.8136.2-93.4172.1-176.9-166.41.5108.3
4M36.7Very low49.7Very low155 Ų155112.7 Ų112.776%0.76466%0.655SS**  trans91.968.8166.7-49.6-154.3-155.500118.3
5L39.1Very low50.2Low137 Ų137110.8 Ų110.872%0.71765%0.645SS**  trans-130.615135-82.1172.3000116.3T7 V8L5-T7 PolarHBondContact O-N 3.25Å; L5-V8 HydrophobicContact CD2-CG2 3.9Å
6P49.9Very low50Low98 Ų98110.1 Ų110.164%0.63664%0.637SS**Hα-helixtrans-64.6-23.4170.2-18.129.9000114.4A10P6-A10 PolarHBondContact O-N 3.02Å; P6-A10 VanDerWaalsContact O-N 3.11Å
7T50.2Low50.2Low94 Ų94109.4 Ų109.458%0.57763%0.63SS**Hα-helixtrans-72.7-31.3-171.746.30000113.3L5 A11L5-T7 PolarHBondContact O-N 3.25Å; T7-A11 VanDerWaalsContact O-CB 3.24Å; T7-A11 WeakPolarHBondContact O-CB 3.31Å; T7-A11 PolarHBondContact O-N 3.35Å
8V49.9Very low50.1Low80 Ų80106 Ų10649%0.48562%0.617SS.*Hα-helixtrans-70.7-43.3178-1770000110.5L5 A11 V12L5-V8 HydrophobicContact CD2-CG2 3.9Å; V8-A11 PolarHBondContact O-N 2.86Å; V8-V12 HydrophobicContact CG1-CG2 4.36Å; V8-V12 WeakPolarHBondContact O-CB 3.34Å; V8-V12 VanDerWaalsContact O-CG2 3.27Å; V8-V12 WeakPolarHBondContact O-CG2 3.49Å; V8-V12 PolarHBondContact O-N 2.99Å
9N56.7Low49.8Very low131 Ų131106.1 Ų106.170%0.70161%0.612SS**Hα-helixtrans-65.3-40.5175.4-96.19.8000112.3S13N9-S13 WeakPolarHBondContact O-CB 3.41Å; N9-S13 PolarHBondContact O-N 3.07Å
10A62.3Low49.8Very low63 Ų63106.3 Ų106.352%0.52161%0.608SS.*Hα-helixtrans-65.8-39.517600000112P6 A14P6-A10 PolarHBondContact O-N 3.02Å; P6-A10 VanDerWaalsContact O-N 3.11Å; A10-A14 WeakPolarHBondContact O-CB 3.45Å; A10-A14 PolarHBondContact O-N 2.93Å
11A60.6Low49.8Very low55 Ų55103.4 Ų103.446%0.45560%0.597SS.*Hα-helixtrans-68.2-43.4177.200000112.1T7 V8 A14 V15T7-A11 VanDerWaalsContact O-CB 3.24Å; T7-A11 WeakPolarHBondContact O-CB 3.31Å; T7-A11 PolarHBondContact O-N 3.35Å; V8-A11 PolarHBondContact O-N 2.86Å; A11-A14 PolarHBondContact O-N 3.21Å; A11-V15 WeakPolarHBondContact O-CB 3.45Å; A11-V15 VanDerWaalsContact O-CG2 3.24Å; A11-V15 WeakPolarHBondContact O-CG2 3.46Å; A11-V15 PolarHBondContact O-N 3.4Å
12V60.7Low50.3Low91 Ų9196.2 Ų96.255%0.55256%0.563SS**Hα-helixtrans-64.2-43.2175.2173.90000110.5V8 A14 V15 L16V8-V12 HydrophobicContact CG1-CG2 4.36Å; V8-V12 WeakPolarHBondContact O-CB 3.34Å; V8-V12 VanDerWaalsContact O-CG2 3.27Å; V8-V12 WeakPolarHBondContact O-CG2 3.49Å; V8-V12 PolarHBondContact O-N 2.99Å; V12-A14 PolarHBondContact O-N 2.98Å; V12-V15 PolarHBondContact O-N 2.86Å; V12-L16 WeakPolarHBondContact O-CB 3.04Å; V12-L16 PolarHBondContact O-N 3.2Å
13S60.9Low51.1Low61 Ų6199 Ų9943%0.42756%0.556SS.*Hα-helixtrans-65.9-37.9176.4-157.30000111.8N9 L16 I17N9-S13 WeakPolarHBondContact O-CB 3.41Å; N9-S13 PolarHBondContact O-N 3.07Å; S13-L16 PolarHBondContact O-N 3.08Å; S13-I17 WeakPolarHBondContact O-CB 3.44Å; S13-I17 WeakPolarHBondContact O-CD1 3.28Å; S13-I17 WeakPolarHBondContact O-CG1 3.31Å; S13-I17 PolarHBondContact O-N 2.69Å
14A59.4Low52.1Low55 Ų5589.3 Ų89.346%0.45552%0.524SS..Hα-helixtrans-68.9-37.7175.800000112.1A10 A11 V12 A18A10-A14 WeakPolarHBondContact O-CB 3.45Å; A10-A14 PolarHBondContact O-N 2.93Å; A11-A14 PolarHBondContact O-N 3.21Å; V12-A14 PolarHBondContact O-N 2.98Å; A14-A18 WeakPolarHBondContact O-CB 3.4Å; A14-A18 PolarHBondContact O-N 2.89Å
15V57.3Low53.3Low84 Ų8483.6 Ų83.651%0.50950%0.498SS..Hα-helixtrans-67.3-41.7173.3171.90000110.4A11 V12 A18 M19A11-V15 WeakPolarHBondContact O-CB 3.45Å; A11-V15 VanDerWaalsContact O-CG2 3.24Å; A11-V15 WeakPolarHBondContact O-CG2 3.46Å; A11-V15 PolarHBondContact O-N 3.4Å; V12-V15 PolarHBondContact O-N 2.86Å; V15-A18 PolarHBondContact O-N 3.32Å; V15-M19 HydrophobicContact CG1-CG 4.35Å; V15-M19 HydrophobicContact CG1-SD 4.01Å; V15-M19 WeakPolarHBondContact O-CB 3.39Å; V15-M19 VanDerWaalsContact O-CG 3.23Å; V15-M19 WeakPolarHBondContact O-CG 3.4Å; V15-M19 PolarHBondContact O-N 2.69Å
16L47.9Very low54.6Low99 Ų9980.4 Ų80.452%0.51848%0.481SS..Hα-helixtrans-62.8-47.4175.5-160.480.4000111.1V12 S13 A18 M19 E20V12-L16 WeakPolarHBondContact O-CB 3.04Å; V12-L16 PolarHBondContact O-N 3.2Å; S13-L16 PolarHBondContact O-N 3.08Å; L16-A18 VanDerWaalsContact C-N 3.33Å; L16-A18 PolarHBondContact O-N 3.14Å; L16-M19 PolarHBondContact O-N 2.75Å; L16-E20 WeakPolarHBondContact O-CB 3.36Å; L16-E20 WeakPolarHBondContact O-CG 3.37Å; L16-E20 PolarHBondContact O-N 3.23Å
17I53.7Low55.6Low98 Ų9875.8 Ų75.850%0.50345%0.451SS..Hα-helixtrans-62.5-39.4175.4-68.5162.9000110.9S13 A21S13-I17 WeakPolarHBondContact O-CB 3.44Å; S13-I17 WeakPolarHBondContact O-CD1 3.28Å; S13-I17 WeakPolarHBondContact O-CG1 3.31Å; S13-I17 PolarHBondContact O-N 2.69Å; I17-A21 WeakPolarHBondContact O-CB 3.42Å; I17-A21 PolarHBondContact O-N 3.44Å
18A47.9Very low56.7Low49 Ų4975.1 Ų75.141%0.40544%0.442SS..Hα-helixtrans-70.3-33.6177.200000112.2A14 V15 L16 N22A14-A18 WeakPolarHBondContact O-CB 3.4Å; A14-A18 PolarHBondContact O-N 2.89Å; V15-A18 PolarHBondContact O-N 3.32Å; L16-A18 VanDerWaalsContact C-N 3.33Å; L16-A18 PolarHBondContact O-N 3.14Å; A18-N22 VanDerWaalsContact O-CB 3.24Å; A18-N22 WeakPolarHBondContact O-CB 3.41Å; A18-N22 PolarHBondContact O-N 2.89Å
19M44.5Very low57.9Low107 Ų10771.7 Ų71.753%0.52742%0.42SS..Hα-helixtrans-68.9-47.7172.3-75179.768.400110.8V15 L16 A21 N22 E23V15-M19 HydrophobicContact CG1-CG 4.35Å; V15-M19 HydrophobicContact CG1-SD 4.01Å; V15-M19 WeakPolarHBondContact O-CB 3.39Å; V15-M19 VanDerWaalsContact O-CG 3.23Å; V15-M19 WeakPolarHBondContact O-CG 3.4Å; V15-M19 PolarHBondContact O-N 2.69Å; L16-M19 PolarHBondContact O-N 2.75Å; M19-A21 VanDerWaalsContact C-N 3.32Å; M19-A21 PolarHBondContact O-N 3.47Å; M19-N22 PolarHBondContact O-N 3.36Å; M19-E23 WeakPolarHBondContact O-CB 3.4Å; M19-E23 WeakPolarHBondContact O-CG 3.45Å; M19-E23 PolarHBondContact O-N 3.35Å
20E49.6Very low58.1Low111 Ų11167.3 Ų67.352%0.51941%0.405SS..Hα-helixtrans-59.7-42173.7-74176.817400111.5L16 S24L16-E20 WeakPolarHBondContact O-CB 3.36Å; L16-E20 WeakPolarHBondContact O-CG 3.37Å; L16-E20 PolarHBondContact O-N 3.23Å; E20-S24 VanDerWaalsContact O-CB 3.23Å; E20-S24 WeakPolarHBondContact O-CB 3.23Å; E20-S24 PolarHBondContact O-N 3.24Å; E20-S24 PolarHBondContact O-OG 3.01Å
21A49.3Very low58.5Low46 Ų4668.6 Ų68.638%0.3840%0.404SS..Hα-helixtrans-64.7-44.9175.800000111.1I17 M19 S24 T25I17-A21 WeakPolarHBondContact O-CB 3.42Å; I17-A21 PolarHBondContact O-N 3.44Å; M19-A21 VanDerWaalsContact C-N 3.32Å; M19-A21 PolarHBondContact O-N 3.47Å; A21-S24 PolarHBondContact O-N 3.4Å; A21-S24 PolarHBondContact O-OG 2.92Å; A21-T25 WeakPolarHBondContact O-CG2 3.28Å; A21-T25 PolarHBondContact O-N 2.95Å
22N48.9Very low58.8Low93 Ų9368.1 Ų68.150%0.49740%0.404SS..Hα-helixtrans-63.7-46.2177-88.8-17.6000112A18 M19 S24 T25 I26A18-N22 VanDerWaalsContact O-CB 3.24Å; A18-N22 WeakPolarHBondContact O-CB 3.41Å; A18-N22 PolarHBondContact O-N 2.89Å; M19-N22 PolarHBondContact O-N 3.36Å; N22-S24 PolarHBondContact O-N 2.93Å; N22-T25 PolarHBondContact O-N 3.26Å; N22-T25 PolarHBondContact O-OG1 2.93Å; N22-I26 WeakPolarHBondContact O-CG1 3.25Å; N22-I26 PolarHBondContact O-N 2.86Å
23E51.6Low59.5Low136 Ų13671.8 Ų71.864%0.63641%0.408SS*.Hα-helixtrans-56.7-41.5173.7-77-176.8176.400110.8M19 T25 I26M19-E23 WeakPolarHBondContact O-CB 3.4Å; M19-E23 WeakPolarHBondContact O-CG 3.45Å; M19-E23 PolarHBondContact O-N 3.35Å; E23-T25 PolarHBondContact O-N 3.45Å; E23-I26 PolarHBondContact O-N 3.4Å
24S57.3Low60.1Low33 Ų3374.7 Ų74.723%0.23142%0.418CS..Hα-helixtrans-68.7-14.5179.686.70000114.9E20 A21 N22 K82E20-S24 VanDerWaalsContact O-CB 3.23Å; E20-S24 WeakPolarHBondContact O-CB 3.23Å; E20-S24 PolarHBondContact O-N 3.24Å; E20-S24 PolarHBondContact O-OG 3.01Å; A21-S24 PolarHBondContact O-N 3.4Å; A21-S24 PolarHBondContact O-OG 2.92Å; N22-S24 PolarHBondContact O-N 2.93Å; S24-K82 PolarHBondContact OG-NZ 3.17Å
25T60.6Low60.6Low34 Ų3475.1 Ų75.121%0.20941%0.411CS..Hα-helixtrans-100.2-6.1177.860.40000114.1A21 N22 E23 K36 M37A21-T25 WeakPolarHBondContact O-CG2 3.28Å; A21-T25 PolarHBondContact O-N 2.95Å; N22-T25 PolarHBondContact O-N 3.26Å; N22-T25 PolarHBondContact O-OG1 2.93Å; E23-T25 PolarHBondContact O-N 3.45Å; T25-K36 CarbonylContact O-C 3.54Å; T25-K36 WeakPolarHBondContact O-CA 3.44Å; T25-M37 PolarHBondContact O-N 3.29Å
26I67.4Low61.4Low71 Ų7177.7 Ų77.736%0.36442%0.415SS..EExtended strand (participates in β ladder)trans-109.4108.3-178-60.8167.6000108.1N22 E23 L34N22-I26 WeakPolarHBondContact O-CG1 3.25Å; N22-I26 PolarHBondContact O-N 2.86Å; E23-I26 PolarHBondContact O-N 3.4Å; I26-L34 HydrophobicContact CG2-CB 3.92Å; I26-L34 HydrophobicContact CG2-CD2 3.88Å; I26-L34 HydrophobicContact CG2-CG 4.42Å
27A70.9Confident62.6Low1 Ų175.6 Ų75.61%0.00840%0.404CS..EExtended strand (participates in β ladder)trans-81.7130171.600000109.7L34 M35 A79 M81 I118A27-L34 WeakPolarHBondContact O-CA 3.24Å; A27-M35 PolarHBondContact N-O 2.9Å; A27-M35 PolarHBondContact O-N 3.48Å; A27-A79 HydrophobicContact CB-CB 4Å; A27-A79 WeakPolarHBondContact CB-O 3.26Å; A27-M81 HydrophobicContact CB-CB 4.08Å; A27-I118 HydrophobicContact CB-CD1 4.44Å; A27-I118 HydrophobicContact CB-CG2 4.33Å
28E73.9Confident63.5Low80 Ų8077.2 Ų77.237%0.37441%0.409SS..EExtended strand (participates in β ladder)trans-95.3120.4169-165.7-179.5-174.800109.9L34 K119E28-L34 HydrophobicContact CB-CD2 3.72Å; E28-L34 HydrophobicContact CG-CD2 3.62Å; E28-K119 HydrophobicContact CB-CD 4.27Å; E28-K119 HydrophobicContact CG-CD 3.77Å; E28-K119 HydrophobicContact CG-CG 4.46Å; E28-K119 WeakPolarHBondContact O-CG 3.41Å; E28-K119 PolarHBondContact O-N 2.96Å; E28-K119 WeakPolarHBondContact OE1-CE 3.5Å; E28-K119 IonicContact OE1-NZ 2.65Å; E28-K119 PolarHBondContact OE1-NZ 3.44Å; E28-K119 IonicContact OE2-NZ 3.34Å
29Y74.6Confident64.8Low8 Ų878.7 Ų78.73%0.03141%0.413CS..BIsolated β-bridgetrans-84.5152.4175.6-70.9-70.9000111.5D31 G32 R33 M35 R76 A79 S116 L117 I118 K119Y29-D31 VanDerWaalsContact CB-OD1 3.27Å; Y29-D31 WeakPolarHBondContact CB-OD1 3.36Å; Y29-D31 PolarHBondContact O-N 2.85Å; Y29-G32 PolarHBondContact O-N 3.44Å; Y29-R33 HydrophobicContact CD2-CB 4.12Å; Y29-R33 PolarHBondContact N-O 3.47Å; Y29-M35 HydrophobicContact CD2-CB 4.16Å; Y29-M35 HydrophobicContact CE2-CB 3.56Å; Y29-M35 HydrophobicContact CE2-CG 4.28Å; Y29-M35 HydrophobicContact CE2-SD 3.85Å; Y29-R76 PolarHBondContact OH-O 2.92Å; Y29-A79 HydrophobicContact CE2-CB 4.37Å; Y29-A79 WeakPolarHBondContact OH-CB 3.44Å; Y29-S116 VanDerWaalsContact CD1-O 3.32Å; Y29-S116 WeakPolarHBondContact CD1-O 3.39Å; Y29-S116 WeakPolarHBondContact CE1-O 3.37Å; Y29-L117 CarbonylContact C-O 3.6Å; Y29-L117 WeakPolarHBondContact CA-O 3.28Å; Y29-L117 WeakPolarHBondContact CD1-O 3.37Å; Y29-I118 HydrophobicContact CD1-CG1 4.11Å; Y29-I118 HydrophobicContact CE1-CG1 3.75Å; Y29-K119 WeakPolarHBondContact O-CE 3.47Å
30G60.4Low66.3Low38 Ų3878 Ų7839%0.39241%0.412SS..THydrogen-bonded Turntrans-56.7-19.8-178.100000115.1L117G30-L117 PolarHBondContact N-O 3.22Å
31D71.8Confident67.5Low91 Ų9174.4 Ų74.449%0.48740%0.395SS..THydrogen-bonded Turntrans-91.66.5174.967.9-16.1000114Y29 R33Y29-D31 VanDerWaalsContact CB-OD1 3.27Å; Y29-D31 WeakPolarHBondContact CB-OD1 3.36Å; Y29-D31 PolarHBondContact O-N 2.85Å; D31-R33 WeakPolarHBondContact OD1-CG 3.4Å; D31-R33 PolarHBondContact OD1-N 2.83Å; D31-R33 IonicContact OD1-NE 2.81Å; D31-R33 WeakPolarHBondContact OD2-CD 3.34Å; D31-R33 IonicContact OD2-CZ 3.65Å; D31-R33 VanDerWaalsContact OD2-CZ 3.28Å; D31-R33 IonicContact OD2-NE 3.88Å; D31-R33 PolarHBondContact OD2-NE 3.01Å; D31-R33 IonicContact OD2-NH2 3.8Å; D31-R33 PolarHBondContact OD2-NH2 3.29Å
32G66.7Low69Low44 Ų4474.2 Ų74.245%0.45439%0.389SS..SBendtrans89.50.8176.800000114.9Y29Y29-G32 PolarHBondContact O-N 3.44Å
33R74.4Confident70.5Confident169 Ų16973.7 Ų73.764%0.63839%0.393SS*.  trans-71.4131.9175.7-62.1179.7-154.7-163.10.7110.4Y29 D31Y29-R33 HydrophobicContact CD2-CB 4.12Å; Y29-R33 PolarHBondContact N-O 3.47Å; D31-R33 WeakPolarHBondContact OD1-CG 3.4Å; D31-R33 PolarHBondContact OD1-N 2.83Å; D31-R33 IonicContact OD1-NE 2.81Å; D31-R33 WeakPolarHBondContact OD2-CD 3.34Å; D31-R33 IonicContact OD2-CZ 3.65Å; D31-R33 VanDerWaalsContact OD2-CZ 3.28Å; D31-R33 IonicContact OD2-NE 3.88Å; D31-R33 PolarHBondContact OD2-NE 3.01Å; D31-R33 IonicContact OD2-NH2 3.8Å; D31-R33 PolarHBondContact OD2-NH2 3.29Å
34L72.9Confident71.8Confident122 Ų12269 Ų6964%0.63938%0.376SS*.EExtended strand (participates in β ladder)trans-99.9120.5170.1-64.8169.8000108.2I26 A27 E28I26-L34 HydrophobicContact CG2-CB 3.92Å; I26-L34 HydrophobicContact CG2-CD2 3.88Å; I26-L34 HydrophobicContact CG2-CG 4.42Å; A27-L34 WeakPolarHBondContact O-CA 3.24Å; E28-L34 HydrophobicContact CB-CD2 3.72Å; E28-L34 HydrophobicContact CG-CD2 3.62Å
35M71.2Confident72.9Confident63 Ų6367.5 Ų67.531%0.3137%0.365SS..EExtended strand (participates in β ladder)trans-126.4129.1-179.4-165.8161.8176.400109.6A27 Y29 E38 A79A27-M35 PolarHBondContact N-O 2.9Å; A27-M35 PolarHBondContact O-N 3.48Å; Y29-M35 HydrophobicContact CD2-CB 4.16Å; Y29-M35 HydrophobicContact CE2-CB 3.56Å; Y29-M35 HydrophobicContact CE2-CG 4.28Å; Y29-M35 HydrophobicContact CE2-SD 3.85Å; M35-E38 HydrophobicContact CE-CG 4.27Å; M35-E38 WeakPolarHBondContact CE-OE1 3.44Å; M35-A79 HydrophobicContact CB-CB 3.98Å; M35-A79 HydrophobicContact CG-CB 3.92Å; M35-A79 HydrophobicContact SD-CB 4.34Å
36K73.8Confident74Confident139 Ų13968.6 Ų68.660%0.60437%0.369SS*.EExtended strand (participates in β ladder)trans-76.1138.3175.6-166.8175.3-178.2177.20109.1T25 E38T25-K36 CarbonylContact O-C 3.54Å; T25-K36 WeakPolarHBondContact O-CA 3.44Å; K36-E38 PolarHBondContact O-N 3.34Å
37M73Confident74.8Confident55 Ų5571.7 Ų71.727%0.27138%0.382SS..  trans-53122.6176.6-176178.574.700110.7T25 D40 D80T25-M37 PolarHBondContact O-N 3.29Å; M37-D40 HydrophobicContact CE-CB 3.99Å; M37-D40 HydrophobicContact SD-CB 4.41Å; M37-D80 HydrophobicContact CG-CB 4.26Å; M37-D80 HydrophobicContact SD-CB 4.28Å
38E72.8Confident75.3Confident131 Ų13172.6 Ų72.661%0.61239%0.388SS*.SBendtrans-86.5-37.4-177.6-66.7-173.4165.600112.3M35 K36 V78M35-E38 HydrophobicContact CE-CG 4.27Å; M35-E38 WeakPolarHBondContact CE-OE1 3.44Å; K36-E38 PolarHBondContact O-N 3.34Å; E38-V78 HydrophobicContact CB-CG1 4.15Å; E38-V78 PolarHBondContact N-O 2.92Å
39V74.2Confident75.8Confident80 Ų8069.6 Ų69.649%0.48537%0.374SS..SBendtrans-145.4131.5-178.2-174.60000108.9L41 V78V39-L41 PolarHBondContact O-N 3.23Å; V39-V78 HydrophobicContact CB-CG1 3.51Å; V39-V78 HydrophobicContact CG2-CG1 4.13Å; V39-V78 WeakPolarHBondContact O-CG1 3.32Å
40D76.3Confident76.3Confident94 Ų9476.1 Ų76.150%0.50340%0.403SS..  trans-80.2115.8173.1-173.8-4.3000109.4M37 T42M37-D40 HydrophobicContact CE-CB 3.99Å; M37-D40 HydrophobicContact SD-CB 4.41Å; D40-T42 WeakPolarHBondContact OD1-CB 3.27Å; D40-T42 PolarHBondContact OD1-N 2.83Å; D40-T42 PolarHBondContact OD1-OG1 2.88Å
41L76.3Confident77.4Confident34 Ų3479.2 Ų79.218%0.17841%0.407CS..  trans-103.511.2179.3-72168.4000112.3V39 S43 S44 V45 K74 T75 V78 D80V39-L41 PolarHBondContact O-N 3.23Å; L41-S43 VanDerWaalsContact C-N 3.28Å; L41-S43 PolarHBondContact O-N 3.5Å; L41-S44 PolarHBondContact O-N 3.3Å; L41-S44 VanDerWaalsContact O-N 3.1Å; L41-V45 HydrophobicContact CB-CG2 4.37Å; L41-V45 WeakPolarHBondContact O-CG2 3.46Å; L41-V45 PolarHBondContact O-N 2.85Å; L41-K74 HydrophobicContact CD1-CB 4.34Å; L41-T75 HydrophobicContact CB-CG2 4.14Å; L41-T75 HydrophobicContact CD1-CG2 3.94Å; L41-V78 HydrophobicContact CD1-CB 4.45Å; L41-V78 HydrophobicContact CD1-CG2 4.29Å; L41-D80 PolarHBondContact N-OD2 2.77Å
42T80.1Confident77.9Confident42 Ų4274.9 Ų74.926%0.25838%0.384SS..Hα-helixtrans-52.9-41.9-174.8-58.40000112.7D40 V45 D46D40-T42 WeakPolarHBondContact OD1-CB 3.27Å; D40-T42 PolarHBondContact OD1-N 2.83Å; D40-T42 PolarHBondContact OD1-OG1 2.88Å; T42-V45 WeakPolarHBondContact O-CB 3.44Å; T42-V45 PolarHBondContact O-N 3.31Å; T42-D46 PolarHBondContact O-N 3.42Å
43S79.7Confident78.7Confident82 Ų8277.9 Ų77.957%0.57339%0.386SS*.Hα-helixtrans-64.5-45179.254.70000112.9L41 V45 D46 E47L41-S43 VanDerWaalsContact C-N 3.28Å; L41-S43 PolarHBondContact O-N 3.5Å; S43-V45 VanDerWaalsContact C-N 3.26Å; S43-V45 PolarHBondContact O-N 2.81Å; S43-D46 PolarHBondContact O-N 2.8Å; S43-E47 WeakPolarHBondContact O-CG 3.36Å; S43-E47 PolarHBondContact O-N 3.41Å; S43-E47 VanDerWaalsContact O-N 3.08Å
44S80.2Confident79.1Confident39 Ų3975.4 Ų75.427%0.27338%0.382SS..Hα-helixtrans-65.3-33.7176.2-176.50000111.3L41 T48L41-S44 PolarHBondContact O-N 3.3Å; L41-S44 VanDerWaalsContact O-N 3.1Å; S44-T48 WeakPolarHBondContact O-CB 3.43Å; S44-T48 VanDerWaalsContact O-CG2 3.3Å; S44-T48 WeakPolarHBondContact O-CG2 3.4Å; S44-T48 PolarHBondContact O-N 2.91Å; S44-T48 PolarHBondContact O-OG1 3.19Å
45V80.5Confident79.6Confident0 Ų070.9 Ų70.90%036%0.358CS..Hα-helixtrans-68.8-41.9175.5177.80000110.8L41 T42 S43 E47 T48 L49 L71 T75 L87L41-V45 HydrophobicContact CB-CG2 4.37Å; L41-V45 WeakPolarHBondContact O-CG2 3.46Å; L41-V45 PolarHBondContact O-N 2.85Å; T42-V45 WeakPolarHBondContact O-CB 3.44Å; T42-V45 PolarHBondContact O-N 3.31Å; S43-V45 VanDerWaalsContact C-N 3.26Å; S43-V45 PolarHBondContact O-N 2.81Å; V45-E47 PolarHBondContact O-N 3.28Å; V45-T48 WeakPolarHBondContact CA-OG1 3.33Å; V45-T48 PolarHBondContact O-N 2.73Å; V45-T48 PolarHBondContact O-OG1 3.43Å; V45-L49 HydrophobicContact CG1-CD1 3.74Å; V45-L49 HydrophobicContact CG1-CG 4.12Å; V45-L49 VanDerWaalsContact O-CB 3.26Å; V45-L49 WeakPolarHBondContact O-CB 3.48Å; V45-L49 WeakPolarHBondContact O-CG 2.93Å; V45-L49 PolarHBondContact O-N 3.45Å; V45-L71 HydrophobicContact CB-CD2 4.18Å; V45-L71 HydrophobicContact CG2-CD2 3.66Å; V45-L71 HydrophobicContact CG2-CG 4.4Å; V45-T75 HydrophobicContact CG2-CG2 3.99Å; V45-L87 HydrophobicContact CG1-CD1 4.38Å; V45-L87 HydrophobicContact CG1-CD2 4.09Å; V45-L87 HydrophobicContact CG1-CG 3.93Å; V45-L87 HydrophobicContact CG2-CD1 4.14Å
46D83.3Confident80Confident57 Ų5770.3 Ų70.331%0.30536%0.355SS..Hα-helixtrans-65.2-38.5177.7-72.5-27.4000112.6T42 S43 K50 R86T42-D46 PolarHBondContact O-N 3.42Å; S43-D46 PolarHBondContact O-N 2.8Å; D46-K50 VanDerWaalsContact O-CG 3.31Å; D46-K50 WeakPolarHBondContact O-CG 3.49Å; D46-K50 PolarHBondContact O-N 3.46Å; D46-R86 IonicContact OD1-CZ 2.78Å; D46-R86 IonicContact OD1-NH1 3.99Å; D46-R86 PolarHBondContact OD1-NH1 3.27Å; D46-R86 IonicContact OD1-NH2 3.38Å; D46-R86 PolarHBondContact OD1-NH2 3.08Å
47E84Confident80.4Confident136 Ų13672.1 Ų72.164%0.63636%0.363SS*.Hα-helixtrans-66.2-48.2175.3-72.1176.4176.200111.6S43 V45 L49 K50 E51S43-E47 WeakPolarHBondContact O-CG 3.36Å; S43-E47 PolarHBondContact O-N 3.41Å; S43-E47 VanDerWaalsContact O-N 3.08Å; V45-E47 PolarHBondContact O-N 3.28Å; E47-L49 PolarHBondContact O-N 2.84Å; E47-K50 PolarHBondContact O-N 3.39Å; E47-E51 PolarHBondContact O-N 2.88Å
48T81.7Confident80.9Confident20 Ų2074.6 Ų74.612%0.12337%0.373CS..Hα-helixtrans-69-33-179.9510000113.1S44 V45 E51 A52 L67 L71S44-T48 WeakPolarHBondContact O-CB 3.43Å; S44-T48 VanDerWaalsContact O-CG2 3.3Å; S44-T48 WeakPolarHBondContact O-CG2 3.4Å; S44-T48 PolarHBondContact O-N 2.91Å; S44-T48 PolarHBondContact O-OG1 3.19Å; V45-T48 WeakPolarHBondContact CA-OG1 3.33Å; V45-T48 PolarHBondContact O-N 2.73Å; V45-T48 PolarHBondContact O-OG1 3.43Å; T48-E51 PolarHBondContact O-N 3.3Å; T48-A52 WeakPolarHBondContact O-CB 3.37Å; T48-A52 PolarHBondContact O-N 2.86Å; T48-L67 VanDerWaalsContact CB-CD2 3.49Å; T48-L67 HydrophobicContact CG2-CD2 3.63Å; T48-L71 HydrophobicContact CG2-CD2 3.93Å; T48-L71 WeakPolarHBondContact OG1-CD2 3.21Å
49L83.3Confident81.3Confident18 Ų1870.8 Ų70.89%0.09437%0.37CS..Hα-helixtrans-65.6-39.9172.7-75.2174.5000111.2V45 E47 A52 E53 M68 R86 L87 A90V45-L49 HydrophobicContact CG1-CD1 3.74Å; V45-L49 HydrophobicContact CG1-CG 4.12Å; V45-L49 VanDerWaalsContact O-CB 3.26Å; V45-L49 WeakPolarHBondContact O-CB 3.48Å; V45-L49 WeakPolarHBondContact O-CG 2.93Å; V45-L49 PolarHBondContact O-N 3.45Å; E47-L49 PolarHBondContact O-N 2.84Å; L49-A52 PolarHBondContact O-N 3.36Å; L49-E53 WeakPolarHBondContact O-CB 3.26Å; L49-E53 VanDerWaalsContact O-CG 3.3Å; L49-E53 WeakPolarHBondContact O-CG 3.43Å; L49-E53 PolarHBondContact O-N 3.5Å; L49-M68 HydrophobicContact CD2-SD 4.1Å; L49-R86 HydrophobicContact CD1-CB 4.45Å; L49-L87 HydrophobicContact CD2-CD2 4.2Å; L49-L87 HydrophobicContact CG-CD2 4.5Å; L49-A90 HydrophobicContact CD2-CB 3.44Å; L49-A90 VanDerWaalsContact CD2-CB 3.44Å
50K85Confident81.8Confident145 Ų14571.8 Ų71.863%0.6337%0.368SS*.Hα-helixtrans-64.4-43.6174.1-73.3171.2-175.8173.10112D46 E47 A52 E53 Q54D46-K50 VanDerWaalsContact O-CG 3.31Å; D46-K50 WeakPolarHBondContact O-CG 3.49Å; D46-K50 PolarHBondContact O-N 3.46Å; E47-K50 PolarHBondContact O-N 3.39Å; K50-A52 VanDerWaalsContact C-N 3.35Å; K50-E53 PolarHBondContact O-N 2.87Å; K50-Q54 PolarHBondContact O-N 3.38Å
51E84.4Confident82.2Confident103 Ų10369.8 Ų69.848%0.48135%0.353SS..Hα-helixtrans-62.7-43.4175.6-171.3177-176.900111.1E47 T48 Q54 L55 L67E47-E51 PolarHBondContact O-N 2.88Å; T48-E51 PolarHBondContact O-N 3.3Å; E51-Q54 PolarHBondContact O-N 3.41Å; E51-L55 HydrophobicContact CG-CD1 4.36Å; E51-L55 WeakPolarHBondContact O-CG 3.3Å; E51-L55 PolarHBondContact O-N 2.8Å; E51-L67 HydrophobicContact CG-CD1 4.18Å
52A82.3Confident82.7Confident0 Ų074.5 Ų74.50%037%0.374CS..Hα-helixtrans-63.2-42.1175.900000112.3T48 L49 K50 Q54 L55 Q56 A64 M68T48-A52 WeakPolarHBondContact O-CB 3.37Å; T48-A52 PolarHBondContact O-N 2.86Å; L49-A52 PolarHBondContact O-N 3.36Å; K50-A52 VanDerWaalsContact C-N 3.35Å; A52-Q54 VanDerWaalsContact C-N 3.31Å; A52-Q54 PolarHBondContact O-N 2.93Å; A52-L55 PolarHBondContact O-N 3.39Å; A52-Q56 WeakPolarHBondContact O-CB 3.29Å; A52-Q56 WeakPolarHBondContact O-CG 3.35Å; A52-Q56 PolarHBondContact O-N 2.89Å; A52-A64 HydrophobicContact CB-CB 4Å; A52-M68 HydrophobicContact CB-CE 4.27Å; A52-M68 HydrophobicContact CB-CG 3.87Å; A52-M68 HydrophobicContact CB-SD 3.86Å
53E83.5Confident83Confident106 Ų10677.5 Ų77.550%0.49539%0.385SS..Hα-helixtrans-62.5-37.8174.3-78.6176.7-16800112L49 K50 K57L49-E53 WeakPolarHBondContact O-CB 3.26Å; L49-E53 VanDerWaalsContact O-CG 3.3Å; L49-E53 WeakPolarHBondContact O-CG 3.43Å; L49-E53 PolarHBondContact O-N 3.5Å; K50-E53 PolarHBondContact O-N 2.87Å; E53-K57 WeakPolarHBondContact O-CG 3.27Å; E53-K57 PolarHBondContact O-N 2.8Å; E53-K57 VanDerWaalsContact O-N 3.13Å
54Q83.3Confident83.3Confident118 Ų11873.6 Ų73.655%0.55136%0.358SS*.Hα-helixtrans-67.6-46175.8-172.9171.6-13.400111.2K50 E51 A52 Q56 K57 E58K50-Q54 PolarHBondContact O-N 3.38Å; E51-Q54 PolarHBondContact O-N 3.41Å; A52-Q54 VanDerWaalsContact C-N 3.31Å; A52-Q54 PolarHBondContact O-N 2.93Å; Q54-Q56 VanDerWaalsContact C-N 3.3Å; Q54-Q56 PolarHBondContact O-N 3.11Å; Q54-K57 WeakPolarHBondContact O-CB 3.32Å; Q54-K57 PolarHBondContact O-N 2.85Å; Q54-K57 VanDerWaalsContact O-N 3.14Å; Q54-E58 WeakPolarHBondContact O-CG 3.42Å; Q54-E58 PolarHBondContact O-N 3.43Å
55L82.5Confident83.6Confident26 Ų2672.2 Ų72.214%0.13635%0.348CS..Hα-helixtrans-62.2-35.9175.8-72.3171.8000112.6E51 A52 E58 G59 K60 A64 L67E51-L55 HydrophobicContact CG-CD1 4.36Å; E51-L55 WeakPolarHBondContact O-CG 3.3Å; E51-L55 PolarHBondContact O-N 2.8Å; A52-L55 PolarHBondContact O-N 3.39Å; L55-E58 PolarHBondContact O-N 3.21Å; L55-G59 PolarHBondContact O-N 2.87Å; L55-K60 CarbonylContact O-C 3.54Å; L55-K60 PolarHBondContact O-N 2.83Å; L55-A64 HydrophobicContact CB-CB 3.96Å; L55-A64 HydrophobicContact CD1-CB 4.47Å; L55-L67 HydrophobicContact CD1-CD1 4.47Å
56Q80.6Confident84Confident51 Ų5178.3 Ų78.324%0.23838%0.376CS..Hα-helixtrans-63.3-42173.3-76.5170.53500111.8A52 Q54 E58 G59 W61 A64 A94A52-Q56 WeakPolarHBondContact O-CB 3.29Å; A52-Q56 WeakPolarHBondContact O-CG 3.35Å; A52-Q56 PolarHBondContact O-N 2.89Å; Q54-Q56 VanDerWaalsContact C-N 3.3Å; Q54-Q56 PolarHBondContact O-N 3.11Å; Q56-E58 VanDerWaalsContact C-N 3.28Å; Q56-E58 PolarHBondContact O-N 3.45Å; Q56-G59 PolarHBondContact O-N 2.86Å; Q56-G59 VanDerWaalsContact O-N 3.07Å; Q56-W61 HydrophobicContact CG-CB 4.42Å; Q56-A64 HydrophobicContact CG-CB 4.08Å; Q56-A94 HydrophobicContact CG-CB 4.31Å
57K81.7Confident84.2Confident178 Ų17877.5 Ų77.577%0.77437%0.372SS*.Hα-helixtrans-65.9-31175.3-71.7171.3-175.4169.50112.7E53 Q54 G59E53-K57 WeakPolarHBondContact O-CG 3.27Å; E53-K57 PolarHBondContact O-N 2.8Å; E53-K57 VanDerWaalsContact O-N 3.13Å; Q54-K57 WeakPolarHBondContact O-CB 3.32Å; Q54-K57 PolarHBondContact O-N 2.85Å; Q54-K57 VanDerWaalsContact O-N 3.14Å; K57-G59 PolarHBondContact O-N 2.91Å
58E83.5Confident84.4Confident106 Ų10671.1 Ų71.150%0.49534%0.342SS..THydrogen-bonded Turntrans-76.5-2.4173.6-68.3177.7-163.600113.4Q54 L55 Q56 K60Q54-E58 WeakPolarHBondContact O-CG 3.42Å; Q54-E58 PolarHBondContact O-N 3.43Å; L55-E58 PolarHBondContact O-N 3.21Å; Q56-E58 VanDerWaalsContact C-N 3.28Å; Q56-E58 PolarHBondContact O-N 3.45Å; E58-K60 VanDerWaalsContact C-N 3.28Å; E58-K60 PolarHBondContact O-N 3.09Å
59G80.1Confident84.7Confident52 Ų5271.8 Ų71.854%0.53635%0.346SS..THydrogen-bonded Turntrans80.40.5-178.400000114.6L55 Q56 K57 W61L55-G59 PolarHBondContact O-N 2.87Å; Q56-G59 PolarHBondContact O-N 2.86Å; Q56-G59 VanDerWaalsContact O-N 3.07Å; K57-G59 PolarHBondContact O-N 2.91Å; G59-W61 VanDerWaalsContact C-N 3.27Å; G59-W61 PolarHBondContact O-N 3.01Å
60K86.2Confident85Confident101 Ų10175.5 Ų75.544%0.43937%0.366SS..  trans-91.452.9178.5-64.4177.1-174.8162.20111.5L55 E58 E62 Q63 A64L55-K60 CarbonylContact O-C 3.54Å; L55-K60 PolarHBondContact O-N 2.83Å; E58-K60 VanDerWaalsContact C-N 3.28Å; E58-K60 PolarHBondContact O-N 3.09Å; K60-E62 VanDerWaalsContact C-N 3.29Å; K60-E62 PolarHBondContact O-N 2.85Å; K60-Q63 PolarHBondContact O-N 2.89Å; K60-A64 PolarHBondContact O-N 3.45Å
61W84.4Confident85Confident51 Ų5169.1 Ų69.119%0.19334%0.339CS..Hα-helixtrans-64.6-30.7-175.563.3-92000113Q56 G59 Q63 A64 V65 A98 D100 A103Q56-W61 HydrophobicContact CG-CB 4.42Å; G59-W61 VanDerWaalsContact C-N 3.27Å; G59-W61 PolarHBondContact O-N 3.01Å; W61-Q63 PolarHBondContact O-N 3.12Å; W61-A64 WeakPolarHBondContact O-CB 3.46Å; W61-A64 PolarHBondContact O-N 3.15Å; W61-V65 HydrophobicContact CE3-CG2 4.26Å; W61-V65 WeakPolarHBondContact O-CG2 3.37Å; W61-V65 PolarHBondContact O-N 2.97Å; W61-A98 HydrophobicContact CB-CB 4.3Å; W61-A98 HydrophobicContact CD2-CB 3.51Å; W61-A98 HydrophobicContact CE3-CB 4.11Å; W61-A98 HydrophobicContact CG-CB 3.58Å; W61-A98 HydrophobicContact CZ2-CB 4.25Å; W61-D100 HydrophobicContact CH2-CB 4.06Å; W61-D100 HydrophobicContact CZ2-CB 4.12Å; W61-A103 HydrophobicContact CH2-CB 3.67Å; W61-A103 HydrophobicContact CZ3-CB 3.98Å
62E86.5Confident85.2Confident133 Ų13364.3 Ų64.362%0.62132%0.316SS*.Hα-helixtrans-60.3-43.5176.3-66.2-179.4169.800112.2K60 A64 V65 E66K60-E62 VanDerWaalsContact C-N 3.29Å; K60-E62 PolarHBondContact O-N 2.85Å; E62-A64 VanDerWaalsContact C-N 3.32Å; E62-A64 PolarHBondContact O-N 3.31Å; E62-V65 PolarHBondContact O-N 3.17Å; E62-E66 PolarHBondContact O-N 3.44Å
63Q86.2Confident85.4Confident105 Ų10570.3 Ų70.349%0.49134%0.342SS..Hα-helixtrans-66.8-37.7177.6-64.7-179.612.400110.9K60 W61 V65 E66 L67K60-Q63 PolarHBondContact O-N 2.89Å; W61-Q63 PolarHBondContact O-N 3.12Å; Q63-V65 VanDerWaalsContact C-N 3.34Å; Q63-E66 PolarHBondContact O-N 2.87Å; Q63-L67 WeakPolarHBondContact O-CB 3.22Å; Q63-L67 PolarHBondContact O-N 3.26Å
64A85.2Confident85.6Confident0 Ų071.1 Ų71.10%034%0.344CS..Hα-helixtrans-61.6-43.1173.600000111.4A52 L55 Q56 K60 W61 E62 L67 M68A52-A64 HydrophobicContact CB-CB 4Å; L55-A64 HydrophobicContact CB-CB 3.96Å; L55-A64 HydrophobicContact CD1-CB 4.47Å; Q56-A64 HydrophobicContact CG-CB 4.08Å; K60-A64 PolarHBondContact O-N 3.45Å; W61-A64 WeakPolarHBondContact O-CB 3.46Å; W61-A64 PolarHBondContact O-N 3.15Å; E62-A64 VanDerWaalsContact C-N 3.32Å; E62-A64 PolarHBondContact O-N 3.31Å; A64-L67 PolarHBondContact O-N 3.16Å; A64-M68 HydrophobicContact CB-CE 4.41Å; A64-M68 WeakPolarHBondContact O-CB 3.23Å; A64-M68 WeakPolarHBondContact O-CE 3.46Å; A64-M68 VanDerWaalsContact O-CG 3.3Å; A64-M68 WeakPolarHBondContact O-CG 3.4Å; A64-M68 PolarHBondContact O-N 2.97Å
65V87.2Confident85.6Confident10 Ų1065.5 Ų65.56%0.06132%0.318CS..Hα-helixtrans-64.7-42.1177.3169.90000111.5W61 E62 Q63 M68 T69 I91 A94W61-V65 HydrophobicContact CE3-CG2 4.26Å; W61-V65 WeakPolarHBondContact O-CG2 3.37Å; W61-V65 PolarHBondContact O-N 2.97Å; E62-V65 PolarHBondContact O-N 3.17Å; Q63-V65 VanDerWaalsContact C-N 3.34Å; V65-M68 HydrophobicContact CG2-CE 4.29Å; V65-M68 PolarHBondContact O-N 3.2Å; V65-T69 VanDerWaalsContact O-CB 3.27Å; V65-T69 WeakPolarHBondContact O-CB 3.48Å; V65-T69 PolarHBondContact O-N 2.97Å; V65-T69 PolarHBondContact O-OG1 2.82Å; V65-I91 HydrophobicContact CG1-CG2 4.06Å; V65-A94 HydrophobicContact CG2-CB 4.1Å
66E89Confident85.6Confident128 Ų12864.9 Ų64.960%0.59831%0.314SS*.Hα-helixtrans-63.5-44.7176.9-171.3177.2-175.400111.8E62 Q63 T69 N70E62-E66 PolarHBondContact O-N 3.44Å; Q63-E66 PolarHBondContact O-N 2.87Å; E66-T69 PolarHBondContact O-N 2.83Å; E66-N70 PolarHBondContact O-N 3.25Å; E66-N70 PolarHBondContact O-ND2 2.84Å
67L88Confident85.8Confident41 Ų4168.4 Ų68.422%0.21533%0.33CS..Hα-helixtrans-59.7-49176.7-171.2156000111.2T48 E51 L55 Q63 A64 T69 N70 L71T48-L67 VanDerWaalsContact CB-CD2 3.49Å; T48-L67 HydrophobicContact CG2-CD2 3.63Å; E51-L67 HydrophobicContact CG-CD1 4.18Å; L55-L67 HydrophobicContact CD1-CD1 4.47Å; Q63-L67 WeakPolarHBondContact O-CB 3.22Å; Q63-L67 PolarHBondContact O-N 3.26Å; A64-L67 PolarHBondContact O-N 3.16Å; L67-T69 PolarHBondContact O-N 2.81Å; L67-N70 PolarHBondContact O-N 3.49Å; L67-L71 PolarHBondContact O-N 2.93Å
68M88.1Confident85.9Confident1 Ų161 Ų611%0.00530%0.3CS..Hα-helixtrans-63.6-39.5176.7-70.4-175.3-69.900112.1L49 A52 A64 V65 N70 L71 E72 L87 A90 I91 A94L49-M68 HydrophobicContact CD2-SD 4.1Å; A52-M68 HydrophobicContact CB-CE 4.27Å; A52-M68 HydrophobicContact CB-CG 3.87Å; A52-M68 HydrophobicContact CB-SD 3.86Å; A64-M68 HydrophobicContact CB-CE 4.41Å; A64-M68 WeakPolarHBondContact O-CB 3.23Å; A64-M68 WeakPolarHBondContact O-CE 3.46Å; A64-M68 VanDerWaalsContact O-CG 3.3Å; A64-M68 WeakPolarHBondContact O-CG 3.4Å; A64-M68 PolarHBondContact O-N 2.97Å; V65-M68 HydrophobicContact CG2-CE 4.29Å; V65-M68 PolarHBondContact O-N 3.2Å; M68-N70 VanDerWaalsContact C-N 3.34Å; M68-N70 PolarHBondContact O-N 2.88Å; M68-L71 PolarHBondContact O-N 2.81Å; M68-E72 VanDerWaalsContact O-CB 3.25Å; M68-E72 WeakPolarHBondContact O-CB 3.26Å; M68-E72 PolarHBondContact O-N 2.89Å; M68-L87 HydrophobicContact CB-CD2 4.26Å; M68-L87 HydrophobicContact CG-CD2 4.29Å; M68-A90 HydrophobicContact SD-CB 3.63Å; M68-I91 HydrophobicContact CB-CD1 3.99Å; M68-I91 HydrophobicContact CB-CG1 3.53Å; M68-I91 HydrophobicContact CE-CG1 4.08Å; M68-I91 HydrophobicContact CG-CG1 4.49Å; M68-I91 HydrophobicContact SD-CG1 4.25Å; M68-A94 HydrophobicContact CE-CB 3.89Å
69T88.4Confident85.7Confident34 Ų3456 Ų5621%0.20928%0.277CS..Hα-helixtrans-64.8-36.9179.1-60.60000112.1V65 E66 L67 E72 K73V65-T69 VanDerWaalsContact O-CB 3.27Å; V65-T69 WeakPolarHBondContact O-CB 3.48Å; V65-T69 PolarHBondContact O-N 2.97Å; V65-T69 PolarHBondContact O-OG1 2.82Å; E66-T69 PolarHBondContact O-N 2.83Å; L67-T69 PolarHBondContact O-N 2.81Å; T69-E72 PolarHBondContact O-N 3.14Å; T69-K73 PolarHBondContact O-N 3.36Å; T69-K73 VanDerWaalsContact O-N 3.1Å
70N88.1Confident85.9Confident96 Ų9653.7 Ų53.751%0.51325%0.252SS..Hα-helixtrans-65.6-39.3176-76.5-34000112.2E66 L67 M68E66-N70 PolarHBondContact O-N 3.25Å; E66-N70 PolarHBondContact O-ND2 2.84Å; L67-N70 PolarHBondContact O-N 3.49Å; M68-N70 VanDerWaalsContact C-N 3.34Å; M68-N70 PolarHBondContact O-N 2.88Å
71L86.5Confident85.6Confident11 Ų1149.7 Ų49.76%0.05824%0.235CC..Hα-helixtrans-75.6-34.6175.6-163.969.6000112.3V45 T48 L67 M68 K73 K74 T75 L87V45-L71 HydrophobicContact CB-CD2 4.18Å; V45-L71 HydrophobicContact CG2-CD2 3.66Å; V45-L71 HydrophobicContact CG2-CG 4.4Å; T48-L71 HydrophobicContact CG2-CD2 3.93Å; T48-L71 WeakPolarHBondContact OG1-CD2 3.21Å; L67-L71 PolarHBondContact O-N 2.93Å; M68-L71 PolarHBondContact O-N 2.81Å; L71-K73 PolarHBondContact O-N 3.15Å; L71-K74 HydrophobicContact CD1-CD 4.24Å; L71-K74 WeakPolarHBondContact O-CB 3.33Å; L71-K74 PolarHBondContact O-N 3.18Å; L71-T75 HydrophobicContact CG-CG2 4.47Å; L71-T75 PolarHBondContact O-N 3.24Å; L71-T75 PolarHBondContact O-OG1 2.96Å; L71-L87 HydrophobicContact CB-CD1 4.05Å; L71-L87 HydrophobicContact CD2-CD1 4.02Å; L71-L87 HydrophobicContact CD2-CD2 4.25Å; L71-L87 HydrophobicContact CG-CD1 3.95Å
72E88.2Confident85.6Confident3 Ų352.9 Ų52.91%0.01425%0.25CS..Hα-helixtrans-57.6-41.2174.9-172.8-72.7153.800110.2M68 T69 K74 T75 R76 N84 L87 Q88 I91 L111M68-E72 VanDerWaalsContact O-CB 3.25Å; M68-E72 WeakPolarHBondContact O-CB 3.26Å; M68-E72 PolarHBondContact O-N 2.89Å; T69-E72 PolarHBondContact O-N 3.14Å; E72-K74 VanDerWaalsContact C-N 3.33Å; E72-K74 PolarHBondContact O-N 2.88Å; E72-T75 WeakPolarHBondContact CA-OG1 2.97Å; E72-T75 PolarHBondContact O-N 3.32Å; E72-T75 PolarHBondContact O-OG1 3.49Å; E72-R76 VanDerWaalsContact O-CB 3.3Å; E72-R76 WeakPolarHBondContact O-CB 3.45Å; E72-R76 PolarHBondContact O-N 3.37Å; E72-R76 IonicContact OE1-CZ 2.62Å; E72-R76 IonicContact OE1-NE 2.73Å; E72-R76 PolarHBondContact OE1-NE 3.38Å; E72-R76 IonicContact OE1-NH1 3.17Å; E72-R76 IonicContact OE1-NH2 3.64Å; E72-R76 PolarHBondContact OE1-NH2 3.15Å; E72-R76 IonicContact OE2-CZ 2.66Å; E72-R76 IonicContact OE2-NE 3.76Å; E72-R76 IonicContact OE2-NH2 3.75Å; E72-R76 PolarHBondContact OE2-NH2 3.35Å; E72-N84 PolarHBondContact O-ND2 3.01Å; E72-N84 PolarHBondContact OE1-ND2 3.45Å; E72-L87 HydrophobicContact CB-CB 4.22Å; E72-L87 HydrophobicContact CB-CD1 4.27Å; E72-L87 HydrophobicContact CG-CB 4.39Å; E72-Q88 HydrophobicContact CG-CG 3.96Å; E72-Q88 PolarHBondContact OE1-NE2 2.88Å; E72-I91 HydrophobicContact CB-CD1 4.25Å; E72-I91 HydrophobicContact CG-CD1 4.39Å; E72-L111 HydrophobicContact CG-CD2 4.09Å
73K86.9Confident85.6Confident125 Ų12546.6 Ų46.654%0.54322%0.221SC..Hα-helixtrans-60.1-41.1174.1-174.9-178.6176.7-174.70112.6T69 L71 Q77T69-K73 PolarHBondContact O-N 3.36Å; T69-K73 VanDerWaalsContact O-N 3.1Å; L71-K73 PolarHBondContact O-N 3.15Å; K73-Q77 WeakPolarHBondContact O-CG 3.38Å; K73-Q77 PolarHBondContact O-N 2.77Å
74K86.1Confident85.6Confident123 Ų12341.6 Ų41.654%0.53520%0.198SC..Hα-helixtrans-69.4-48.6179.5-67.9178.8-179175.30111.4L41 L71 E72 R76 Q77 V78L41-K74 HydrophobicContact CD1-CB 4.34Å; L71-K74 HydrophobicContact CD1-CD 4.24Å; L71-K74 WeakPolarHBondContact O-CB 3.33Å; L71-K74 PolarHBondContact O-N 3.18Å; E72-K74 VanDerWaalsContact C-N 3.33Å; E72-K74 PolarHBondContact O-N 2.88Å; K74-R76 PolarHBondContact O-N 3.03Å; K74-Q77 PolarHBondContact O-N 3.26Å; K74-Q77 VanDerWaalsContact O-N 3.13Å; K74-V78 WeakPolarHBondContact O-CG2 3.28Å; K74-V78 PolarHBondContact O-N 3.03Å
75T84.1Confident85.7Confident0 Ų042.5 Ų42.50%020%0.203CC..Hα-helixtrans-59.6-36.9178.653.10000112.1L41 V45 L71 E72 V78 A79 D80 N84 L87L41-T75 HydrophobicContact CB-CG2 4.14Å; L41-T75 HydrophobicContact CD1-CG2 3.94Å; V45-T75 HydrophobicContact CG2-CG2 3.99Å; L71-T75 HydrophobicContact CG-CG2 4.47Å; L71-T75 PolarHBondContact O-N 3.24Å; L71-T75 PolarHBondContact O-OG1 2.96Å; E72-T75 WeakPolarHBondContact CA-OG1 2.97Å; E72-T75 PolarHBondContact O-N 3.32Å; E72-T75 PolarHBondContact O-OG1 3.49Å; T75-V78 PolarHBondContact O-N 3.4Å; T75-A79 PolarHBondContact O-N 3.38Å; T75-A79 VanDerWaalsContact O-N 3.17Å; T75-D80 PolarHBondContact O-N 3.23Å; T75-N84 PolarHBondContact OG1-ND2 3.23Å; T75-L87 HydrophobicContact CG2-CD1 3.79Å
76R83.6Confident85.8Confident13 Ų1346.9 Ų46.95%0.04922%0.219CC..Hα-helixtrans-64.6-41.4175-167.2-158-49-116.87.8113.7Y29 E72 K74 V78 A79 R115 S116Y29-R76 PolarHBondContact OH-O 2.92Å; E72-R76 VanDerWaalsContact O-CB 3.3Å; E72-R76 WeakPolarHBondContact O-CB 3.45Å; E72-R76 PolarHBondContact O-N 3.37Å; E72-R76 IonicContact OE1-CZ 2.62Å; E72-R76 IonicContact OE1-NE 2.73Å; E72-R76 PolarHBondContact OE1-NE 3.38Å; E72-R76 IonicContact OE1-NH1 3.17Å; E72-R76 IonicContact OE1-NH2 3.64Å; E72-R76 PolarHBondContact OE1-NH2 3.15Å; E72-R76 IonicContact OE2-CZ 2.66Å; E72-R76 IonicContact OE2-NE 3.76Å; E72-R76 IonicContact OE2-NH2 3.75Å; E72-R76 PolarHBondContact OE2-NH2 3.35Å; K74-R76 PolarHBondContact O-N 3.03Å; R76-V78 VanDerWaalsContact C-N 3.26Å; R76-V78 PolarHBondContact O-N 2.87Å; R76-A79 PolarHBondContact O-N 3.49Å; R76-R115 VanDerWaalsContact CD-O 3.22Å; R76-R115 WeakPolarHBondContact CD-O 3.44Å; R76-S116 VanDerWaalsContact CD-O 3.24Å; R76-S116 WeakPolarHBondContact CD-O 3.32Å; R76-S116 WeakPolarHBondContact CG-O 3.26Å
77Q83.7Confident85.8Confident125 Ų12540.8 Ų40.858%0.58419%0.19SC*.Hα-helixtrans-66.6-31.6179.3-75.6176.6-17.600112.2K73 K74K73-Q77 WeakPolarHBondContact O-CG 3.38Å; K73-Q77 PolarHBondContact O-N 2.77Å; K74-Q77 PolarHBondContact O-N 3.26Å; K74-Q77 VanDerWaalsContact O-N 3.13Å
78V83.3Confident85.9Confident23 Ų2339 Ų3914%0.13918%0.181CC..THydrogen-bonded Turntrans-91.1-2.3-177.1176.40000112.3E38 V39 L41 K74 T75 R76 D80E38-V78 HydrophobicContact CB-CG1 4.15Å; E38-V78 PolarHBondContact N-O 2.92Å; V39-V78 HydrophobicContact CB-CG1 3.51Å; V39-V78 HydrophobicContact CG2-CG1 4.13Å; V39-V78 WeakPolarHBondContact O-CG1 3.32Å; L41-V78 HydrophobicContact CD1-CB 4.45Å; L41-V78 HydrophobicContact CD1-CG2 4.29Å; K74-V78 WeakPolarHBondContact O-CG2 3.28Å; K74-V78 PolarHBondContact O-N 3.03Å; T75-V78 PolarHBondContact O-N 3.4Å; R76-V78 VanDerWaalsContact C-N 3.26Å; R76-V78 PolarHBondContact O-N 2.87Å; V78-D80 PolarHBondContact O-N 3.48Å
79A80.3Confident86Confident1 Ų140.6 Ų40.61%0.00819%0.19CC..THydrogen-bonded Turntrans59.828.3-176.700000114A27 Y29 M35 T75 R76 M81A27-A79 HydrophobicContact CB-CB 4Å; A27-A79 WeakPolarHBondContact CB-O 3.26Å; Y29-A79 HydrophobicContact CE2-CB 4.37Å; Y29-A79 WeakPolarHBondContact OH-CB 3.44Å; M35-A79 HydrophobicContact CB-CB 3.98Å; M35-A79 HydrophobicContact CG-CB 3.92Å; M35-A79 HydrophobicContact SD-CB 4.34Å; T75-A79 PolarHBondContact O-N 3.38Å; T75-A79 VanDerWaalsContact O-N 3.17Å; R76-A79 PolarHBondContact O-N 3.49Å; A79-M81 PolarHBondContact O-N 3.29Å; A79-M81 VanDerWaalsContact O-N 3.08Å
80D82.8Confident86Confident3 Ų339.9 Ų39.92%0.01619%0.188CC..  trans-79.690.8172.8-177.7-8.4000109.7M37 L41 T75 V78 K82 S83 N84M37-D80 HydrophobicContact CG-CB 4.26Å; M37-D80 HydrophobicContact SD-CB 4.28Å; L41-D80 PolarHBondContact N-OD2 2.77Å; T75-D80 PolarHBondContact O-N 3.23Å; V78-D80 PolarHBondContact O-N 3.48Å; D80-K82 PolarHBondContact OD1-N 3.27Å; D80-S83 VanDerWaalsContact CG-OG 3.26Å; D80-S83 WeakPolarHBondContact OD1-CB 3.35Å; D80-S83 PolarHBondContact OD1-N 3.41Å; D80-S83 VanDerWaalsContact OD1-N 3.13Å; D80-S83 PolarHBondContact OD1-OG 2.93Å; D80-S83 WeakPolarHBondContact OD2-CB 3.03Å; D80-S83 PolarHBondContact OD2-OG 3.46Å; D80-N84 WeakPolarHBondContact O-CB 3.47Å; D80-N84 PolarHBondContact O-N 3.47Å
81M80.8Confident86Confident18 Ų1835.3 Ų35.39%0.08916%0.163CC..Hα-helixtrans-62.9-43.1-177177.317376.200113.4A27 A79 T85 I118 Q120A27-M81 HydrophobicContact CB-CB 4.08Å; A79-M81 PolarHBondContact O-N 3.29Å; A79-M81 VanDerWaalsContact O-N 3.08Å; M81-T85 WeakPolarHBondContact O-CB 3.25Å; M81-T85 PolarHBondContact O-N 3.12Å; M81-T85 PolarHBondContact O-OG1 3.45Å; M81-I118 HydrophobicContact CB-CG2 4.13Å; M81-I118 HydrophobicContact CG-CG2 3.75Å; M81-I118 HydrophobicContact SD-CG2 4.31Å; M81-Q120 HydrophobicContact CG-CB 4.09Å; M81-Q120 HydrophobicContact SD-CB 3.79Å; M81-Q120 HydrophobicContact SD-CG 4.45Å; M81-Q120 PolarHBondContact SD-OE1 3.47Å
82K85.1Confident86.1Confident117 Ų11734.8 Ų34.851%0.50916%0.161SC..Hα-helixtrans-66.4-49.6-175.5-76178.2176.6163.30110.7S24 D80 T85 R86S24-K82 PolarHBondContact OG-NZ 3.17Å; D80-K82 PolarHBondContact OD1-N 3.27Å; K82-T85 PolarHBondContact O-N 3.05Å; K82-R86 WeakPolarHBondContact O-CG 3.45Å; K82-R86 PolarHBondContact O-N 3.33Å; K82-R86 VanDerWaalsContact O-N 3.12Å
83S85.1Confident86.1Confident1 Ų136.4 Ų36.41%0.00717%0.171CC..Hα-helixtrans-65.4-42.3178.6-65.30000111.9D80 T85 R86 L87D80-S83 VanDerWaalsContact CG-OG 3.26Å; D80-S83 WeakPolarHBondContact OD1-CB 3.35Å; D80-S83 PolarHBondContact OD1-N 3.41Å; D80-S83 VanDerWaalsContact OD1-N 3.13Å; D80-S83 PolarHBondContact OD1-OG 2.93Å; D80-S83 WeakPolarHBondContact OD2-CB 3.03Å; D80-S83 PolarHBondContact OD2-OG 3.46Å; S83-T85 VanDerWaalsContact C-N 3.33Å; S83-T85 PolarHBondContact O-N 2.85Å; S83-R86 PolarHBondContact O-N 3.23Å; S83-L87 WeakPolarHBondContact O-CG 3.25Å; S83-L87 PolarHBondContact O-N 2.91Å
84N87.4Confident86.1Confident0 Ų030.5 Ų30.50%015%0.146CC..Hα-helixtrans-63.4-39.7178.2-173.4-101.2000111.9E72 T75 D80 L87 Q88 I118 S121E72-N84 PolarHBondContact O-ND2 3.01Å; E72-N84 PolarHBondContact OE1-ND2 3.45Å; T75-N84 PolarHBondContact OG1-ND2 3.23Å; D80-N84 WeakPolarHBondContact O-CB 3.47Å; D80-N84 PolarHBondContact O-N 3.47Å; N84-L87 PolarHBondContact O-N 3.1Å; N84-Q88 WeakPolarHBondContact O-CG 3.42Å; N84-Q88 PolarHBondContact O-N 3.13Å; N84-Q88 PolarHBondContact OD1-NE2 3.3Å; N84-I118 HydrophobicContact CB-CD1 3.86Å; N84-S121 VanDerWaalsContact OD1-CB 3.22Å; N84-S121 WeakPolarHBondContact OD1-CB 3.36Å; N84-S121 PolarHBondContact OD1-OG 3.29Å
85T87.6Confident86Confident19 Ų1924.7 Ų24.712%0.11712%0.12CC..Hα-helixtrans-59.9-49.1174.6-57.90000110.9M81 K82 S83 L87 Q88 V89 S121 E124M81-T85 WeakPolarHBondContact O-CB 3.25Å; M81-T85 PolarHBondContact O-N 3.12Å; M81-T85 PolarHBondContact O-OG1 3.45Å; K82-T85 PolarHBondContact O-N 3.05Å; S83-T85 VanDerWaalsContact C-N 3.33Å; S83-T85 PolarHBondContact O-N 2.85Å; T85-L87 VanDerWaalsContact C-N 3.34Å; T85-L87 PolarHBondContact O-N 3.47Å; T85-Q88 PolarHBondContact O-N 3.06Å; T85-V89 HydrophobicContact CG2-CG2 4.47Å; T85-V89 VanDerWaalsContact O-CG2 3.3Å; T85-V89 WeakPolarHBondContact O-CG2 3.43Å; T85-V89 PolarHBondContact O-N 3.21Å; T85-S121 PolarHBondContact N-OG 2.97Å; T85-S121 WeakPolarHBondContact OG1-CA 3.4Å; T85-S121 PolarHBondContact OG1-OG 3.49Å; T85-S121 VanDerWaalsContact OG1-OG 3.13Å; T85-E124 HydrophobicContact CG2-CB 3.65Å; T85-E124 HydrophobicContact CG2-CG 3.84Å
86R89.5Confident86.1Confident103 Ų10326.6 Ų26.639%0.38913%0.129SC..Hα-helixtrans-60.1-42.5179-70.2175.867.3-163.3-2.4112.3D46 L49 K82 S83 A90D46-R86 IonicContact OD1-CZ 2.78Å; D46-R86 IonicContact OD1-NH1 3.99Å; D46-R86 PolarHBondContact OD1-NH1 3.27Å; D46-R86 IonicContact OD1-NH2 3.38Å; D46-R86 PolarHBondContact OD1-NH2 3.08Å; L49-R86 HydrophobicContact CD1-CB 4.45Å; K82-R86 WeakPolarHBondContact O-CG 3.45Å; K82-R86 PolarHBondContact O-N 3.33Å; K82-R86 VanDerWaalsContact O-N 3.12Å; S83-R86 PolarHBondContact O-N 3.23Å; R86-A90 VanDerWaalsContact O-CB 3.22Å; R86-A90 WeakPolarHBondContact O-CB 3.47Å; R86-A90 PolarHBondContact O-N 3.4Å
87L88.7Confident86.1Confident0 Ų031.1 Ų31.10%015%0.154CC..Hα-helixtrans-65.6-44.4178.1-73.9169.4000112.5V45 L49 M68 L71 E72 T75 S83 N84 T85 A90 I91V45-L87 HydrophobicContact CG1-CD1 4.38Å; V45-L87 HydrophobicContact CG1-CD2 4.09Å; V45-L87 HydrophobicContact CG1-CG 3.93Å; V45-L87 HydrophobicContact CG2-CD1 4.14Å; L49-L87 HydrophobicContact CD2-CD2 4.2Å; L49-L87 HydrophobicContact CG-CD2 4.5Å; M68-L87 HydrophobicContact CB-CD2 4.26Å; M68-L87 HydrophobicContact CG-CD2 4.29Å; L71-L87 HydrophobicContact CB-CD1 4.05Å; L71-L87 HydrophobicContact CD2-CD1 4.02Å; L71-L87 HydrophobicContact CD2-CD2 4.25Å; L71-L87 HydrophobicContact CG-CD1 3.95Å; E72-L87 HydrophobicContact CB-CB 4.22Å; E72-L87 HydrophobicContact CB-CD1 4.27Å; E72-L87 HydrophobicContact CG-CB 4.39Å; T75-L87 HydrophobicContact CG2-CD1 3.79Å; S83-L87 WeakPolarHBondContact O-CG 3.25Å; S83-L87 PolarHBondContact O-N 2.91Å; N84-L87 PolarHBondContact O-N 3.1Å; T85-L87 VanDerWaalsContact C-N 3.34Å; T85-L87 PolarHBondContact O-N 3.47Å; L87-A90 PolarHBondContact O-N 3.06Å; L87-I91 WeakPolarHBondContact O-CD1 3.34Å; L87-I91 VanDerWaalsContact O-CG1 3.23Å; L87-I91 WeakPolarHBondContact O-CG1 3.28Å; L87-I91 PolarHBondContact O-N 3.16Å
88Q89.2Confident86.1Confident4 Ų427.2 Ų27.22%0.01914%0.143CC..Hα-helixtrans-63.5-43.8177.9-72.4-175.7-0.900111.7E72 N84 T85 A90 I91 V92 L111 S121 M125E72-Q88 HydrophobicContact CG-CG 3.96Å; E72-Q88 PolarHBondContact OE1-NE2 2.88Å; N84-Q88 WeakPolarHBondContact O-CG 3.42Å; N84-Q88 PolarHBondContact O-N 3.13Å; N84-Q88 PolarHBondContact OD1-NE2 3.3Å; T85-Q88 PolarHBondContact O-N 3.06Å; Q88-A90 VanDerWaalsContact C-N 3.34Å; Q88-A90 PolarHBondContact O-N 3.39Å; Q88-I91 PolarHBondContact O-N 3.04Å; Q88-V92 WeakPolarHBondContact O-CG2 3.43Å; Q88-V92 PolarHBondContact O-N 3.34Å; Q88-V92 VanDerWaalsContact O-N 3.15Å; Q88-L111 HydrophobicContact CG-CD1 4.3Å; Q88-L111 HydrophobicContact CG-CD2 4.34Å; Q88-S121 PolarHBondContact OE1-O 3.4Å; Q88-M125 HydrophobicContact CB-CB 4.34Å; Q88-M125 HydrophobicContact CB-CG 4.43Å; Q88-M125 HydrophobicContact CB-SD 4.48Å
89V89.9Confident86Confident33 Ų3328.9 Ų28.920%0.217%0.165CC..Hα-helixtrans-61.3-43.8174.7171.70000110.7T85 V92 T93 E124 T128T85-V89 HydrophobicContact CG2-CG2 4.47Å; T85-V89 VanDerWaalsContact O-CG2 3.3Å; T85-V89 WeakPolarHBondContact O-CG2 3.43Å; T85-V89 PolarHBondContact O-N 3.21Å; V89-V92 PolarHBondContact O-N 3.05Å; V89-T93 VanDerWaalsContact O-CB 3.29Å; V89-T93 WeakPolarHBondContact O-CB 3.27Å; V89-T93 PolarHBondContact O-N 3.04Å; V89-T93 PolarHBondContact O-OG1 3.15Å; V89-E124 HydrophobicContact CG2-CB 4.44Å; V89-E124 HydrophobicContact CG2-CG 3.96Å; V89-T128 HydrophobicContact CG1-CG2 4.05Å
90A88.1Confident86.2Confident19 Ų1931.6 Ų31.616%0.15718%0.179CC..Hα-helixtrans-65.8-41179.400000113L49 M68 R86 L87 Q88 T93 A94L49-A90 HydrophobicContact CD2-CB 3.44Å; L49-A90 VanDerWaalsContact CD2-CB 3.44Å; M68-A90 HydrophobicContact SD-CB 3.63Å; R86-A90 VanDerWaalsContact O-CB 3.22Å; R86-A90 WeakPolarHBondContact O-CB 3.47Å; R86-A90 PolarHBondContact O-N 3.4Å; L87-A90 PolarHBondContact O-N 3.06Å; Q88-A90 VanDerWaalsContact C-N 3.34Å; Q88-A90 PolarHBondContact O-N 3.39Å; A90-T93 PolarHBondContact O-N 2.93Å; A90-A94 VanDerWaalsContact O-CB 3.29Å; A90-A94 WeakPolarHBondContact O-CB 3.47Å; A90-A94 PolarHBondContact O-N 3.06Å
91I88.9Confident86.3Confident0 Ų032.7 Ų32.70%019%0.185CC..Hα-helixtrans-58.8-50.3175.3-71.2162.5000110.4V65 M68 E72 L87 Q88 T93 A94 C95 N107 L111V65-I91 HydrophobicContact CG1-CG2 4.06Å; M68-I91 HydrophobicContact CB-CD1 3.99Å; M68-I91 HydrophobicContact CB-CG1 3.53Å; M68-I91 HydrophobicContact CE-CG1 4.08Å; M68-I91 HydrophobicContact CG-CG1 4.49Å; M68-I91 HydrophobicContact SD-CG1 4.25Å; E72-I91 HydrophobicContact CB-CD1 4.25Å; E72-I91 HydrophobicContact CG-CD1 4.39Å; L87-I91 WeakPolarHBondContact O-CD1 3.34Å; L87-I91 VanDerWaalsContact O-CG1 3.23Å; L87-I91 WeakPolarHBondContact O-CG1 3.28Å; L87-I91 PolarHBondContact O-N 3.16Å; Q88-I91 PolarHBondContact O-N 3.04Å; I91-T93 PolarHBondContact O-N 3.34Å; I91-A94 WeakPolarHBondContact O-CB 3.45Å; I91-A94 PolarHBondContact O-N 2.98Å; I91-C95 PolarHBondContact O-N 3.45Å; I91-C95 VanDerWaalsContact O-N 3.1Å; I91-C95 PolarHBondContact O-SG 3.37Å; I91-C95 VanDerWaalsContact O-SG 3.38Å; I91-N107 HydrophobicContact CG2-CB 4.26Å; I91-L111 HydrophobicContact CD1-CD2 4.33Å; I91-L111 HydrophobicContact CG2-CD1 4.23Å
92V87.9Confident86.6Confident0 Ų037.4 Ų37.40%021%0.21CC..Hα-helixtrans-66.1-40.3-178.8172.30000111Q88 V89 C95 F96 L104 I108 L111 M125 C129 F132Q88-V92 WeakPolarHBondContact O-CG2 3.43Å; Q88-V92 PolarHBondContact O-N 3.34Å; Q88-V92 VanDerWaalsContact O-N 3.15Å; V89-V92 PolarHBondContact O-N 3.05Å; V92-C95 PolarHBondContact O-N 3.38Å; V92-F96 WeakPolarHBondContact O-CB 3.41Å; V92-F96 PolarHBondContact O-N 2.94Å; V92-L104 HydrophobicContact CB-CD1 3.99Å; V92-L104 HydrophobicContact CG1-CD1 3.38Å; V92-L104 HydrophobicContact CG2-CD1 4.2Å; V92-I108 HydrophobicContact CG2-CG1 4.34Å; V92-L111 HydrophobicContact CG2-CD1 4.49Å; V92-M125 HydrophobicContact CG2-CG 3.75Å; V92-M125 HydrophobicContact CG2-SD 4.2Å; V92-C129 WeakPolarHBondContact CG1-SG 3.44Å; V92-F132 HydrophobicContact CG1-CD2 4.11Å; V92-F132 HydrophobicContact CG1-CE2 3.6Å
93T88.4Confident86.7Confident38 Ų3832.7 Ų32.723%0.23319%0.193CC..Hα-helixtrans-64.8-38.9176.2-53.90000111.8V89 A90 I91 F96 N97 F132V89-T93 VanDerWaalsContact O-CB 3.29Å; V89-T93 WeakPolarHBondContact O-CB 3.27Å; V89-T93 PolarHBondContact O-N 3.04Å; V89-T93 PolarHBondContact O-OG1 3.15Å; A90-T93 PolarHBondContact O-N 2.93Å; I91-T93 PolarHBondContact O-N 3.34Å; T93-F96 PolarHBondContact O-N 3.34Å; T93-N97 WeakPolarHBondContact O-CB 3.38Å; T93-N97 PolarHBondContact O-N 3.47Å; T93-N97 PolarHBondContact O-ND2 3.4Å; T93-F132 HydrophobicContact CG2-CZ 4.19Å
94A86.7Confident86.8Confident1 Ų132.6 Ų32.61%0.00819%0.193CC..Hα-helixtrans-63.1-46.5176.800000111.9Q56 V65 M68 A90 I91 F96 N97 A98Q56-A94 HydrophobicContact CG-CB 4.31Å; V65-A94 HydrophobicContact CG2-CB 4.1Å; M68-A94 HydrophobicContact CE-CB 3.89Å; A90-A94 VanDerWaalsContact O-CB 3.29Å; A90-A94 WeakPolarHBondContact O-CB 3.47Å; A90-A94 PolarHBondContact O-N 3.06Å; I91-A94 WeakPolarHBondContact O-CB 3.45Å; I91-A94 PolarHBondContact O-N 2.98Å; A94-F96 VanDerWaalsContact C-N 3.32Å; A94-F96 PolarHBondContact O-N 2.97Å; A94-N97 PolarHBondContact O-N 2.94Å; A94-A98 PolarHBondContact O-N 2.93Å; A94-A98 VanDerWaalsContact O-N 3.08Å
95C85.9Confident86.9Confident0 Ų033.9 Ų33.90%020%0.199CC..Hα-helixtrans-62.2-40.9175.6-64.20000111.7I91 V92 A98 G99 L104 N107I91-C95 PolarHBondContact O-N 3.45Å; I91-C95 VanDerWaalsContact O-N 3.1Å; I91-C95 PolarHBondContact O-SG 3.37Å; I91-C95 VanDerWaalsContact O-SG 3.38Å; V92-C95 PolarHBondContact O-N 3.38Å; C95-A98 PolarHBondContact O-N 3.45Å; C95-G99 PolarHBondContact O-N 2.93Å; C95-L104 HydrophobicContact CB-CB 3.83Å; C95-L104 HydrophobicContact CB-CD1 4.06Å; C95-N107 PolarHBondContact SG-ND2 3.27Å
96F84.4Confident86.9Confident40 Ų4036.7 Ų36.718%0.17522%0.22CC..Hα-helixtrans-64.6-44.9177.4-176.6-102.8000112.4V92 T93 A94 A98 G99 F132 N135 I136V92-F96 WeakPolarHBondContact O-CB 3.41Å; V92-F96 PolarHBondContact O-N 2.94Å; T93-F96 PolarHBondContact O-N 3.34Å; A94-F96 VanDerWaalsContact C-N 3.32Å; A94-F96 PolarHBondContact O-N 2.97Å; F96-A98 VanDerWaalsContact C-N 3.26Å; F96-A98 PolarHBondContact O-N 3.21Å; F96-G99 PolarHBondContact O-N 2.72Å; F96-F132 HydrophobicContact CB-CD2 3.84Å; F96-F132 HydrophobicContact CB-CE2 3.77Å; F96-F132 HydrophobicContact CB-CG 4.31Å; F96-F132 HydrophobicContact CB-CZ 4.18Å; F96-F132 AromaticContact CD1-CD1 3.73Å; F96-F132 HydrophobicContact CD1-CD1 3.73Å; F96-F132 HydrophobicContact CD1-CD2 4.34Å; F96-F132 AromaticContact CD1-CE1 3.94Å; F96-F132 HydrophobicContact CD1-CE1 3.94Å; F96-F132 HydrophobicContact CD1-CE2 4.5Å; F96-F132 AromaticContact CD1-CG 3.96Å; F96-F132 HydrophobicContact CD1-CG 3.96Å; F96-F132 HydrophobicContact CD1-CZ 4.31Å; F96-F132 HydrophobicContact CD2-CB 3.75Å; F96-F132 HydrophobicContact CD2-CD1 4.43Å; F96-F132 HydrophobicContact CD2-CD2 4Å; F96-F132 AromaticContact CD2-CG 3.83Å; F96-F132 HydrophobicContact CD2-CG 3.83Å; F96-F132 HydrophobicContact CE1-CB 4.45Å; F96-F132 AromaticContact CE1-CD1 3.94Å; F96-F132 HydrophobicContact CE1-CD1 3.94Å; F96-F132 HydrophobicContact CE1-CE1 4.46Å; F96-F132 HydrophobicContact CE1-CG 4.26Å; F96-F132 HydrophobicContact CE2-CB 3.69Å; F96-F132 HydrophobicContact CE2-CG 4.15Å; F96-F132 HydrophobicContact CG-CB 4.17Å; F96-F132 AromaticContact CG-CD1 4Å; F96-F132 HydrophobicContact CG-CD1 4Å; F96-F132 AromaticContact CG-CD2 3.77Å; F96-F132 HydrophobicContact CG-CD2 3.77Å; F96-F132 HydrophobicContact CG-CE1 4.31Å; F96-F132 HydrophobicContact CG-CE2 4.08Å; F96-F132 AromaticContact CG-CG 3.73Å; F96-F132 HydrophobicContact CG-CG 3.73Å; F96-F132 HydrophobicContact CG-CZ 4.34Å; F96-F132 HydrophobicContact CZ-CB 4.07Å; F96-F132 HydrophobicContact CZ-CD1 4.38Å; F96-F132 HydrophobicContact CZ-CG 4.36Å; F96-N135 HydrophobicContact CE1-CB 4.48Å; F96-N135 HydrophobicContact CZ-CB 3.87Å; F96-I136 HydrophobicContact CE2-CD1 4.13Å; F96-I136 HydrophobicContact CE2-CG1 3.73Å; F96-I136 HydrophobicContact CZ-CG1 4.43Å
97N85.4Confident86.9Confident109 Ų10933.1 Ų33.158%0.58321%0.209SC*.Hα-helixtrans-65.5-28.6178.6-71.5-17.3000113T93 A94 G99T93-N97 WeakPolarHBondContact O-CB 3.38Å; T93-N97 PolarHBondContact O-N 3.47Å; T93-N97 PolarHBondContact O-ND2 3.4Å; A94-N97 PolarHBondContact O-N 2.94Å; N97-G99 PolarHBondContact O-N 3.38Å
98A83.4Confident86.8Confident42 Ų4233.1 Ų33.135%0.34721%0.209SC..Hα-helixtrans-72-16173.600000113.2W61 A94 C95 F96 D100W61-A98 HydrophobicContact CB-CB 4.3Å; W61-A98 HydrophobicContact CD2-CB 3.51Å; W61-A98 HydrophobicContact CE3-CB 4.11Å; W61-A98 HydrophobicContact CG-CB 3.58Å; W61-A98 HydrophobicContact CZ2-CB 4.25Å; A94-A98 PolarHBondContact O-N 2.93Å; A94-A98 VanDerWaalsContact O-N 3.08Å; C95-A98 PolarHBondContact O-N 3.45Å; F96-A98 VanDerWaalsContact C-N 3.26Å; F96-A98 PolarHBondContact O-N 3.21Å; A98-D100 VanDerWaalsContact C-N 3.28Å; A98-D100 PolarHBondContact O-N 3.29Å
99G80.5Confident86.8Confident59 Ų5935.3 Ų35.361%0.60822%0.218SC*.THydrogen-bonded Turntrans79.82.7-177.600000114.7C95 F96 N97 I101C95-G99 PolarHBondContact O-N 2.93Å; F96-G99 PolarHBondContact O-N 2.72Å; N97-G99 PolarHBondContact O-N 3.38Å; G99-I101 PolarHBondContact O-N 2.89Å
100D84.5Confident86.7Confident57 Ų5735.6 Ų35.631%0.30522%0.222SC..  trans-92.896.5180-169.7-18.8000110.9W61 A98 D102 A103 L104W61-D100 HydrophobicContact CH2-CB 4.06Å; W61-D100 HydrophobicContact CZ2-CB 4.12Å; A98-D100 VanDerWaalsContact C-N 3.28Å; A98-D100 PolarHBondContact O-N 3.29Å; D100-D102 PolarHBondContact OD1-N 3.46Å; D100-D102 VanDerWaalsContact OD1-N 3.14Å; D100-A103 HydrophobicContact CB-CB 3.88Å; D100-A103 PolarHBondContact OD1-N 3.17Å; D100-A103 WeakPolarHBondContact OD2-CB 3.32Å; D100-L104 PolarHBondContact O-N 2.78Å; D100-L104 VanDerWaalsContact O-N 3.1Å
101I85Confident86.6Confident26 Ų2634.9 Ų34.913%0.13322%0.216CC..Hα-helixtrans-74.7-29.8-177.9-62.1171.9000111.1G99 L104 I105 I136 L145G99-I101 PolarHBondContact O-N 2.89Å; I101-L104 WeakPolarHBondContact O-CB 3.42Å; I101-L104 PolarHBondContact O-N 3.15Å; I101-I105 HydrophobicContact CG2-CD1 4.03Å; I101-I105 HydrophobicContact CG2-CG1 4.42Å; I101-I105 VanDerWaalsContact O-CG1 3.28Å; I101-I105 WeakPolarHBondContact O-CG1 3.25Å; I101-I105 PolarHBondContact O-N 2.94Å; I101-I136 HydrophobicContact CD1-CD1 4.24Å; I101-I136 HydrophobicContact CD1-CG1 4.41Å; I101-I136 HydrophobicContact CD1-CG2 4.15Å; I101-L145 HydrophobicContact CG2-CB 4.4Å
102D87.3Confident86.4Confident117 Ų11735.7 Ų35.763%0.62622%0.22SC*.Hα-helixtrans-69.2-41.9176.4-70.4-33.1000110.8D100 L104 I105 S106D100-D102 PolarHBondContact OD1-N 3.46Å; D100-D102 VanDerWaalsContact OD1-N 3.14Å; D102-L104 VanDerWaalsContact C-N 3.31Å; D102-L104 PolarHBondContact O-N 3.25Å; D102-I105 PolarHBondContact O-N 3.45Å; D102-S106 WeakPolarHBondContact O-CB 3.46Å; D102-S106 PolarHBondContact O-N 3.16Å
103A86.7Confident86.3Confident18 Ų1843.6 Ų43.615%0.14926%0.255CS..Hα-helixtrans-62.1-39.4171.700000111.6W61 D100 S106 N107W61-A103 HydrophobicContact CH2-CB 3.67Å; W61-A103 HydrophobicContact CZ3-CB 3.98Å; D100-A103 HydrophobicContact CB-CB 3.88Å; D100-A103 PolarHBondContact OD1-N 3.17Å; D100-A103 WeakPolarHBondContact OD2-CB 3.32Å; A103-S106 PolarHBondContact O-N 3Å; A103-N107 WeakPolarHBondContact O-CB 3.49Å; A103-N107 PolarHBondContact O-N 3.39Å; A103-N107 PolarHBondContact O-ND2 2.8Å
104L87.5Confident85.9Confident0 Ų046.4 Ų46.40%026%0.264CS..Hα-helixtrans-60.3-50173.9173.760.9000111.4V92 C95 D100 I101 D102 S106 N107 I108 L145V92-L104 HydrophobicContact CB-CD1 3.99Å; V92-L104 HydrophobicContact CG1-CD1 3.38Å; V92-L104 HydrophobicContact CG2-CD1 4.2Å; C95-L104 HydrophobicContact CB-CB 3.83Å; C95-L104 HydrophobicContact CB-CD1 4.06Å; D100-L104 PolarHBondContact O-N 2.78Å; D100-L104 VanDerWaalsContact O-N 3.1Å; I101-L104 WeakPolarHBondContact O-CB 3.42Å; I101-L104 PolarHBondContact O-N 3.15Å; D102-L104 VanDerWaalsContact C-N 3.31Å; D102-L104 PolarHBondContact O-N 3.25Å; L104-S106 VanDerWaalsContact C-N 3.32Å; L104-S106 PolarHBondContact O-N 2.83Å; L104-N107 PolarHBondContact O-N 3.29Å; L104-I108 HydrophobicContact CD1-CD1 3.85Å; L104-I108 HydrophobicContact CD1-CG1 4.11Å; L104-I108 HydrophobicContact CG-CD1 3.86Å; L104-I108 VanDerWaalsContact O-CG1 3.25Å; L104-I108 WeakPolarHBondContact O-CG1 3.46Å; L104-I108 PolarHBondContact O-N 3.45Å; L104-L145 HydrophobicContact CD2-CD1 3.99Å; L104-L145 HydrophobicContact CD2-CD2 4.07Å; L104-L145 HydrophobicContact CG-CD1 4.28Å
105I88.4Confident85.4Confident26 Ų2657.2 Ų57.213%0.13330%0.304CS..Hα-helixtrans-60.2-43.1178.8-70.9166.9000110.9I101 D102 I108 H109 N144 L145 A148I101-I105 HydrophobicContact CG2-CD1 4.03Å; I101-I105 HydrophobicContact CG2-CG1 4.42Å; I101-I105 VanDerWaalsContact O-CG1 3.28Å; I101-I105 WeakPolarHBondContact O-CG1 3.25Å; I101-I105 PolarHBondContact O-N 2.94Å; D102-I105 PolarHBondContact O-N 3.45Å; I105-I108 PolarHBondContact O-N 3.02Å; I105-H109 PolarHBondContact O-N 3.37Å; I105-H109 PolarHBondContact O-ND1 3.02Å; I105-N144 HydrophobicContact CD1-CB 3.84Å; I105-L145 HydrophobicContact CG1-CD1 4.09Å; I105-A148 HydrophobicContact CB-CB 4.42Å; I105-A148 HydrophobicContact CG1-CB 4.02Å; I105-A148 HydrophobicContact CG2-CB 3.75Å
106S89.1Confident85Confident79 Ų7960 Ų6055%0.55232%0.324SS*.Hα-helixtrans-61.4-45.2177.2-1750000111.7D102 A103 L104 H109 S110D102-S106 WeakPolarHBondContact O-CB 3.46Å; D102-S106 PolarHBondContact O-N 3.16Å; A103-S106 PolarHBondContact O-N 3Å; L104-S106 VanDerWaalsContact C-N 3.32Å; L104-S106 PolarHBondContact O-N 2.83Å; S106-H109 PolarHBondContact O-N 3.45Å; S106-S110 WeakPolarHBondContact O-CB 3.31Å; S106-S110 PolarHBondContact O-N 3.07Å
107N88Confident84.9Confident28 Ų2859.4 Ų59.415%0.1532%0.322CS..Hα-helixtrans-65.9-41.3177.3-81.4-63.8000112.5I91 C95 A103 L104 H109 S110 L111I91-N107 HydrophobicContact CG2-CB 4.26Å; C95-N107 PolarHBondContact SG-ND2 3.27Å; A103-N107 WeakPolarHBondContact O-CB 3.49Å; A103-N107 PolarHBondContact O-N 3.39Å; A103-N107 PolarHBondContact O-ND2 2.8Å; L104-N107 PolarHBondContact O-N 3.29Å; N107-H109 VanDerWaalsContact C-N 3.35Å; N107-H109 PolarHBondContact O-N 3.06Å; N107-S110 PolarHBondContact O-N 3.38Å; N107-L111 WeakPolarHBondContact O-CB 3.47Å; N107-L111 WeakPolarHBondContact O-CG 3.2Å; N107-L111 PolarHBondContact O-N 2.67Å
108I88.4Confident84.8Confident0 Ų054.2 Ų54.20%030%0.295CS..Hα-helixtrans-58.9-47.1174.7-67.7165.2000110.3V92 L104 I105 S110 L111 T112 M125 L145 L149 V152V92-I108 HydrophobicContact CG2-CG1 4.34Å; L104-I108 HydrophobicContact CD1-CD1 3.85Å; L104-I108 HydrophobicContact CD1-CG1 4.11Å; L104-I108 HydrophobicContact CG-CD1 3.86Å; L104-I108 VanDerWaalsContact O-CG1 3.25Å; L104-I108 WeakPolarHBondContact O-CG1 3.46Å; L104-I108 PolarHBondContact O-N 3.45Å; I105-I108 PolarHBondContact O-N 3.02Å; I108-S110 VanDerWaalsContact C-N 3.35Å; I108-S110 PolarHBondContact O-N 3Å; I108-L111 PolarHBondContact O-N 3.28Å; I108-T112 WeakPolarHBondContact O-CB 3.38Å; I108-T112 PolarHBondContact O-N 3.18Å; I108-T112 PolarHBondContact O-OG1 3.39Å; I108-M125 HydrophobicContact CG2-CE 4.36Å; I108-L145 HydrophobicContact CD1-CD1 3.72Å; I108-L149 HydrophobicContact CD1-CD2 4.13Å; I108-L149 HydrophobicContact CG2-CD2 4.37Å; I108-V152 HydrophobicContact CG2-CB 4.47Å; I108-V152 HydrophobicContact CG2-CG1 4.28Å; I108-V152 HydrophobicContact CG2-CG2 3.8Å
109H88.8Confident84.8Confident49 Ų4953.7 Ų53.723%0.22729%0.285CS..Hα-helixtrans-62.6-41.7176.8-79.489.4000112I105 S106 N107 T112 K113I105-H109 PolarHBondContact O-N 3.37Å; I105-H109 PolarHBondContact O-ND1 3.02Å; S106-H109 PolarHBondContact O-N 3.45Å; N107-H109 VanDerWaalsContact C-N 3.35Å; N107-H109 PolarHBondContact O-N 3.06Å; H109-T112 PolarHBondContact O-N 3.27Å; H109-K113 WeakPolarHBondContact O-CB 3.22Å; H109-K113 VanDerWaalsContact O-CG 3.3Å; H109-K113 WeakPolarHBondContact O-CG 3.34Å; H109-K113 PolarHBondContact O-N 3.35Å; H109-K113 VanDerWaalsContact O-N 3.12Å
110S87.6Confident85Confident40 Ų4055.9 Ų55.928%0.2828%0.279SS..Hα-helixtrans-61.5-52.4177.8-175.90000110.9S106 N107 I108 T112 K113 K114S106-S110 WeakPolarHBondContact O-CB 3.31Å; S106-S110 PolarHBondContact O-N 3.07Å; N107-S110 PolarHBondContact O-N 3.38Å; I108-S110 VanDerWaalsContact C-N 3.35Å; I108-S110 PolarHBondContact O-N 3Å; S110-T112 VanDerWaalsContact C-N 3.25Å; S110-T112 PolarHBondContact O-N 3.07Å; S110-K113 PolarHBondContact O-N 2.98Å; S110-K114 WeakPolarHBondContact O-CE 3.47Å; S110-K114 VanDerWaalsContact O-CG 3.28Å; S110-K114 WeakPolarHBondContact O-CG 3.43Å; S110-K114 WeakPolarHBondContact OG-CE 3.38Å; S110-K114 PolarHBondContact OG-NZ 3.39Å
111L86.2Confident85.1Confident4 Ų453.1 Ų53.12%0.02126%0.264CS..Hα-helixtrans-60.3-35.9-179.2-71.6172.9000112.1E72 Q88 I91 V92 N107 I108 L117 M125E72-L111 HydrophobicContact CG-CD2 4.09Å; Q88-L111 HydrophobicContact CG-CD1 4.3Å; Q88-L111 HydrophobicContact CG-CD2 4.34Å; I91-L111 HydrophobicContact CD1-CD2 4.33Å; I91-L111 HydrophobicContact CG2-CD1 4.23Å; V92-L111 HydrophobicContact CG2-CD1 4.49Å; N107-L111 WeakPolarHBondContact O-CB 3.47Å; N107-L111 WeakPolarHBondContact O-CG 3.2Å; N107-L111 PolarHBondContact O-N 2.67Å; I108-L111 PolarHBondContact O-N 3.28Å; L111-L117 WeakPolarHBondContact O-CD2 3.01Å; L111-M125 HydrophobicContact CB-SD 4.22Å; L111-M125 HydrophobicContact CD1-SD 3.8Å
112T84.5Confident85.1Confident16 Ų1652.1 Ų52.110%0.09826%0.259CS..Hα-helixtrans-78.1-26.5-177.4-590000114.1I108 H109 S110 L117 M122 V152I108-T112 WeakPolarHBondContact O-CB 3.38Å; I108-T112 PolarHBondContact O-N 3.18Å; I108-T112 PolarHBondContact O-OG1 3.39Å; H109-T112 PolarHBondContact O-N 3.27Å; S110-T112 VanDerWaalsContact C-N 3.25Å; S110-T112 PolarHBondContact O-N 3.07Å; T112-L117 WeakPolarHBondContact O-CD1 3.2Å; T112-M122 HydrophobicContact CG2-CE 4.1Å; T112-V152 HydrophobicContact CG2-CB 4.16Å; T112-V152 HydrophobicContact CG2-CG1 3.62Å; T112-V152 HydrophobicContact CG2-CG2 4.08Å; T112-V152 WeakPolarHBondContact OG1-CG1 3.48Å
113K84.9Confident85Confident167 Ų16747.3 Ų47.373%0.72623%0.234SC*.Hα-helixtrans-88.2-6.8-175.9-76.4176.8179.7177.20114.5H109 S110H109-K113 WeakPolarHBondContact O-CB 3.22Å; H109-K113 VanDerWaalsContact O-CG 3.3Å; H109-K113 WeakPolarHBondContact O-CG 3.34Å; H109-K113 PolarHBondContact O-N 3.35Å; H109-K113 VanDerWaalsContact O-N 3.12Å; S110-K113 PolarHBondContact O-N 2.98Å
114K81.3Confident85.1Confident97 Ų9750 Ų5042%0.42224%0.243SC..SBendtrans-75.6159.2-177-54.8-60.9176.6174.60111.4S110 L117S110-K114 WeakPolarHBondContact O-CE 3.47Å; S110-K114 VanDerWaalsContact O-CG 3.28Å; S110-K114 WeakPolarHBondContact O-CG 3.43Å; S110-K114 WeakPolarHBondContact OG-CE 3.38Å; S110-K114 PolarHBondContact OG-NZ 3.39Å; K114-L117 WeakPolarHBondContact O-CG 3.48Å
115R75.8Confident85.1Confident227 Ų22750 Ų5086%0.85724%0.244SC*.SBendtrans-72.6154174-65.3-177.3-179.1177.50.1110.8R76R76-R115 VanDerWaalsContact CD-O 3.22Å; R76-R115 WeakPolarHBondContact CD-O 3.44Å
116S77.9Confident85.1Confident59 Ų5948.8 Ų48.841%0.41324%0.237SC..SBendtrans57.458.8176.7-50.30000113Y29 R76Y29-S116 VanDerWaalsContact CD1-O 3.32Å; Y29-S116 WeakPolarHBondContact CD1-O 3.39Å; Y29-S116 WeakPolarHBondContact CE1-O 3.37Å; R76-S116 VanDerWaalsContact CD-O 3.24Å; R76-S116 WeakPolarHBondContact CD-O 3.32Å; R76-S116 WeakPolarHBondContact CG-O 3.26Å
117L81.3Confident85.1Confident27 Ų2751 Ų5114%0.14123%0.234CC..  trans-76.6127.7177.3-61.8160.2000110.3Y29 G30 L111 T112 K114Y29-L117 CarbonylContact C-O 3.6Å; Y29-L117 WeakPolarHBondContact CA-O 3.28Å; Y29-L117 WeakPolarHBondContact CD1-O 3.37Å; G30-L117 PolarHBondContact N-O 3.22Å; L111-L117 WeakPolarHBondContact O-CD2 3.01Å; T112-L117 WeakPolarHBondContact O-CD1 3.2Å; K114-L117 WeakPolarHBondContact O-CG 3.48Å
118I83.1Confident85Confident1 Ų150.5 Ų50.51%0.00523%0.231CC..BIsolated β-bridgetrans-80.1126.7175.2-56.6179000108.7A27 Y29 M81 N84 Q120 M122A27-I118 HydrophobicContact CB-CD1 4.44Å; A27-I118 HydrophobicContact CB-CG2 4.33Å; Y29-I118 HydrophobicContact CD1-CG1 4.11Å; Y29-I118 HydrophobicContact CE1-CG1 3.75Å; M81-I118 HydrophobicContact CB-CG2 4.13Å; M81-I118 HydrophobicContact CG-CG2 3.75Å; M81-I118 HydrophobicContact SD-CG2 4.31Å; N84-I118 HydrophobicContact CB-CD1 3.86Å; I118-Q120 PolarHBondContact O-N 3.46Å; I118-M122 PolarHBondContact O-N 3.14Å
119K84.4Confident85Confident31 Ų3150.5 Ų50.514%0.13523%0.231CC..Hα-helixtrans-60.8-46-174.5-68.9-173.2-172.3-179.10112.3E28 Y29 M122 T123 Y158E28-K119 HydrophobicContact CB-CD 4.27Å; E28-K119 HydrophobicContact CG-CD 3.77Å; E28-K119 HydrophobicContact CG-CG 4.46Å; E28-K119 WeakPolarHBondContact O-CG 3.41Å; E28-K119 PolarHBondContact O-N 2.96Å; E28-K119 WeakPolarHBondContact OE1-CE 3.5Å; E28-K119 IonicContact OE1-NZ 2.65Å; E28-K119 PolarHBondContact OE1-NZ 3.44Å; E28-K119 IonicContact OE2-NZ 3.34Å; Y29-K119 WeakPolarHBondContact O-CE 3.47Å; K119-M122 PolarHBondContact O-N 2.81Å; K119-T123 PolarHBondContact O-N 3.33Å; K119-T123 PolarHBondContact O-OG1 2.93Å; K119-Y158 HydrophobicContact CB-CD2 4.23Å; K119-Y158 HydrophobicContact CB-CE2 4.34Å; K119-Y158 HydrophobicContact CB-CG 4.33Å; K119-Y158 HydrophobicContact CD-CD1 3.93Å; K119-Y158 HydrophobicContact CD-CE1 4.29Å; K119-Y158 HydrophobicContact CD-CG 4.31Å; K119-Y158 HydrophobicContact CG-CD1 4Å; K119-Y158 HydrophobicContact CG-CE1 3.94Å; K119-Y158 HydrophobicContact CG-CE2 4.46Å; K119-Y158 HydrophobicContact CG-CG 4.3Å
120Q85.2Confident84.8Confident104 Ų10452 Ų5249%0.48624%0.236SC..Hα-helixtrans-66.3-45-177.9-171.6168.91.800112.1M81 I118 M122 T123 E124M81-Q120 HydrophobicContact CG-CB 4.09Å; M81-Q120 HydrophobicContact SD-CB 3.79Å; M81-Q120 HydrophobicContact SD-CG 4.45Å; M81-Q120 PolarHBondContact SD-OE1 3.47Å; I118-Q120 PolarHBondContact O-N 3.46Å; Q120-M122 VanDerWaalsContact C-N 3.29Å; Q120-M122 PolarHBondContact O-N 2.84Å; Q120-T123 PolarHBondContact O-N 3.42Å; Q120-E124 PolarHBondContact O-N 3.47Å
121S85.6Confident84.7Confident0 Ų052.9 Ų52.90%024%0.242CC..Hα-helixtrans-56.8-45.1176.5-470000111.6N84 T85 Q88 E124 M125N84-S121 VanDerWaalsContact OD1-CB 3.22Å; N84-S121 WeakPolarHBondContact OD1-CB 3.36Å; N84-S121 PolarHBondContact OD1-OG 3.29Å; T85-S121 PolarHBondContact N-OG 2.97Å; T85-S121 WeakPolarHBondContact OG1-CA 3.4Å; T85-S121 PolarHBondContact OG1-OG 3.49Å; T85-S121 VanDerWaalsContact OG1-OG 3.13Å; Q88-S121 PolarHBondContact OE1-O 3.4Å; S121-E124 PolarHBondContact O-N 2.99Å; S121-M125 VanDerWaalsContact O-CB 3.25Å; S121-M125 WeakPolarHBondContact O-CB 3.47Å; S121-M125 PolarHBondContact O-N 2.91Å
122M84.9Confident84.7Confident4 Ų453.6 Ų53.62%0.0225%0.245CC..Hα-helixtrans-67-40.4179-177.3176175.500112.4T112 I118 K119 Q120 M125 V126 V152 K156 Y158 V159T112-M122 HydrophobicContact CG2-CE 4.1Å; I118-M122 PolarHBondContact O-N 3.14Å; K119-M122 PolarHBondContact O-N 2.81Å; Q120-M122 VanDerWaalsContact C-N 3.29Å; Q120-M122 PolarHBondContact O-N 2.84Å; M122-M125 HydrophobicContact CG-CE 4.29Å; M122-V126 HydrophobicContact CE-CG2 4.44Å; M122-V126 WeakPolarHBondContact O-CG2 3.29Å; M122-V126 PolarHBondContact O-N 3.17Å; M122-V152 HydrophobicContact CE-CG1 3.37Å; M122-K156 HydrophobicContact CE-CD 3.51Å; M122-K156 HydrophobicContact SD-CD 3.65Å; M122-K156 PolarHBondContact SD-NZ 3.02Å; M122-K156 VanDerWaalsContact SD-NZ 3.37Å; M122-Y158 HydrophobicContact CB-CE2 4.17Å; M122-Y158 HydrophobicContact CG-CE2 4.18Å; M122-Y158 HydrophobicContact SD-CE2 3.89Å; M122-Y158 PolarHBondContact SD-OH 2.92Å; M122-V159 HydrophobicContact CE-CG2 4.4Å
123T86.7Confident84.5Confident16 Ų1652.8 Ų52.810%0.09824%0.24CC..Hα-helixtrans-62.7-47178.3-53.30000110.3K119 Q120 V126 R127 Y158K119-T123 PolarHBondContact O-N 3.33Å; K119-T123 PolarHBondContact O-OG1 2.93Å; Q120-T123 PolarHBondContact O-N 3.42Å; T123-V126 PolarHBondContact O-N 2.89Å; T123-R127 WeakPolarHBondContact O-CG 3.48Å; T123-R127 PolarHBondContact O-N 3.07Å; T123-Y158 WeakPolarHBondContact OG1-CD2 3.4Å
124E87.4Confident84.3Confident74 Ų7449.4 Ų49.435%0.34624%0.237SC..Hα-helixtrans-67.4-41.9179.7-16358.9-154.800111.6T85 V89 Q120 S121 V126 R127 T128T85-E124 HydrophobicContact CG2-CB 3.65Å; T85-E124 HydrophobicContact CG2-CG 3.84Å; V89-E124 HydrophobicContact CG2-CB 4.44Å; V89-E124 HydrophobicContact CG2-CG 3.96Å; Q120-E124 PolarHBondContact O-N 3.47Å; S121-E124 PolarHBondContact O-N 2.99Å; E124-V126 VanDerWaalsContact C-N 3.31Å; E124-V126 PolarHBondContact O-N 3.39Å; E124-R127 WeakPolarHBondContact O-CB 3.44Å; E124-R127 PolarHBondContact O-N 2.56Å; E124-R127 VanDerWaalsContact O-N 3.13Å; E124-R127 IonicContact OE2-NH1 3.8Å; E124-T128 PolarHBondContact O-N 3.37Å; E124-T128 PolarHBondContact O-OG1 3.25Å
125M88.3Confident84.3Confident1 Ų149.8 Ų49.81%0.00524%0.244CC..Hα-helixtrans-53.4-48.3172.4-177.1-167.570.100111.3Q88 V92 I108 L111 S121 M122 R127 T128 C129Q88-M125 HydrophobicContact CB-CB 4.34Å; Q88-M125 HydrophobicContact CB-CG 4.43Å; Q88-M125 HydrophobicContact CB-SD 4.48Å; V92-M125 HydrophobicContact CG2-CG 3.75Å; V92-M125 HydrophobicContact CG2-SD 4.2Å; I108-M125 HydrophobicContact CG2-CE 4.36Å; L111-M125 HydrophobicContact CB-SD 4.22Å; L111-M125 HydrophobicContact CD1-SD 3.8Å; S121-M125 VanDerWaalsContact O-CB 3.25Å; S121-M125 WeakPolarHBondContact O-CB 3.47Å; S121-M125 PolarHBondContact O-N 2.91Å; M122-M125 HydrophobicContact CG-CE 4.29Å; M125-R127 PolarHBondContact O-N 3.03Å; M125-T128 PolarHBondContact O-N 2.91Å; M125-C129 PolarHBondContact O-N 3.48Å; M125-C129 PolarHBondContact O-SG 2.88Å
126V88.3Confident84.4Confident0 Ų039.8 Ų39.80%021%0.207CC..Hα-helixtrans-67.3-35.7179.4173.50000111.9M122 T123 E124 C129 Y130 L149 V159 E162M122-V126 HydrophobicContact CE-CG2 4.44Å; M122-V126 WeakPolarHBondContact O-CG2 3.29Å; M122-V126 PolarHBondContact O-N 3.17Å; T123-V126 PolarHBondContact O-N 2.89Å; E124-V126 VanDerWaalsContact C-N 3.31Å; E124-V126 PolarHBondContact O-N 3.39Å; V126-C129 PolarHBondContact O-N 3.09Å; V126-Y130 WeakPolarHBondContact O-CB 3.44Å; V126-Y130 PolarHBondContact O-N 2.93Å; V126-L149 HydrophobicContact CG2-CD2 4.46Å; V126-V159 HydrophobicContact CB-CG1 3.91Å; V126-V159 HydrophobicContact CG1-CG1 3.6Å; V126-V159 HydrophobicContact CG2-CG1 4.03Å; V126-E162 HydrophobicContact CG1-CB 3.93Å; V126-E162 HydrophobicContact CG1-CG 4.34Å
127R88.5Confident84.4Confident126 Ų12643.7 Ų43.748%0.47523%0.229SC..Hα-helixtrans-65.5-40.8173.7-73.1173180176.2-0.4112.4T123 E124 M125 Y130 S131 E162T123-R127 WeakPolarHBondContact O-CG 3.48Å; T123-R127 PolarHBondContact O-N 3.07Å; E124-R127 WeakPolarHBondContact O-CB 3.44Å; E124-R127 PolarHBondContact O-N 2.56Å; E124-R127 VanDerWaalsContact O-N 3.13Å; E124-R127 IonicContact OE2-NH1 3.8Å; M125-R127 PolarHBondContact O-N 3.03Å; R127-Y130 WeakPolarHBondContact O-CB 3.39Å; R127-Y130 PolarHBondContact O-N 3.49Å; R127-S131 PolarHBondContact O-N 2.72Å; R127-E162 HydrophobicContact CG-CG 4.21Å; R127-E162 IonicContact CZ-OE1 3.82Å; R127-E162 IonicContact NE-OE1 2.85Å; R127-E162 PolarHBondContact NE-OE1 2.97Å; R127-E162 IonicContact NH2-OE1 2.89Å
128T87Confident84.3Confident17 Ų1746 Ų4610%0.10424%0.242CC..Hα-helixtrans-61.8-47.6172.9-50.90000110.2V89 E124 M125 Y130 S131 F132V89-T128 HydrophobicContact CG1-CG2 4.05Å; E124-T128 PolarHBondContact O-N 3.37Å; E124-T128 PolarHBondContact O-OG1 3.25Å; M125-T128 PolarHBondContact O-N 2.91Å; T128-Y130 VanDerWaalsContact C-N 3.26Å; T128-Y130 PolarHBondContact O-N 3.26Å; T128-S131 WeakPolarHBondContact O-CB 3.4Å; T128-S131 PolarHBondContact O-N 3.3Å; T128-S131 PolarHBondContact O-OG 3.28Å; T128-F132 HydrophobicContact CG2-CE1 4Å; T128-F132 HydrophobicContact CG2-CE2 3.71Å; T128-F132 HydrophobicContact CG2-CZ 3.39Å; T128-F132 WeakPolarHBondContact O-CG 3.41Å; T128-F132 PolarHBondContact O-N 2.89Å; T128-F132 VanDerWaalsContact O-N 3.16Å
129C86.6Confident84.2Confident0 Ų052.1 Ų52.10%027%0.268CS..Hα-helixtrans-57.9-39.5174.1-61.50000112.4V92 M125 V126 S131 F132 L133 L149V92-C129 WeakPolarHBondContact CG1-SG 3.44Å; M125-C129 PolarHBondContact O-N 3.48Å; M125-C129 PolarHBondContact O-SG 2.88Å; V126-C129 PolarHBondContact O-N 3.09Å; C129-S131 VanDerWaalsContact C-N 3.32Å; C129-S131 PolarHBondContact O-N 3.09Å; C129-F132 WeakPolarHBondContact O-CB 3.46Å; C129-F132 PolarHBondContact O-N 3.33Å; C129-F132 VanDerWaalsContact O-N 3.17Å; C129-L133 PolarHBondContact O-N 3.31Å; C129-L149 HydrophobicContact CB-CD1 3.77Å; C129-L149 HydrophobicContact CB-CD2 3.67Å; C129-L149 HydrophobicContact CB-CG 4.33Å
130Y85.5Confident84.2Confident81 Ų8157.1 Ų57.132%0.31829%0.292SS..Hα-helixtrans-62.2-39.6176.1-178.5-93.4000111.7V126 R127 T128 F132 L133 R165 L166 M169V126-Y130 WeakPolarHBondContact O-CB 3.44Å; V126-Y130 PolarHBondContact O-N 2.93Å; R127-Y130 WeakPolarHBondContact O-CB 3.39Å; R127-Y130 PolarHBondContact O-N 3.49Å; T128-Y130 VanDerWaalsContact C-N 3.26Å; T128-Y130 PolarHBondContact O-N 3.26Å; Y130-F132 VanDerWaalsContact C-N 3.26Å; Y130-F132 PolarHBondContact O-N 3.38Å; Y130-L133 HydrophobicContact CD2-CD1 4.21Å; Y130-L133 WeakPolarHBondContact O-CB 3.41Å; Y130-L133 PolarHBondContact O-N 3.18Å; Y130-R165 HydrophobicContact CE2-CB 4.09Å; Y130-L166 HydrophobicContact CD2-CD2 3.92Å; Y130-L166 HydrophobicContact CD2-CG 4.28Å; Y130-L166 HydrophobicContact CE2-CD2 4.46Å; Y130-M169 HydrophobicContact CE2-CE 4.17Å
131S86.6Confident84.1Confident59 Ų5953.6 Ų53.641%0.41328%0.279SS..Hα-helixtrans-65.6-27.4175.276.30000113.3R127 T128 C129 L133 S134R127-S131 PolarHBondContact O-N 2.72Å; T128-S131 WeakPolarHBondContact O-CB 3.4Å; T128-S131 PolarHBondContact O-N 3.3Å; T128-S131 PolarHBondContact O-OG 3.28Å; C129-S131 VanDerWaalsContact C-N 3.32Å; C129-S131 PolarHBondContact O-N 3.09Å; S131-L133 VanDerWaalsContact C-N 3.32Å; S131-L133 PolarHBondContact O-N 3.1Å; S131-S134 PolarHBondContact O-OG 3.19Å
132F84.6Confident84.1Confident18 Ų1855.9 Ų55.98%0.07929%0.289CS..Hα-helixtrans-71.9-26.7175.9-61.5-26.9000112.8V92 T93 F96 T128 C129 Y130 S134 N135 I136V92-F132 HydrophobicContact CG1-CD2 4.11Å; V92-F132 HydrophobicContact CG1-CE2 3.6Å; T93-F132 HydrophobicContact CG2-CZ 4.19Å; F96-F132 HydrophobicContact CB-CD2 3.84Å; F96-F132 HydrophobicContact CB-CE2 3.77Å; F96-F132 HydrophobicContact CB-CG 4.31Å; F96-F132 HydrophobicContact CB-CZ 4.18Å; F96-F132 AromaticContact CD1-CD1 3.73Å; F96-F132 HydrophobicContact CD1-CD1 3.73Å; F96-F132 HydrophobicContact CD1-CD2 4.34Å; F96-F132 AromaticContact CD1-CE1 3.94Å; F96-F132 HydrophobicContact CD1-CE1 3.94Å; F96-F132 HydrophobicContact CD1-CE2 4.5Å; F96-F132 AromaticContact CD1-CG 3.96Å; F96-F132 HydrophobicContact CD1-CG 3.96Å; F96-F132 HydrophobicContact CD1-CZ 4.31Å; F96-F132 HydrophobicContact CD2-CB 3.75Å; F96-F132 HydrophobicContact CD2-CD1 4.43Å; F96-F132 HydrophobicContact CD2-CD2 4Å; F96-F132 AromaticContact CD2-CG 3.83Å; F96-F132 HydrophobicContact CD2-CG 3.83Å; F96-F132 HydrophobicContact CE1-CB 4.45Å; F96-F132 AromaticContact CE1-CD1 3.94Å; F96-F132 HydrophobicContact CE1-CD1 3.94Å; F96-F132 HydrophobicContact CE1-CE1 4.46Å; F96-F132 HydrophobicContact CE1-CG 4.26Å; F96-F132 HydrophobicContact CE2-CB 3.69Å; F96-F132 HydrophobicContact CE2-CG 4.15Å; F96-F132 HydrophobicContact CG-CB 4.17Å; F96-F132 AromaticContact CG-CD1 4Å; F96-F132 HydrophobicContact CG-CD1 4Å; F96-F132 AromaticContact CG-CD2 3.77Å; F96-F132 HydrophobicContact CG-CD2 3.77Å; F96-F132 HydrophobicContact CG-CE1 4.31Å; F96-F132 HydrophobicContact CG-CE2 4.08Å; F96-F132 AromaticContact CG-CG 3.73Å; F96-F132 HydrophobicContact CG-CG 3.73Å; F96-F132 HydrophobicContact CG-CZ 4.34Å; F96-F132 HydrophobicContact CZ-CB 4.07Å; F96-F132 HydrophobicContact CZ-CD1 4.38Å; F96-F132 HydrophobicContact CZ-CG 4.36Å; T128-F132 HydrophobicContact CG2-CE1 4Å; T128-F132 HydrophobicContact CG2-CE2 3.71Å; T128-F132 HydrophobicContact CG2-CZ 3.39Å; T128-F132 WeakPolarHBondContact O-CG 3.41Å; T128-F132 PolarHBondContact O-N 2.89Å; T128-F132 VanDerWaalsContact O-N 3.16Å; C129-F132 WeakPolarHBondContact O-CB 3.46Å; C129-F132 PolarHBondContact O-N 3.33Å; C129-F132 VanDerWaalsContact O-N 3.17Å; Y130-F132 VanDerWaalsContact C-N 3.26Å; Y130-F132 PolarHBondContact O-N 3.38Å; F132-S134 PolarHBondContact O-N 2.96Å; F132-S134 VanDerWaalsContact O-N 3.16Å; F132-N135 PolarHBondContact O-N 3.26Å; F132-I136 WeakPolarHBondContact O-CG1 3.31Å; F132-I136 PolarHBondContact O-N 3.09Å
133L81Confident84.3Confident0 Ų056.3 Ų56.30%029%0.291CS..THydrogen-bonded Turntrans-63.2-21.6-179.9-67.4171.3000114.1C129 Y130 S131 N135 I136 K142 L145 I146 L149 L166 M169C129-L133 PolarHBondContact O-N 3.31Å; Y130-L133 HydrophobicContact CD2-CD1 4.21Å; Y130-L133 WeakPolarHBondContact O-CB 3.41Å; Y130-L133 PolarHBondContact O-N 3.18Å; S131-L133 VanDerWaalsContact C-N 3.32Å; S131-L133 PolarHBondContact O-N 3.1Å; L133-N135 VanDerWaalsContact C-N 3.33Å; L133-I136 HydrophobicContact CD2-CD1 4.45Å; L133-K142 HydrophobicContact CD2-CG 4.07Å; L133-K142 WeakPolarHBondContact O-CE 3.39Å; L133-K142 PolarHBondContact O-NZ 3.29Å; L133-L145 HydrophobicContact CD2-CB 4.29Å; L133-L145 HydrophobicContact CD2-CD2 3.76Å; L133-L145 HydrophobicContact CD2-CG 4.07Å; L133-L145 HydrophobicContact CG-CD2 4.46Å; L133-I146 HydrophobicContact CD1-CG1 3.94Å; L133-I146 HydrophobicContact CD2-CD1 4.36Å; L133-I146 HydrophobicContact CD2-CG1 3.75Å; L133-L149 HydrophobicContact CD1-CD1 4.37Å; L133-L166 HydrophobicContact CD1-CD2 3.27Å; L133-M169 HydrophobicContact CB-SD 4.4Å; L133-M169 HydrophobicContact CD1-SD 4.27Å
134S80.5Confident84.4Confident95 Ų9558.6 Ų58.666%0.66430%0.302SS*.THydrogen-bonded Turntrans-74.9-24.2173.859.30000112.9S131 F132S131-S134 PolarHBondContact O-OG 3.19Å; F132-S134 PolarHBondContact O-N 2.96Å; F132-S134 VanDerWaalsContact O-N 3.16Å
135N81.3Confident84.4Confident106 Ų10655 Ų5557%0.56729%0.286SS*.THydrogen-bonded Turntrans-95.7-17.6-174.5-64-12.5000112.9F96 F132 L133 T137F96-N135 HydrophobicContact CE1-CB 4.48Å; F96-N135 HydrophobicContact CZ-CB 3.87Å; F132-N135 PolarHBondContact O-N 3.26Å; L133-N135 VanDerWaalsContact C-N 3.33Å; N135-T137 PolarHBondContact O-N 2.82Å
136I79Confident84.5Confident17 Ų1755 Ų559%0.08729%0.286CS..  trans-76.9114.4178.3-60.9168.5000109.2F96 I101 F132 L133 D138 K142 L145F96-I136 HydrophobicContact CE2-CD1 4.13Å; F96-I136 HydrophobicContact CE2-CG1 3.73Å; F96-I136 HydrophobicContact CZ-CG1 4.43Å; I101-I136 HydrophobicContact CD1-CD1 4.24Å; I101-I136 HydrophobicContact CD1-CG1 4.41Å; I101-I136 HydrophobicContact CD1-CG2 4.15Å; F132-I136 WeakPolarHBondContact O-CG1 3.31Å; F132-I136 PolarHBondContact O-N 3.09Å; L133-I136 HydrophobicContact CD2-CD1 4.45Å; I136-D138 WeakPolarHBondContact CG2-O 3.4Å; I136-K142 HydrophobicContact CG2-CB 3.98Å; I136-L145 HydrophobicContact CD1-CD2 3.62Å
137T75.9Confident84.5Confident141 Ų14158.9 Ų58.987%0.86530%0.304SS*.  trans-83.7-30.5175.549.50000112.6N135 K139N135-T137 PolarHBondContact O-N 2.82Å; T137-K139 PolarHBondContact O-N 3.36Å
138D80.8Confident84.5Confident76 Ų7653.1 Ų53.141%0.40628%0.283SS..  trans-72.1122.1179.318038000111.6I136 S141 K142I136-D138 WeakPolarHBondContact CG2-O 3.4Å; D138-S141 WeakPolarHBondContact OD2-CB 3.06Å; D138-S141 PolarHBondContact OD2-N 2.93Å; D138-S141 PolarHBondContact OD2-OG 3.09Å; D138-K142 WeakPolarHBondContact O-CB 3.09Å; D138-K142 PolarHBondContact O-N 2.91Å; D138-K142 VanDerWaalsContact O-N 3.12Å
139K80Confident84.6Confident128 Ų12852.3 Ų52.356%0.55728%0.278SS*.Hα-helixtrans-70-41.1-174-68.7-173.1176.5-168.70112T137 K142 I143T137-K139 PolarHBondContact O-N 3.36Å; K139-K142 WeakPolarHBondContact O-CB 3.12Å; K139-K142 PolarHBondContact O-N 3.42Å; K139-I143 WeakPolarHBondContact O-CG1 3.49Å; K139-I143 PolarHBondContact O-N 2.93Å
140E85Confident84.7Confident136 Ų13654.5 Ų54.564%0.63629%0.286SS*.Hα-helixtrans-68.1-49.6-177.2-173.7173.2-175.900110.8K142 I143 N144E140-K142 PolarHBondContact O-N 3.03Å; E140-I143 PolarHBondContact O-N 2.72Å; E140-I143 VanDerWaalsContact O-N 3.11Å; E140-N144 PolarHBondContact O-N 3.43Å
141S83.2Confident84.8Confident30 Ų3054.2 Ų54.221%0.2130%0.296CS..Hα-helixtrans-61.4-33.7176.1-57.60000112.7D138 L145D138-S141 WeakPolarHBondContact OD2-CB 3.06Å; D138-S141 PolarHBondContact OD2-N 2.93Å; D138-S141 PolarHBondContact OD2-OG 3.09Å; S141-L145 WeakPolarHBondContact O-CB 3.41Å; S141-L145 PolarHBondContact O-N 3.36Å
142K85.6Confident84.7Confident49 Ų4951.7 Ų51.721%0.21328%0.279CS..Hα-helixtrans-64.8-43.7174.1-173.5175.3-175.7169.40111.9L133 I136 D138 K139 E140 L145 I146 I173L133-K142 HydrophobicContact CD2-CG 4.07Å; L133-K142 WeakPolarHBondContact O-CE 3.39Å; L133-K142 PolarHBondContact O-NZ 3.29Å; I136-K142 HydrophobicContact CG2-CB 3.98Å; D138-K142 WeakPolarHBondContact O-CB 3.09Å; D138-K142 PolarHBondContact O-N 2.91Å; D138-K142 VanDerWaalsContact O-N 3.12Å; K139-K142 WeakPolarHBondContact O-CB 3.12Å; K139-K142 PolarHBondContact O-N 3.42Å; E140-K142 PolarHBondContact O-N 3.03Å; K142-L145 PolarHBondContact O-N 2.94Å; K142-I146 HydrophobicContact CG-CD1 3.98Å; K142-I146 WeakPolarHBondContact O-CD1 3.39Å; K142-I146 WeakPolarHBondContact O-CG1 3.33Å; K142-I146 PolarHBondContact O-N 3.49Å; K142-I173 HydrophobicContact CD-CD1 4.26Å; K142-I173 HydrophobicContact CG-CD1 4.46Å
143I88.4Confident84.7Confident13 Ų1351 Ų517%0.06728%0.276CS..Hα-helixtrans-63.1-47.6176.3-68.5166.2000110.3K139 E140 L145 I146 E147 L170 I173 E177K139-I143 WeakPolarHBondContact O-CG1 3.49Å; K139-I143 PolarHBondContact O-N 2.93Å; E140-I143 PolarHBondContact O-N 2.72Å; E140-I143 VanDerWaalsContact O-N 3.11Å; I143-L145 VanDerWaalsContact C-N 3.32Å; I143-L145 PolarHBondContact O-N 3.13Å; I143-I146 PolarHBondContact O-N 3.45Å; I143-I146 VanDerWaalsContact O-N 3.1Å; I143-E147 HydrophobicContact CG2-CG 4.33Å; I143-E147 WeakPolarHBondContact O-CG 3.48Å; I143-E147 PolarHBondContact O-N 3.25Å; I143-L170 HydrophobicContact CG1-CD1 4.45Å; I143-L170 HydrophobicContact CG2-CD1 4.14Å; I143-I173 HydrophobicContact CD1-CG2 3.9Å; I143-I173 HydrophobicContact CG1-CG2 4Å; I143-E177 WeakPolarHBondContact CD1-OE1 3.26Å
144N88.5Confident84.8Confident63 Ų6355.2 Ų55.234%0.33730%0.301SS..Hα-helixtrans-58.6-42.6179.6-70.3-18.8000112I105 E140 E147 A148I105-N144 HydrophobicContact CD1-CB 3.84Å; E140-N144 PolarHBondContact O-N 3.43Å; N144-E147 PolarHBondContact O-N 2.92Å; N144-A148 WeakPolarHBondContact O-CB 3.18Å; N144-A148 PolarHBondContact O-N 2.94Å
145L87.4Confident84.7Confident0 Ų054.3 Ų54.30%031%0.308CS..Hα-helixtrans-66.6-41.3175.7-176.759.7000112I101 L104 I105 I108 L133 I136 S141 K142 I143 A148 L149I101-L145 HydrophobicContact CG2-CB 4.4Å; L104-L145 HydrophobicContact CD2-CD1 3.99Å; L104-L145 HydrophobicContact CD2-CD2 4.07Å; L104-L145 HydrophobicContact CG-CD1 4.28Å; I105-L145 HydrophobicContact CG1-CD1 4.09Å; I108-L145 HydrophobicContact CD1-CD1 3.72Å; L133-L145 HydrophobicContact CD2-CB 4.29Å; L133-L145 HydrophobicContact CD2-CD2 3.76Å; L133-L145 HydrophobicContact CD2-CG 4.07Å; L133-L145 HydrophobicContact CG-CD2 4.46Å; I136-L145 HydrophobicContact CD1-CD2 3.62Å; S141-L145 WeakPolarHBondContact O-CB 3.41Å; S141-L145 PolarHBondContact O-N 3.36Å; K142-L145 PolarHBondContact O-N 2.94Å; I143-L145 VanDerWaalsContact C-N 3.32Å; I143-L145 PolarHBondContact O-N 3.13Å; L145-A148 PolarHBondContact O-N 2.88Å; L145-L149 HydrophobicContact CD1-CD1 4.38Å; L145-L149 HydrophobicContact CD1-CG 4.31Å; L145-L149 HydrophobicContact CG-CD1 4.16Å; L145-L149 WeakPolarHBondContact O-CB 3.28Å; L145-L149 VanDerWaalsContact O-CG 3.26Å; L145-L149 WeakPolarHBondContact O-CG 3.39Å; L145-L149 PolarHBondContact O-N 3.01Å
146I90.3Very high84.7Confident0 Ų051.2 Ų51.20%029%0.289CS..Hα-helixtrans-62.3-45176.9-70.1165.3000110.9L133 K142 I143 L149 R150 L166 M169 L170 I173L133-I146 HydrophobicContact CD1-CG1 3.94Å; L133-I146 HydrophobicContact CD2-CD1 4.36Å; L133-I146 HydrophobicContact CD2-CG1 3.75Å; K142-I146 HydrophobicContact CG-CD1 3.98Å; K142-I146 WeakPolarHBondContact O-CD1 3.39Å; K142-I146 WeakPolarHBondContact O-CG1 3.33Å; K142-I146 PolarHBondContact O-N 3.49Å; I143-I146 PolarHBondContact O-N 3.45Å; I143-I146 VanDerWaalsContact O-N 3.1Å; I146-L149 PolarHBondContact O-N 3.18Å; I146-R150 HydrophobicContact CG2-CG 4.32Å; I146-R150 WeakPolarHBondContact O-CB 3.44Å; I146-R150 VanDerWaalsContact O-CG 3.28Å; I146-R150 WeakPolarHBondContact O-CG 3.47Å; I146-R150 PolarHBondContact O-N 3.35Å; I146-L166 HydrophobicContact CG1-CD2 4.24Å; I146-L166 HydrophobicContact CG2-CB 4.3Å; I146-L166 HydrophobicContact CG2-CD2 4.45Å; I146-M169 HydrophobicContact CD1-CG 4.17Å; I146-M169 HydrophobicContact CD1-SD 4.05Å; I146-L170 HydrophobicContact CG2-CB 3.94Å; I146-L170 HydrophobicContact CG2-CD1 4.34Å; I146-L170 HydrophobicContact CG2-CD2 4.45Å; I146-L170 HydrophobicContact CG2-CG 4.48Å; I146-I173 HydrophobicContact CD1-CD1 3.69Å
147E89.7Confident84.7Confident81 Ų8156.5 Ų56.538%0.37932%0.316SS..Hα-helixtrans-64.5-41.9177.9-71.6-174.5175.200112I143 N144 L149 R150 S151 L170 R174I143-E147 HydrophobicContact CG2-CG 4.33Å; I143-E147 WeakPolarHBondContact O-CG 3.48Å; I143-E147 PolarHBondContact O-N 3.25Å; N144-E147 PolarHBondContact O-N 2.92Å; E147-L149 PolarHBondContact O-N 3.43Å; E147-R150 PolarHBondContact O-N 3.4Å; E147-S151 WeakPolarHBondContact O-CB 3.31Å; E147-S151 PolarHBondContact O-N 3.27Å; E147-L170 HydrophobicContact CG-CD2 4.45Å; E147-R174 IonicContact OE1-NH2 3.45Å
148A88Confident84.9Confident6 Ų652 Ų525%0.0528%0.283CS..Hα-helixtrans-58.7-47.1173.600000111.9I105 N144 L145 S151 V152I105-A148 HydrophobicContact CB-CB 4.42Å; I105-A148 HydrophobicContact CG1-CB 4.02Å; I105-A148 HydrophobicContact CG2-CB 3.75Å; N144-A148 WeakPolarHBondContact O-CB 3.18Å; N144-A148 PolarHBondContact O-N 2.94Å; L145-A148 PolarHBondContact O-N 2.88Å; A148-S151 WeakPolarHBondContact O-CB 3.41Å; A148-S151 PolarHBondContact O-N 2.94Å; A148-V152 WeakPolarHBondContact O-CB 3.48Å; A148-V152 WeakPolarHBondContact O-CG2 3.49Å; A148-V152 PolarHBondContact O-N 3.25Å
149L88.8Confident85.1Confident0 Ų048.4 Ų48.40%026%0.264CS..Hα-helixtrans-66-39.7177.8-69171.9000112.2I108 V126 C129 L133 L145 I146 E147 V152 A153 L166I108-L149 HydrophobicContact CD1-CD2 4.13Å; I108-L149 HydrophobicContact CG2-CD2 4.37Å; V126-L149 HydrophobicContact CG2-CD2 4.46Å; C129-L149 HydrophobicContact CB-CD1 3.77Å; C129-L149 HydrophobicContact CB-CD2 3.67Å; C129-L149 HydrophobicContact CB-CG 4.33Å; L133-L149 HydrophobicContact CD1-CD1 4.37Å; L145-L149 HydrophobicContact CD1-CD1 4.38Å; L145-L149 HydrophobicContact CD1-CG 4.31Å; L145-L149 HydrophobicContact CG-CD1 4.16Å; L145-L149 WeakPolarHBondContact O-CB 3.28Å; L145-L149 VanDerWaalsContact O-CG 3.26Å; L145-L149 WeakPolarHBondContact O-CG 3.39Å; L145-L149 PolarHBondContact O-N 3.01Å; I146-L149 PolarHBondContact O-N 3.18Å; E147-L149 PolarHBondContact O-N 3.43Å; L149-V152 PolarHBondContact O-N 3.22Å; L149-A153 VanDerWaalsContact O-CB 3.3Å; L149-A153 WeakPolarHBondContact O-CB 3.13Å; L149-A153 PolarHBondContact O-N 3.44Å; L149-L166 HydrophobicContact CB-CD1 3.51Å; L149-L166 HydrophobicContact CD1-CD1 4.13Å; L149-L166 HydrophobicContact CD1-CD2 4.06Å; L149-L166 HydrophobicContact CG-CD1 4.45Å
150R87.8Confident85.2Confident45 Ų4544.2 Ų44.217%0.1725%0.247CC..Hα-helixtrans-61.6-45.4174.8-75.7175.574.6-134.80.1111.1I146 E147 A153 V154 L166 T167I146-R150 HydrophobicContact CG2-CG 4.32Å; I146-R150 WeakPolarHBondContact O-CB 3.44Å; I146-R150 VanDerWaalsContact O-CG 3.28Å; I146-R150 WeakPolarHBondContact O-CG 3.47Å; I146-R150 PolarHBondContact O-N 3.35Å; E147-R150 PolarHBondContact O-N 3.4Å; R150-A153 PolarHBondContact O-N 2.79Å; R150-V154 WeakPolarHBondContact O-CG2 3.34Å; R150-V154 PolarHBondContact O-N 3.03Å; R150-L166 HydrophobicContact CG-CB 4.07Å; R150-T167 PolarHBondContact NE-OG1 3.14Å; R150-T167 VanDerWaalsContact NE-OG1 3.08Å
151S87.9Confident85.3Confident75 Ų7538.4 Ų38.452%0.52422%0.22SC..Hα-helixtrans-59-46176.5179.80000111.6E147 A148 A153 V154E147-S151 WeakPolarHBondContact O-CB 3.31Å; E147-S151 PolarHBondContact O-N 3.27Å; A148-S151 WeakPolarHBondContact O-CB 3.41Å; A148-S151 PolarHBondContact O-N 2.94Å; S151-A153 VanDerWaalsContact C-N 3.33Å; S151-A153 PolarHBondContact O-N 3Å; S151-V154 PolarHBondContact O-N 3.31Å
152V86Confident85.4Confident7 Ų737.6 Ų37.64%0.04221%0.213CC..Hα-helixtrans-65-33.6179.4157.90000113.2I108 T112 M122 A148 L149 K156I108-V152 HydrophobicContact CG2-CB 4.47Å; I108-V152 HydrophobicContact CG2-CG1 4.28Å; I108-V152 HydrophobicContact CG2-CG2 3.8Å; T112-V152 HydrophobicContact CG2-CB 4.16Å; T112-V152 HydrophobicContact CG2-CG1 3.62Å; T112-V152 HydrophobicContact CG2-CG2 4.08Å; T112-V152 WeakPolarHBondContact OG1-CG1 3.48Å; M122-V152 HydrophobicContact CE-CG1 3.37Å; A148-V152 WeakPolarHBondContact O-CB 3.48Å; A148-V152 WeakPolarHBondContact O-CG2 3.49Å; A148-V152 PolarHBondContact O-N 3.25Å; L149-V152 PolarHBondContact O-N 3.22Å; V152-K156 WeakPolarHBondContact O-CD 3.17Å; V152-K156 PolarHBondContact O-NZ 3.42Å
153A84.4Confident85.5Confident2 Ų237.9 Ų37.92%0.01721%0.213CC..Hα-helixtrans-87-9.5-178.800000114.2L149 R150 S151 G155 K156 V159 R163L149-A153 VanDerWaalsContact O-CB 3.3Å; L149-A153 WeakPolarHBondContact O-CB 3.13Å; L149-A153 PolarHBondContact O-N 3.44Å; R150-A153 PolarHBondContact O-N 2.79Å; S151-A153 VanDerWaalsContact C-N 3.33Å; S151-A153 PolarHBondContact O-N 3Å; A153-G155 PolarHBondContact O-N 3.32Å; A153-K156 PolarHBondContact O-N 3.47Å; A153-V159 HydrophobicContact CB-CB 4.31Å; A153-V159 HydrophobicContact CB-CG1 4.11Å; A153-R163 HydrophobicContact CB-CB 3.82Å; A153-R163 HydrophobicContact CB-CG 4.2Å
154V82.4Confident85.5Confident89 Ų8937.3 Ų37.354%0.53921%0.21SC..THydrogen-bonded Turntrans-59.3129.6178.7177.30000110.9R150 S151 K156R150-V154 WeakPolarHBondContact O-CG2 3.34Å; R150-V154 PolarHBondContact O-N 3.03Å; S151-V154 PolarHBondContact O-N 3.31Å; V154-K156 VanDerWaalsContact C-N 3.28Å; V154-K156 PolarHBondContact O-N 3.37Å
155G78.2Confident85.5Confident77 Ų7738.7 Ų38.779%0.79421%0.21SC*.THydrogen-bonded Turntrans78.50.9177.100000115.4A153A153-G155 PolarHBondContact O-N 3.32Å
156K81.9Confident85.6Confident41 Ų4138.7 Ų38.718%0.17821%0.21CC..  trans-105.799.4-177.5-67.8171.5-1791690111M122 V152 A153 V154 Y158 V159 E160M122-K156 HydrophobicContact CE-CD 3.51Å; M122-K156 HydrophobicContact SD-CD 3.65Å; M122-K156 PolarHBondContact SD-NZ 3.02Å; M122-K156 VanDerWaalsContact SD-NZ 3.37Å; V152-K156 WeakPolarHBondContact O-CD 3.17Å; V152-K156 PolarHBondContact O-NZ 3.42Å; A153-K156 PolarHBondContact O-N 3.47Å; V154-K156 VanDerWaalsContact C-N 3.28Å; V154-K156 PolarHBondContact O-N 3.37Å; K156-Y158 HydrophobicContact CB-CD1 4.41Å; K156-Y158 HydrophobicContact CB-CE1 3.95Å; K156-Y158 HydrophobicContact CB-CE2 4.49Å; K156-Y158 WeakPolarHBondContact CD-OH 3.24Å; K156-Y158 HydrophobicContact CG-CE1 4.17Å; K156-Y158 PolarHBondContact O-N 3Å; K156-Y158 VanDerWaalsContact O-N 3.07Å; K156-V159 PolarHBondContact O-N 3Å; K156-E160 PolarHBondContact O-N 3.01Å
157I78.7Confident85.6Confident127 Ų12738.7 Ų38.765%0.65121%0.211SC*.G310 helixtrans-54.3-29.7-177.859.9173.3000114.1V159I157-V159 VanDerWaalsContact C-N 3.33Å; I157-V159 PolarHBondContact O-N 3Å
158Y80.7Confident85.6Confident47 Ų4735.9 Ų35.918%0.18420%0.199CC..G310 helixtrans-81.3-8.9-177.256.4-91.1000114K119 M122 T123 K156K119-Y158 HydrophobicContact CB-CD2 4.23Å; K119-Y158 HydrophobicContact CB-CE2 4.34Å; K119-Y158 HydrophobicContact CB-CG 4.33Å; K119-Y158 HydrophobicContact CD-CD1 3.93Å; K119-Y158 HydrophobicContact CD-CE1 4.29Å; K119-Y158 HydrophobicContact CD-CG 4.31Å; K119-Y158 HydrophobicContact CG-CD1 4Å; K119-Y158 HydrophobicContact CG-CE1 3.94Å; K119-Y158 HydrophobicContact CG-CE2 4.46Å; K119-Y158 HydrophobicContact CG-CG 4.3Å; M122-Y158 HydrophobicContact CB-CE2 4.17Å; M122-Y158 HydrophobicContact CG-CE2 4.18Å; M122-Y158 HydrophobicContact SD-CE2 3.89Å; M122-Y158 PolarHBondContact SD-OH 2.92Å; T123-Y158 WeakPolarHBondContact OG1-CD2 3.4Å; K156-Y158 HydrophobicContact CB-CD1 4.41Å; K156-Y158 HydrophobicContact CB-CE1 3.95Å; K156-Y158 HydrophobicContact CB-CE2 4.49Å; K156-Y158 WeakPolarHBondContact CD-OH 3.24Å; K156-Y158 HydrophobicContact CG-CE1 4.17Å; K156-Y158 PolarHBondContact O-N 3Å; K156-Y158 VanDerWaalsContact O-N 3.07Å
159V84.4Confident85.7Confident0 Ų037.9 Ų37.90%021%0.208CC..G310 helixtrans-120.817.6175.9-1620000110.9M122 V126 A153 K156 I157 V161 E162 R163M122-V159 HydrophobicContact CE-CG2 4.4Å; V126-V159 HydrophobicContact CB-CG1 3.91Å; V126-V159 HydrophobicContact CG1-CG1 3.6Å; V126-V159 HydrophobicContact CG2-CG1 4.03Å; A153-V159 HydrophobicContact CB-CB 4.31Å; A153-V159 HydrophobicContact CB-CG1 4.11Å; K156-V159 PolarHBondContact O-N 3Å; I157-V159 VanDerWaalsContact C-N 3.33Å; I157-V159 PolarHBondContact O-N 3Å; V159-V161 PolarHBondContact O-N 3.34Å; V159-E162 HydrophobicContact CG1-CB 3.88Å; V159-E162 HydrophobicContact CG1-CG 4.43Å; V159-R163 WeakPolarHBondContact O-CB 3.34Å; V159-R163 PolarHBondContact O-N 3.26Å
160E82.8Confident85.7Confident40 Ų4037.9 Ų37.919%0.18721%0.208CC..Hα-helixtrans-69.3-34.2-173.3-165.3-179.5172.100112.2K156 R163 A164 S194 C195K156-E160 PolarHBondContact O-N 3.01Å; E160-R163 PolarHBondContact O-N 3.4Å; E160-A164 WeakPolarHBondContact O-CB 3.31Å; E160-A164 PolarHBondContact O-N 3.11Å; E160-S194 PolarHBondContact OE1-OG 2.99Å; E160-C195 HydrophobicContact CG-CB 4.48Å; E160-C195 PolarHBondContact OE1-SG 3.03Å
161V86Confident85.7Confident14 Ų1435.8 Ų35.89%0.08520%0.2CC..Hα-helixtrans-67-46.9178-179.90000110.5V159 R163 A164 R165 S197 M198V159-V161 PolarHBondContact O-N 3.34Å; V161-R163 VanDerWaalsContact C-N 3.32Å; V161-R163 PolarHBondContact O-N 3.43Å; V161-A164 WeakPolarHBondContact O-CB 3.4Å; V161-A164 PolarHBondContact O-N 3.5Å; V161-R165 WeakPolarHBondContact O-CG 3.43Å; V161-R165 PolarHBondContact O-N 3Å; V161-S197 WeakPolarHBondContact CG2-OG 3.2Å; V161-M198 HydrophobicContact CG2-CB 4.4Å
162E86.2Confident85.8Confident13 Ų1337.3 Ų37.36%0.06120%0.197CC..Hα-helixtrans-62.7-42.1177-66.679.6178.800110.1V126 R127 V159 A164 R165 L166V126-E162 HydrophobicContact CG1-CB 3.93Å; V126-E162 HydrophobicContact CG1-CG 4.34Å; R127-E162 HydrophobicContact CG-CG 4.21Å; R127-E162 IonicContact CZ-OE1 3.82Å; R127-E162 IonicContact NE-OE1 2.85Å; R127-E162 PolarHBondContact NE-OE1 2.97Å; R127-E162 IonicContact NH2-OE1 2.89Å; V159-E162 HydrophobicContact CG1-CB 3.88Å; V159-E162 HydrophobicContact CG1-CG 4.43Å; E162-A164 PolarHBondContact O-N 3.34Å; E162-R165 PolarHBondContact O-N 3.37Å; E162-L166 WeakPolarHBondContact O-CB 3.32Å; E162-L166 WeakPolarHBondContact O-CG 3.44Å; E162-L166 PolarHBondContact O-N 3.5Å
163R87.5Confident86Confident56 Ų5637.8 Ų37.821%0.21120%0.199CC..Hα-helixtrans-58.9-44172.5-177.7-179.9170.4-90.5-2.1112.4A153 V159 E160 V161 L166 T167A153-R163 HydrophobicContact CB-CB 3.82Å; A153-R163 HydrophobicContact CB-CG 4.2Å; V159-R163 WeakPolarHBondContact O-CB 3.34Å; V159-R163 PolarHBondContact O-N 3.26Å; E160-R163 PolarHBondContact O-N 3.4Å; V161-R163 VanDerWaalsContact C-N 3.32Å; V161-R163 PolarHBondContact O-N 3.43Å; R163-L166 PolarHBondContact O-N 3.27Å; R163-T167 WeakPolarHBondContact O-CB 3.35Å; R163-T167 PolarHBondContact O-N 2.98Å; R163-T167 PolarHBondContact O-OG1 3.29Å
164A87.8Confident86.2Confident0 Ų040.1 Ų40.10%021%0.208CC..Hα-helixtrans-61-48.917800000110.6E160 V161 E162 L166 T167 V168 L190 M198E160-A164 WeakPolarHBondContact O-CB 3.31Å; E160-A164 PolarHBondContact O-N 3.11Å; V161-A164 WeakPolarHBondContact O-CB 3.4Å; V161-A164 PolarHBondContact O-N 3.5Å; E162-A164 PolarHBondContact O-N 3.34Å; A164-L166 PolarHBondContact O-N 2.99Å; A164-T167 WeakPolarHBondContact O-CB 3.35Å; A164-T167 PolarHBondContact O-N 3.42Å; A164-T167 VanDerWaalsContact O-N 3.1Å; A164-V168 WeakPolarHBondContact O-CG2 3.49Å; A164-V168 PolarHBondContact O-N 3Å; A164-L190 HydrophobicContact CB-CD1 4.04Å; A164-L190 HydrophobicContact CB-CD2 3.95Å; A164-M198 HydrophobicContact CB-SD 3.98Å
165R89.6Confident86.4Confident92 Ų9238.1 Ų38.135%0.34719%0.192SC..Hα-helixtrans-61.1-41.7178-70.1173.2178.3175.5-1.9112.8Y130 V161 E162 T167 V168 M169 E202Y130-R165 HydrophobicContact CE2-CB 4.09Å; V161-R165 WeakPolarHBondContact O-CG 3.43Å; V161-R165 PolarHBondContact O-N 3Å; E162-R165 PolarHBondContact O-N 3.37Å; R165-T167 VanDerWaalsContact C-N 3.33Å; R165-V168 PolarHBondContact O-N 3.48Å; R165-M169 WeakPolarHBondContact O-CB 3.08Å; R165-M169 PolarHBondContact O-N 3.2Å; R165-E202 IonicContact CZ-OE2 3.73Å; R165-E202 IonicContact NE-OE2 3.93Å; R165-E202 PolarHBondContact NE-OE2 3.01Å; R165-E202 VanDerWaalsContact NH2-CD 3.34Å; R165-E202 IonicContact NH2-OE1 3.1Å; R165-E202 PolarHBondContact NH2-OE1 3.45Å; R165-E202 IonicContact NH2-OE2 3.88Å; R165-E202 PolarHBondContact NH2-OE2 3.35Å
166L88.8Confident86.8Confident0 Ų041.2 Ų41.20%019%0.186CC..Hα-helixtrans-62.8-38.9173.7-72.8169000112.2Y130 L133 I146 L149 R150 E162 R163 A164 M169 L170Y130-L166 HydrophobicContact CD2-CD2 3.92Å; Y130-L166 HydrophobicContact CD2-CG 4.28Å; Y130-L166 HydrophobicContact CE2-CD2 4.46Å; L133-L166 HydrophobicContact CD1-CD2 3.27Å; I146-L166 HydrophobicContact CG1-CD2 4.24Å; I146-L166 HydrophobicContact CG2-CB 4.3Å; I146-L166 HydrophobicContact CG2-CD2 4.45Å; L149-L166 HydrophobicContact CB-CD1 3.51Å; L149-L166 HydrophobicContact CD1-CD1 4.13Å; L149-L166 HydrophobicContact CD1-CD2 4.06Å; L149-L166 HydrophobicContact CG-CD1 4.45Å; R150-L166 HydrophobicContact CG-CB 4.07Å; E162-L166 WeakPolarHBondContact O-CB 3.32Å; E162-L166 WeakPolarHBondContact O-CG 3.44Å; E162-L166 PolarHBondContact O-N 3.5Å; R163-L166 PolarHBondContact O-N 3.27Å; A164-L166 PolarHBondContact O-N 2.99Å; L166-M169 PolarHBondContact O-N 3.26Å; L166-L170 WeakPolarHBondContact O-CB 3.47Å; L166-L170 PolarHBondContact O-N 3.29Å
167T89.8Confident87.1Confident1 Ų143.1 Ų43.11%0.00620%0.196CC..Hα-helixtrans-69.4-39.2179.3-56.70000111.4R150 R163 A164 R165 L170 S171 I186 L190R150-T167 PolarHBondContact NE-OG1 3.14Å; R150-T167 VanDerWaalsContact NE-OG1 3.08Å; R163-T167 WeakPolarHBondContact O-CB 3.35Å; R163-T167 PolarHBondContact O-N 2.98Å; R163-T167 PolarHBondContact O-OG1 3.29Å; A164-T167 WeakPolarHBondContact O-CB 3.35Å; A164-T167 PolarHBondContact O-N 3.42Å; A164-T167 VanDerWaalsContact O-N 3.1Å; R165-T167 VanDerWaalsContact C-N 3.33Å; T167-L170 PolarHBondContact O-N 2.87Å; T167-S171 WeakPolarHBondContact O-CB 3.22Å; T167-S171 PolarHBondContact O-N 3.09Å; T167-I186 HydrophobicContact CG2-CG2 3.67Å; T167-I186 WeakPolarHBondContact CG2-O 3.42Å; T167-L190 HydrophobicContact CG2-CB 4.33Å; T167-L190 HydrophobicContact CG2-CD2 4.37Å
168V90.5Very high87.5Confident22 Ų2239.6 Ų39.613%0.13319%0.191CC..Hα-helixtrans-63.3-42.9171.9174.90000111A164 R165 S171 K172 L187 L190 V206A164-V168 WeakPolarHBondContact O-CG2 3.49Å; A164-V168 PolarHBondContact O-N 3Å; R165-V168 PolarHBondContact O-N 3.48Å; V168-S171 WeakPolarHBondContact O-CB 3.48Å; V168-S171 PolarHBondContact O-N 3.44Å; V168-K172 WeakPolarHBondContact O-CG 3.48Å; V168-K172 PolarHBondContact O-N 3.32Å; V168-L187 HydrophobicContact CG2-CD1 4Å; V168-L190 HydrophobicContact CG2-CD2 4.41Å; V168-V206 HydrophobicContact CG2-CB 4.36Å; V168-V206 HydrophobicContact CG2-CG1 3.94Å; V168-V206 HydrophobicContact CG2-CG2 3.45Å; V168-V206 VanDerWaalsContact CG2-CG2 3.45Å
169M88.8Confident87.9Confident48 Ų4840.5 Ų40.524%0.23620%0.199CC..Hα-helixtrans-62.8-43.5176.9-172.1176.6-67.800111.6Y130 L133 I146 R165 L166 S171 K172 I173Y130-M169 HydrophobicContact CE2-CE 4.17Å; L133-M169 HydrophobicContact CB-SD 4.4Å; L133-M169 HydrophobicContact CD1-SD 4.27Å; I146-M169 HydrophobicContact CD1-CG 4.17Å; I146-M169 HydrophobicContact CD1-SD 4.05Å; R165-M169 WeakPolarHBondContact O-CB 3.08Å; R165-M169 PolarHBondContact O-N 3.2Å; L166-M169 PolarHBondContact O-N 3.26Å; M169-S171 PolarHBondContact O-N 3.15Å; M169-K172 PolarHBondContact O-N 2.96Å; M169-I173 HydrophobicContact CG-CD1 4.19Å; M169-I173 WeakPolarHBondContact O-CG1 3.29Å; M169-I173 PolarHBondContact O-N 3.47Å
170L88.6Confident88.1Confident0 Ų043 Ų430%021%0.212CC..Hα-helixtrans-61.4-43.9175.7-173.161.8000111.9I143 I146 E147 L166 T167 K172 I173 R174 I186I143-L170 HydrophobicContact CG1-CD1 4.45Å; I143-L170 HydrophobicContact CG2-CD1 4.14Å; I146-L170 HydrophobicContact CG2-CB 3.94Å; I146-L170 HydrophobicContact CG2-CD1 4.34Å; I146-L170 HydrophobicContact CG2-CD2 4.45Å; I146-L170 HydrophobicContact CG2-CG 4.48Å; E147-L170 HydrophobicContact CG-CD2 4.45Å; L166-L170 WeakPolarHBondContact O-CB 3.47Å; L166-L170 PolarHBondContact O-N 3.29Å; T167-L170 PolarHBondContact O-N 2.87Å; L170-K172 VanDerWaalsContact C-N 3.31Å; L170-K172 PolarHBondContact O-N 3.32Å; L170-I173 PolarHBondContact O-N 3.3Å; L170-R174 WeakPolarHBondContact O-CG 3.42Å; L170-R174 PolarHBondContact O-N 3.11Å; L170-I186 HydrophobicContact CD2-CD1 4.03Å; L170-I186 HydrophobicContact CD2-CG2 4.15Å; L170-I186 HydrophobicContact CG-CD1 4.23Å
171S89.2Confident88.4Confident0 Ų048.1 Ų48.10%024%0.236CC..Hα-helixtrans-56.9-45175.8-177.80000111.6T167 V168 M169 R174 E175 A183T167-S171 WeakPolarHBondContact O-CB 3.22Å; T167-S171 PolarHBondContact O-N 3.09Å; V168-S171 WeakPolarHBondContact O-CB 3.48Å; V168-S171 PolarHBondContact O-N 3.44Å; M169-S171 PolarHBondContact O-N 3.15Å; S171-R174 PolarHBondContact O-N 3.28Å; S171-E175 WeakPolarHBondContact O-CB 3.36Å; S171-E175 PolarHBondContact O-N 2.89Å; S171-A183 WeakPolarHBondContact O-CB 3.2Å; S171-A183 PolarHBondContact OG-O 3.43Å
172K90.5Very high88.5Confident107 Ų10752 Ų5247%0.46525%0.253SS..Hα-helixtrans-63.5-40.8177.2-71.6178.7179-1750112.7V168 M169 L170 E175 E176V168-K172 WeakPolarHBondContact O-CG 3.48Å; V168-K172 PolarHBondContact O-N 3.32Å; M169-K172 PolarHBondContact O-N 2.96Å; L170-K172 VanDerWaalsContact C-N 3.31Å; L170-K172 PolarHBondContact O-N 3.32Å; K172-E175 WeakPolarHBondContact O-CB 3.47Å; K172-E175 PolarHBondContact O-N 2.97Å; K172-E176 WeakPolarHBondContact O-CG 3.37Å; K172-E176 PolarHBondContact O-N 3.24Å
173I88.8Confident88.6Confident17 Ų1751.4 Ų51.49%0.08725%0.25CS..Hα-helixtrans-63.2-44.5176.7-66.3165.8000110.5K142 I143 I146 M169 L170 E175 E176 E177K142-I173 HydrophobicContact CD-CD1 4.26Å; K142-I173 HydrophobicContact CG-CD1 4.46Å; I143-I173 HydrophobicContact CD1-CG2 3.9Å; I143-I173 HydrophobicContact CG1-CG2 4Å; I146-I173 HydrophobicContact CD1-CD1 3.69Å; M169-I173 HydrophobicContact CG-CD1 4.19Å; M169-I173 WeakPolarHBondContact O-CG1 3.29Å; M169-I173 PolarHBondContact O-N 3.47Å; L170-I173 PolarHBondContact O-N 3.3Å; I173-E175 VanDerWaalsContact C-N 3.32Å; I173-E175 PolarHBondContact O-N 3.44Å; I173-E176 PolarHBondContact O-N 3.14Å; I173-E177 WeakPolarHBondContact O-CG 3.45Å; I173-E177 PolarHBondContact O-N 3.02Å; I173-E177 VanDerWaalsContact O-N 3.07Å
174R88.2Confident88.7Confident51 Ų5149.6 Ų49.619%0.19224%0.244CC..Hα-helixtrans-65.9-33.4176.7-66.2-58.3-174.7177.24.2112.9E147 L170 S171 E177 G178 N179 A183 I186E147-R174 IonicContact OE1-NH2 3.45Å; L170-R174 WeakPolarHBondContact O-CG 3.42Å; L170-R174 PolarHBondContact O-N 3.11Å; S171-R174 PolarHBondContact O-N 3.28Å; R174-E177 VanDerWaalsContact CD-OE2 3.24Å; R174-E177 WeakPolarHBondContact CD-OE2 3.49Å; R174-E177 IonicContact CZ-OE2 2.83Å; R174-E177 IonicContact NE-OE2 3.35Å; R174-E177 IonicContact NH1-OE2 2.72Å; R174-E177 PolarHBondContact NH1-OE2 3.17Å; R174-E177 PolarHBondContact O-N 2.86Å; R174-G178 PolarHBondContact O-N 2.96Å; R174-N179 PolarHBondContact O-N 3.44Å; R174-A183 HydrophobicContact CB-CB 3.91Å; R174-I186 HydrophobicContact CG-CD1 4.16Å
175E86.5Confident88.7Confident47 Ų4752 Ų5222%0.2226%0.264CS..Hα-helixtrans-65.4-42.7172.5-177.2-175.8151.400111.8S171 K172 I173 E177 G178 L180 A183 H209 R212 L213S171-E175 WeakPolarHBondContact O-CB 3.36Å; S171-E175 PolarHBondContact O-N 2.89Å; K172-E175 WeakPolarHBondContact O-CB 3.47Å; K172-E175 PolarHBondContact O-N 2.97Å; I173-E175 VanDerWaalsContact C-N 3.32Å; I173-E175 PolarHBondContact O-N 3.44Å; E175-E177 PolarHBondContact O-N 3.3Å; E175-G178 PolarHBondContact O-N 3.47Å; E175-L180 HydrophobicContact CB-CD2 4.44Å; E175-L180 HydrophobicContact CG-CD2 3.75Å; E175-A183 HydrophobicContact CB-CB 4.4Å; E175-H209 IonicContact OE2-CE1 3.45Å; E175-H209 PolarHBondContact OE2-CE1 3.31Å; E175-H209 IonicContact OE2-NE2 3.43Å; E175-R212 IonicContact OE1-CZ 3.56Å; E175-R212 IonicContact OE1-NH1 3.97Å; E175-R212 IonicContact OE1-NH2 3.09Å; E175-R212 PolarHBondContact OE1-NH2 2.91Å; E175-R212 IonicContact OE2-CZ 3.38Å; E175-R212 IonicContact OE2-NH2 2.84Å; E175-R212 PolarHBondContact OE2-NH2 2.89Å; E175-L213 HydrophobicContact CG-CD2 4.42Å
176E87.9Confident88.7Confident143 Ų14349.1 Ų49.167%0.66826%0.255SS*.Hα-helixtrans-63.9-28.3174.4-71.9173-164.700112.8K172 I173 G178K172-E176 WeakPolarHBondContact O-CG 3.37Å; K172-E176 PolarHBondContact O-N 3.24Å; I173-E176 PolarHBondContact O-N 3.14Å; E176-G178 PolarHBondContact O-N 2.93Å
177E88.2Confident88.7Confident80 Ų8049.1 Ų49.137%0.37426%0.255SS..THydrogen-bonded Turntrans-74.2-11.1172-71.1174176.400113.1I143 I173 R174 E175 N179I143-E177 WeakPolarHBondContact CD1-OE1 3.26Å; I173-E177 WeakPolarHBondContact O-CG 3.45Å; I173-E177 PolarHBondContact O-N 3.02Å; I173-E177 VanDerWaalsContact O-N 3.07Å; R174-E177 VanDerWaalsContact CD-OE2 3.24Å; R174-E177 WeakPolarHBondContact CD-OE2 3.49Å; R174-E177 IonicContact CZ-OE2 2.83Å; R174-E177 IonicContact NE-OE2 3.35Å; R174-E177 IonicContact NH1-OE2 2.72Å; R174-E177 PolarHBondContact NH1-OE2 3.17Å; R174-E177 PolarHBondContact O-N 2.86Å; E175-E177 PolarHBondContact O-N 3.3Å; E177-N179 VanDerWaalsContact C-N 3.34Å
178G85.8Confident88.5Confident53 Ų5351 Ų5155%0.54627%0.265SS..THydrogen-bonded Turntrans85.81.1-174.800000114.2R174 E175 E176 L180R174-G178 PolarHBondContact O-N 2.96Å; E175-G178 PolarHBondContact O-N 3.47Å; E176-G178 PolarHBondContact O-N 2.93Å; G178-L180 VanDerWaalsContact C-N 3.29Å; G178-L180 PolarHBondContact O-N 3.42Å
179N90.1Very high88.2Confident66 Ų6656 Ų5635%0.35329%0.291SS..  trans-85.267178.8-71.7-1.9000111.2R174 E177 E181 E182 A183R174-N179 PolarHBondContact O-N 3.44Å; E177-N179 VanDerWaalsContact C-N 3.34Å; N179-E181 VanDerWaalsContact C-N 3.29Å; N179-E181 PolarHBondContact O-N 3.27Å; N179-E182 HydrophobicContact CB-CB 4.26Å; N179-E182 HydrophobicContact CB-CG 4.38Å; N179-E182 PolarHBondContact ND2-OE2 3.43Å; N179-E182 PolarHBondContact O-N 3.38Å; N179-A183 PolarHBondContact O-N 3.33Å; N179-A183 VanDerWaalsContact O-N 3.08Å
180L88.4Confident88Confident52 Ų5253.9 Ų53.927%0.27228%0.28SS..Hα-helixtrans-59.8-36.6-177.4-62.8-178.6000113E175 G178 K184 L213 L217E175-L180 HydrophobicContact CB-CD2 4.44Å; E175-L180 HydrophobicContact CG-CD2 3.75Å; G178-L180 VanDerWaalsContact C-N 3.29Å; G178-L180 PolarHBondContact O-N 3.42Å; L180-K184 VanDerWaalsContact O-CB 3.31Å; L180-K184 WeakPolarHBondContact O-CB 3.44Å; L180-K184 PolarHBondContact O-N 2.87Å; L180-L213 HydrophobicContact CD2-CD2 4.33Å; L180-L217 HydrophobicContact CB-CD1 4.15Å; L180-L217 HydrophobicContact CB-CD2 3.8Å; L180-L217 HydrophobicContact CB-CG 4.06Å; L180-L217 HydrophobicContact CD1-CD2 4.46Å
181E89.3Confident87.7Confident149 Ų14960 Ų6070%0.69631%0.309SS*.Hα-helixtrans-66.2-44.1-179.2-67.8-170.6169.200112.4N179 K184 A185 L217N179-E181 VanDerWaalsContact C-N 3.29Å; N179-E181 PolarHBondContact O-N 3.27Å; E181-K184 PolarHBondContact O-N 3.01Å; E181-A185 WeakPolarHBondContact O-CB 3.03Å; E181-A185 PolarHBondContact O-N 3.03Å; E181-L217 HydrophobicContact CG-CD1 4.22Å; E181-L217 HydrophobicContact CG-CD2 3.9Å
182E88.7Confident87.3Confident95 Ų9560 Ų6044%0.44431%0.309SS..Hα-helixtrans-67-43.9177.1-64.6-177161.400110.9N179 K184 A185 I186N179-E182 HydrophobicContact CB-CB 4.26Å; N179-E182 HydrophobicContact CB-CG 4.38Å; N179-E182 PolarHBondContact ND2-OE2 3.43Å; N179-E182 PolarHBondContact O-N 3.38Å; E182-K184 VanDerWaalsContact C-N 3.32Å; E182-K184 PolarHBondContact O-N 2.92Å; E182-A185 PolarHBondContact O-N 3.4Å; E182-I186 WeakPolarHBondContact O-CB 3.21Å; E182-I186 WeakPolarHBondContact O-CD1 3.48Å; E182-I186 VanDerWaalsContact O-CG1 3.27Å; E182-I186 WeakPolarHBondContact O-CG1 3.41Å; E182-I186 PolarHBondContact O-N 3.25Å
183A88.6Confident86.6Confident0 Ų058.3 Ų58.30%030%0.303CS..Hα-helixtrans-55.6-48.8175.100000111S171 R174 E175 N179 A185 I186 L187 L213S171-A183 WeakPolarHBondContact O-CB 3.2Å; S171-A183 PolarHBondContact OG-O 3.43Å; R174-A183 HydrophobicContact CB-CB 3.91Å; E175-A183 HydrophobicContact CB-CB 4.4Å; N179-A183 PolarHBondContact O-N 3.33Å; N179-A183 VanDerWaalsContact O-N 3.08Å; A183-A185 PolarHBondContact O-N 3.48Å; A183-I186 PolarHBondContact O-N 3.4Å; A183-L187 WeakPolarHBondContact O-CB 3.31Å; A183-L187 PolarHBondContact O-N 2.88Å; A183-L213 HydrophobicContact CB-CD1 4.39Å
184K87.9Confident86.1Confident19 Ų1960.9 Ų60.98%0.08332%0.322CS..Hα-helixtrans-60.4-46.2176.4174.6-179.1163.3-165.90112.2L180 E181 E182 L187 L188 L213 L217 D219L180-K184 VanDerWaalsContact O-CB 3.31Å; L180-K184 WeakPolarHBondContact O-CB 3.44Å; L180-K184 PolarHBondContact O-N 2.87Å; E181-K184 PolarHBondContact O-N 3.01Å; E182-K184 VanDerWaalsContact C-N 3.32Å; E182-K184 PolarHBondContact O-N 2.92Å; K184-L187 PolarHBondContact O-N 3.27Å; K184-L188 HydrophobicContact CD-CD1 4.23Å; K184-L188 HydrophobicContact CG-CD1 3.58Å; K184-L188 HydrophobicContact CG-CG 4.08Å; K184-L188 WeakPolarHBondContact O-CB 3.31Å; K184-L188 VanDerWaalsContact O-CG 3.25Å; K184-L188 WeakPolarHBondContact O-CG 3.49Å; K184-L188 PolarHBondContact O-N 3.01Å; K184-L213 HydrophobicContact CB-CB 4.28Å; K184-L217 HydrophobicContact CB-CD1 3.85Å; K184-L217 HydrophobicContact CD-CD1 3.4Å; K184-L217 HydrophobicContact CG-CD1 4.28Å; K184-D219 VanDerWaalsContact NZ-CG 3.31Å; K184-D219 IonicContact NZ-OD2 3.56Å; K184-D219 PolarHBondContact NZ-OD2 3.34Å
185A89.7Confident85.5Confident51 Ų5158.5 Ų58.542%0.42131%0.313SS..Hα-helixtrans-61.2-48.9-179.400000111.5E181 E182 A183 L187 L188 D189E181-A185 WeakPolarHBondContact O-CB 3.03Å; E181-A185 PolarHBondContact O-N 3.03Å; E182-A185 PolarHBondContact O-N 3.4Å; A183-A185 PolarHBondContact O-N 3.48Å; A185-L187 VanDerWaalsContact C-N 3.27Å; A185-L187 PolarHBondContact O-N 3.35Å; A185-L188 PolarHBondContact O-N 3.24Å; A185-D189 PolarHBondContact O-N 3.04Å
186I88.8Confident85Confident30 Ų3059.7 Ų59.715%0.15434%0.338CS..Hα-helixtrans-57.2-41.9178-71.6166.1000111.4T167 L170 R174 E182 A183T167-I186 HydrophobicContact CG2-CG2 3.67Å; T167-I186 WeakPolarHBondContact CG2-O 3.42Å; L170-I186 HydrophobicContact CD2-CD1 4.03Å; L170-I186 HydrophobicContact CD2-CG2 4.15Å; L170-I186 HydrophobicContact CG-CD1 4.23Å; R174-I186 HydrophobicContact CG-CD1 4.16Å; E182-I186 WeakPolarHBondContact O-CB 3.21Å; E182-I186 WeakPolarHBondContact O-CD1 3.48Å; E182-I186 VanDerWaalsContact O-CG1 3.27Å; E182-I186 WeakPolarHBondContact O-CG1 3.41Å; E182-I186 PolarHBondContact O-N 3.25Å; A183-I186 PolarHBondContact O-N 3.4Å
187L88.4Confident84.7Confident0 Ų056.7 Ų56.70%033%0.333CS..Hα-helixtrans-78.6-36.4-176.3-164.971.7000112.7V168 A183 K184 A185 D189 L190 V206 H209 Q210 L213V168-L187 HydrophobicContact CG2-CD1 4Å; A183-L187 WeakPolarHBondContact O-CB 3.31Å; A183-L187 PolarHBondContact O-N 2.88Å; K184-L187 PolarHBondContact O-N 3.27Å; A185-L187 VanDerWaalsContact C-N 3.27Å; A185-L187 PolarHBondContact O-N 3.35Å; L187-D189 VanDerWaalsContact C-N 3.32Å; L187-D189 PolarHBondContact O-N 2.94Å; L187-L190 VanDerWaalsContact O-CB 3.26Å; L187-L190 WeakPolarHBondContact O-CB 3.42Å; L187-L190 PolarHBondContact O-N 2.68Å; L187-L190 VanDerWaalsContact O-N 3.15Å; L187-V206 HydrophobicContact CD1-CG1 4.03Å; L187-H209 HydrophobicContact CD2-CB 4.14Å; L187-H209 WeakPolarHBondContact CD2-CD2 3.45Å; L187-Q210 HydrophobicContact CB-CG 4.37Å; L187-Q210 HydrophobicContact CD2-CB 4.17Å; L187-Q210 HydrophobicContact CD2-CG 3.46Å; L187-Q210 VanDerWaalsContact CD2-CG 3.46Å; L187-Q210 HydrophobicContact CG-CG 3.54Å; L187-Q210 PolarHBondContact O-NE2 3.14Å; L187-L213 HydrophobicContact CD2-CD1 3.79Å
188L85.2Confident84.3Confident42 Ų4253.3 Ų53.322%0.2232%0.317CS..Hα-helixtrans-69.2-28.8179-75.4177.2000113.1K184 A185 L190 Q210 V226K184-L188 HydrophobicContact CD-CD1 4.23Å; K184-L188 HydrophobicContact CG-CD1 3.58Å; K184-L188 HydrophobicContact CG-CG 4.08Å; K184-L188 WeakPolarHBondContact O-CB 3.31Å; K184-L188 VanDerWaalsContact O-CG 3.25Å; K184-L188 WeakPolarHBondContact O-CG 3.49Å; K184-L188 PolarHBondContact O-N 3.01Å; A185-L188 PolarHBondContact O-N 3.24Å; L188-L190 PolarHBondContact O-N 3.29Å; L188-Q210 HydrophobicContact CD2-CB 4.27Å; L188-Q210 HydrophobicContact CD2-CG 4.31Å; L188-V226 HydrophobicContact CD2-CG2 3.79Å
189D85Confident84.2Confident126 Ų12655.4 Ų55.467%0.67432%0.316SS*.THydrogen-bonded Turntrans-65.4-18172.6-76-13.2000112.6A185 L187 Q191A185-D189 PolarHBondContact O-N 3.04Å; L187-D189 VanDerWaalsContact C-N 3.32Å; L187-D189 PolarHBondContact O-N 2.94Å; D189-Q191 PolarHBondContact O-N 3.31Å
190L83.7Confident83.8Confident3 Ų360 Ų602%0.01633%0.333CS..  trans-81.1106.5176-171.768.1000110.7A164 T167 V168 L187 L188 V192 V206 Q210A164-L190 HydrophobicContact CB-CD1 4.04Å; A164-L190 HydrophobicContact CB-CD2 3.95Å; T167-L190 HydrophobicContact CG2-CB 4.33Å; T167-L190 HydrophobicContact CG2-CD2 4.37Å; V168-L190 HydrophobicContact CG2-CD2 4.41Å; L187-L190 VanDerWaalsContact O-CB 3.26Å; L187-L190 WeakPolarHBondContact O-CB 3.42Å; L187-L190 PolarHBondContact O-N 2.68Å; L187-L190 VanDerWaalsContact O-N 3.15Å; L188-L190 PolarHBondContact O-N 3.29Å; L190-V192 VanDerWaalsContact C-N 3.34Å; L190-V192 HydrophobicContact CD2-CG1 3.5Å; L190-V192 VanDerWaalsContact CD2-CG1 3.5Å; L190-V192 HydrophobicContact CG-CG1 3.63Å; L190-V192 PolarHBondContact O-N 3.26Å; L190-V192 VanDerWaalsContact O-N 3.08Å; L190-V206 HydrophobicContact CD2-CG1 4.17Å; L190-Q210 PolarHBondContact O-NE2 3.05Å; L190-Q210 VanDerWaalsContact O-NE2 3.16Å
191Q83Confident83.6Confident128 Ų12862.6 Ų62.660%0.59834%0.339SS*.  trans-81.176.9171.8-64-177.33.500110.7D189 E193 S194D189-Q191 PolarHBondContact O-N 3.31Å; Q191-E193 PolarHBondContact O-N 3.13Å; Q191-E193 VanDerWaalsContact O-N 3.11Å; Q191-S194 PolarHBondContact O-N 2.76Å; Q191-S194 PolarHBondContact O-OG 3.36Å
192V80.2Confident83.3Confident0 Ų057.9 Ų57.90%032%0.317CS..THydrogen-bonded Turntrans-64-16-177.5-67.20000114.5L190 M198 K203 V206 L207L190-V192 VanDerWaalsContact C-N 3.34Å; L190-V192 HydrophobicContact CD2-CG1 3.5Å; L190-V192 VanDerWaalsContact CD2-CG1 3.5Å; L190-V192 HydrophobicContact CG-CG1 3.63Å; L190-V192 PolarHBondContact O-N 3.26Å; L190-V192 VanDerWaalsContact O-N 3.08Å; V192-M198 HydrophobicContact CB-CE 3.69Å; V192-M198 HydrophobicContact CG1-CE 3.78Å; V192-K203 WeakPolarHBondContact O-CE 3.31Å; V192-V206 HydrophobicContact CG1-CB 3.97Å; V192-V206 HydrophobicContact CG1-CG1 3.51Å; V192-L207 HydrophobicContact CG2-CD1 4.4Å; V192-L207 HydrophobicContact CG2-CD2 3.48Å; V192-L207 VanDerWaalsContact CG2-CD2 3.48Å; V192-L207 HydrophobicContact CG2-CG 3.67Å
193E76.3Confident83.1Confident73 Ų7355.3 Ų55.334%0.34130%0.304SS..THydrogen-bonded Turntrans-68.6-36.2177.6-53.587.1173.400111.8Q191 C195 K229Q191-E193 PolarHBondContact O-N 3.13Å; Q191-E193 VanDerWaalsContact O-N 3.11Å; E193-C195 VanDerWaalsContact C-N 3.32Å; E193-C195 PolarHBondContact O-N 2.83Å; E193-K229 HydrophobicContact CG-CB 4.49Å; E193-K229 VanDerWaalsContact OE1-CB 3.29Å; E193-K229 WeakPolarHBondContact OE1-CB 3.43Å; E193-K229 WeakPolarHBondContact OE1-CD 3.32Å; E193-K229 WeakPolarHBondContact OE1-CE 3.33Å; E193-K229 WeakPolarHBondContact OE1-CG 3.28Å; E193-K229 IonicContact OE1-NZ 3.05Å; E193-K229 PolarHBondContact OE1-NZ 3.02Å; E193-K229 IonicContact OE2-NZ 2.89Å; E193-K229 PolarHBondContact OE2-NZ 3.16Å
194S78.1Confident83.1Confident71 Ų7155.7 Ų55.750%0.49731%0.306SS..THydrogen-bonded Turntrans-73.4-22.4-178.661.50000113.3E160 Q191 G196E160-S194 PolarHBondContact OE1-OG 2.99Å; Q191-S194 PolarHBondContact O-N 2.76Å; Q191-S194 PolarHBondContact O-OG 3.36Å; S194-G196 PolarHBondContact O-N 3.02Å
195C76.5Confident83.1Confident1 Ų157.9 Ų57.91%0.00732%0.319CS..  trans-71.485.5-177.4-49.70000111.1E160 E193 S197 M198 K203E160-C195 HydrophobicContact CG-CB 4.48Å; E160-C195 PolarHBondContact OE1-SG 3.03Å; E193-C195 VanDerWaalsContact C-N 3.32Å; E193-C195 PolarHBondContact O-N 2.83Å; C195-S197 VanDerWaalsContact C-N 3.25Å; C195-S197 PolarHBondContact O-N 2.9Å; C195-M198 HydrophobicContact CB-CB 4.06Å; C195-M198 PolarHBondContact O-N 3.25Å; C195-K203 WeakPolarHBondContact O-CE 3.18Å; C195-K203 PolarHBondContact O-NZ 3.23Å
196G76.4Confident83Confident71 Ų7156 Ų5673%0.73230%0.302SS*.THydrogen-bonded Turntrans-59.3-31.3-174.900000114.8S194S194-G196 PolarHBondContact O-N 3.02Å
197S79.7Confident83.1Confident80 Ų8055 Ų5556%0.55930%0.297SS*.THydrogen-bonded Turntrans-83.4-9.2-17842.60000114.7V161 C195V161-S197 WeakPolarHBondContact CG2-OG 3.2Å; C195-S197 VanDerWaalsContact C-N 3.25Å; C195-S197 PolarHBondContact O-N 2.9Å
198M81.3Confident83.2Confident9 Ų955.4 Ų55.44%0.04430%0.299CS..SBendtrans-81.3137.4178.7-164.1163.375.800110.8V161 A164 V192 C195 E202 K203V161-M198 HydrophobicContact CG2-CB 4.4Å; A164-M198 HydrophobicContact CB-SD 3.98Å; V192-M198 HydrophobicContact CB-CE 3.69Å; V192-M198 HydrophobicContact CG1-CE 3.78Å; C195-M198 HydrophobicContact CB-CB 4.06Å; C195-M198 PolarHBondContact O-N 3.25Å; M198-E202 HydrophobicContact CG-CB 3.92Å; M198-E202 HydrophobicContact SD-CB 4.38Å; M198-K203 HydrophobicContact CB-CG 4.25Å; M198-K203 HydrophobicContact CE-CB 4.06Å; M198-K203 HydrophobicContact CE-CG 3.32Å; M198-K203 HydrophobicContact CG-CG 4.3Å; M198-K203 WeakPolarHBondContact O-CE 3.31Å
199N83.7Confident83.4Confident97 Ų9754.3 Ų54.352%0.51929%0.293SS..  trans-56.4140.1178.4-70.2-31.1000110.8R201 E202 K203N199-R201 PolarHBondContact O-N 3.09Å; N199-R201 VanDerWaalsContact O-N 3.17Å; N199-E202 HydrophobicContact CB-CB 4.26Å; N199-E202 HydrophobicContact CB-CG 4.18Å; N199-E202 PolarHBondContact ND2-OE1 2.98Å; N199-E202 PolarHBondContact O-N 3.33Å; N199-K203 PolarHBondContact O-N 3Å
200K81.9Confident83.6Confident164 Ų16448.4 Ų48.471%0.71326%0.261SS*.Hα-helixtrans-55-36.5179-68.1179.7-178173.70112.2K203 I204K200-K203 WeakPolarHBondContact O-CB 3.32Å; K200-K203 PolarHBondContact O-N 3.44Å; K200-I204 WeakPolarHBondContact O-CG1 3.5Å; K200-I204 PolarHBondContact O-N 3.39Å
201R82.5Confident83.9Confident106 Ų10648.3 Ų48.340%0.426%0.26SS..Hα-helixtrans-66.5-51.8176.8-179.6167.8166.8172.9-16.3112.4N199 K203 I204 D205 D243 E245 I249N199-R201 PolarHBondContact O-N 3.09Å; N199-R201 VanDerWaalsContact O-N 3.17Å; R201-K203 PolarHBondContact O-N 3.28Å; R201-I204 PolarHBondContact O-N 3.19Å; R201-D205 PolarHBondContact O-N 3.24Å; R201-D243 IonicContact NH1-OD1 3.88Å; R201-D243 PolarHBondContact NH1-OD1 2.61Å; R201-D243 IonicContact NH1-OD2 2.97Å; R201-D243 PolarHBondContact NH1-OD2 3.47Å; R201-D243 VanDerWaalsContact NH1-OD2 3.09Å; R201-E245 VanDerWaalsContact NH2-CB 3.25Å; R201-I249 HydrophobicContact CG-CD1 4.23Å
202E83.4Confident84.4Confident49 Ų4946 Ų4623%0.22925%0.246CC..Hα-helixtrans-56-37.3175.2-72.7175.4-136.700111.4R165 M198 N199 I204 D205 V206R165-E202 IonicContact CZ-OE2 3.73Å; R165-E202 IonicContact NE-OE2 3.93Å; R165-E202 PolarHBondContact NE-OE2 3.01Å; R165-E202 VanDerWaalsContact NH2-CD 3.34Å; R165-E202 IonicContact NH2-OE1 3.1Å; R165-E202 PolarHBondContact NH2-OE1 3.45Å; R165-E202 IonicContact NH2-OE2 3.88Å; R165-E202 PolarHBondContact NH2-OE2 3.35Å; M198-E202 HydrophobicContact CG-CB 3.92Å; M198-E202 HydrophobicContact SD-CB 4.38Å; N199-E202 HydrophobicContact CB-CB 4.26Å; N199-E202 HydrophobicContact CB-CG 4.18Å; N199-E202 PolarHBondContact ND2-OE1 2.98Å; N199-E202 PolarHBondContact O-N 3.33Å; E202-I204 PolarHBondContact O-N 3.26Å; E202-D205 PolarHBondContact O-N 3.32Å; E202-V206 VanDerWaalsContact O-CG2 3.32Å; E202-V206 WeakPolarHBondContact O-CG2 3.37Å; E202-V206 PolarHBondContact O-N 2.94Å; E202-V206 VanDerWaalsContact O-N 3.07Å
203K85.8Confident84.8Confident41 Ų4146 Ų4618%0.17825%0.246CC..Hα-helixtrans-59.2-46.8173.2-71.4178.9178.6-167.70112.5V192 C195 M198 N199 K200 R201 V206 L207V192-K203 WeakPolarHBondContact O-CE 3.31Å; C195-K203 WeakPolarHBondContact O-CE 3.18Å; C195-K203 PolarHBondContact O-NZ 3.23Å; M198-K203 HydrophobicContact CB-CG 4.25Å; M198-K203 HydrophobicContact CE-CB 4.06Å; M198-K203 HydrophobicContact CE-CG 3.32Å; M198-K203 HydrophobicContact CG-CG 4.3Å; M198-K203 WeakPolarHBondContact O-CE 3.31Å; N199-K203 PolarHBondContact O-N 3Å; K200-K203 WeakPolarHBondContact O-CB 3.32Å; K200-K203 PolarHBondContact O-N 3.44Å; R201-K203 PolarHBondContact O-N 3.28Å; K203-V206 PolarHBondContact O-N 3.01Å; K203-L207 VanDerWaalsContact O-CG 3.27Å; K203-L207 WeakPolarHBondContact O-CG 3.45Å; K203-L207 PolarHBondContact O-N 3.44Å
204I86.9Confident85.4Confident8 Ų842.5 Ų42.54%0.04123%0.23CC..Hα-helixtrans-64.5-44.1179.3-61.7165000110.2K200 R201 E202 V206 L207 L208 V234 F235 I249K200-I204 WeakPolarHBondContact O-CG1 3.5Å; K200-I204 PolarHBondContact O-N 3.39Å; R201-I204 PolarHBondContact O-N 3.19Å; E202-I204 PolarHBondContact O-N 3.26Å; I204-V206 VanDerWaalsContact C-N 3.26Å; I204-V206 PolarHBondContact O-N 3.22Å; I204-L207 CarbonylContact O-C 3.57Å; I204-L207 PolarHBondContact O-N 3.07Å; I204-L207 VanDerWaalsContact O-N 3.12Å; I204-L208 HydrophobicContact CG2-CD1 3.96Å; I204-L208 HydrophobicContact CG2-CG 4.03Å; I204-L208 WeakPolarHBondContact O-CB 3.45Å; I204-L208 WeakPolarHBondContact O-CG 3.34Å; I204-L208 PolarHBondContact O-N 3.35Å; I204-V234 HydrophobicContact CD1-CB 4.05Å; I204-V234 HydrophobicContact CD1-CG1 3.22Å; I204-V234 HydrophobicContact CG1-CG1 4.16Å; I204-F235 HydrophobicContact CG2-CE1 4.33Å; I204-F235 HydrophobicContact CG2-CZ 4.34Å; I204-I249 HydrophobicContact CB-CG2 4.46Å; I204-I249 HydrophobicContact CG2-CG2 3.47Å; I204-I249 VanDerWaalsContact CG2-CG2 3.47Å
205D87.8Confident86Confident65 Ų6539.9 Ų39.935%0.34821%0.211SC..Hα-helixtrans-58.4-41.4179.8-68.5-25.4000111.5R201 E202 L208 H209 I249R201-D205 PolarHBondContact O-N 3.24Å; E202-D205 PolarHBondContact O-N 3.32Å; D205-L208 PolarHBondContact O-N 2.91Å; D205-H209 WeakPolarHBondContact O-CB 3.49Å; D205-H209 PolarHBondContact O-N 3.28Å; D205-I249 WeakPolarHBondContact OD1-CD1 3.36Å
206V89.6Confident86.6Confident12 Ų1244.6 Ų44.67%0.07323%0.233CC..Hα-helixtrans-69.1-42176.2-1790000111.9V168 L187 L190 V192 E202 K203 I204 L208 H209 Q210V168-V206 HydrophobicContact CG2-CB 4.36Å; V168-V206 HydrophobicContact CG2-CG1 3.94Å; V168-V206 HydrophobicContact CG2-CG2 3.45Å; V168-V206 VanDerWaalsContact CG2-CG2 3.45Å; L187-V206 HydrophobicContact CD1-CG1 4.03Å; L190-V206 HydrophobicContact CD2-CG1 4.17Å; V192-V206 HydrophobicContact CG1-CB 3.97Å; V192-V206 HydrophobicContact CG1-CG1 3.51Å; E202-V206 VanDerWaalsContact O-CG2 3.32Å; E202-V206 WeakPolarHBondContact O-CG2 3.37Å; E202-V206 PolarHBondContact O-N 2.94Å; E202-V206 VanDerWaalsContact O-N 3.07Å; K203-V206 PolarHBondContact O-N 3.01Å; I204-V206 VanDerWaalsContact C-N 3.26Å; I204-V206 PolarHBondContact O-N 3.22Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3.34Å; V206-H209 PolarHBondContact O-N 3.44Å; V206-Q210 WeakPolarHBondContact O-CG 3.13Å; V206-Q210 PolarHBondContact O-N 3.02Å
207L90Very high87.2Confident9 Ų943.8 Ų43.85%0.04721%0.212CC..Hα-helixtrans-63.8-36.8175.8-69.6172.8000112V192 K203 I204 Q210 L211 V226 K229 I230V192-L207 HydrophobicContact CG2-CD1 4.4Å; V192-L207 HydrophobicContact CG2-CD2 3.48Å; V192-L207 VanDerWaalsContact CG2-CD2 3.48Å; V192-L207 HydrophobicContact CG2-CG 3.67Å; K203-L207 VanDerWaalsContact O-CG 3.27Å; K203-L207 WeakPolarHBondContact O-CG 3.45Å; K203-L207 PolarHBondContact O-N 3.44Å; I204-L207 CarbonylContact O-C 3.57Å; I204-L207 PolarHBondContact O-N 3.07Å; I204-L207 VanDerWaalsContact O-N 3.12Å; L207-Q210 WeakPolarHBondContact O-CB 3.38Å; L207-Q210 PolarHBondContact O-N 2.65Å; L207-L211 WeakPolarHBondContact O-CB 3.45Å; L207-L211 PolarHBondContact O-N 3.32Å; L207-V226 HydrophobicContact CD2-CG1 4.48Å; L207-V226 WeakPolarHBondContact O-CG1 3.18Å; L207-K229 HydrophobicContact CD1-CB 4.44Å; L207-K229 HydrophobicContact CD2-CB 4.18Å; L207-I230 HydrophobicContact CB-CD1 3.86Å; L207-I230 HydrophobicContact CB-CG1 3.71Å; L207-I230 HydrophobicContact CD1-CG1 3.77Å; L207-I230 HydrophobicContact CG-CG1 4.33Å
208L90.1Very high87.5Confident8 Ų842 Ų424%0.04221%0.206CC..Hα-helixtrans-68-39.9174.1-73.3-179000111.9I204 D205 V206 Q210 L211 R212 I230 I249 Y253 L256I204-L208 HydrophobicContact CG2-CD1 3.96Å; I204-L208 HydrophobicContact CG2-CG 4.03Å; I204-L208 WeakPolarHBondContact O-CB 3.45Å; I204-L208 WeakPolarHBondContact O-CG 3.34Å; I204-L208 PolarHBondContact O-N 3.35Å; D205-L208 PolarHBondContact O-N 2.91Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3.34Å; L208-Q210 VanDerWaalsContact C-N 3.34Å; L208-L211 PolarHBondContact O-N 3.26Å; L208-R212 WeakPolarHBondContact O-CB 3.42Å; L208-R212 PolarHBondContact O-N 2.97Å; L208-I230 HydrophobicContact CD2-CD1 3.95Å; L208-I230 HydrophobicContact CG-CD1 4.49Å; L208-I249 HydrophobicContact CD1-CB 4.23Å; L208-I249 HydrophobicContact CD1-CG2 3.41Å; L208-I249 VanDerWaalsContact CD1-CG2 3.41Å; L208-Y253 HydrophobicContact CD2-CD2 3.67Å; L208-Y253 HydrophobicContact CD2-CG 4.14Å; L208-L256 HydrophobicContact CD2-CD1 4.43Å
209H89.6Confident87.9Confident20 Ų2043 Ų439%0.09321%0.211CC..Hα-helixtrans-63-42174.6-170.961000111.2E175 L187 D205 V206 L211 R212 L213E175-H209 IonicContact OE2-CE1 3.45Å; E175-H209 PolarHBondContact OE2-CE1 3.31Å; E175-H209 IonicContact OE2-NE2 3.43Å; L187-H209 HydrophobicContact CD2-CB 4.14Å; L187-H209 WeakPolarHBondContact CD2-CD2 3.45Å; D205-H209 WeakPolarHBondContact O-CB 3.49Å; D205-H209 PolarHBondContact O-N 3.28Å; V206-H209 PolarHBondContact O-N 3.44Å; H209-L211 PolarHBondContact O-N 2.97Å; H209-R212 PolarHBondContact CE1-NH2 2.99Å; H209-R212 PolarHBondContact ND1-NH2 3.2Å; H209-R212 PolarHBondContact O-N 3.26Å; H209-L213 WeakPolarHBondContact O-CG 3.35Å; H209-L213 PolarHBondContact O-N 3.09Å
210Q89.7Confident88.1Confident2 Ų240.2 Ų40.21%0.00920%0.195CC..Hα-helixtrans-58.2-46170.8-73.4176.2-7.500111.8L187 L188 L190 V206 L207 L208 C214 V226L187-Q210 HydrophobicContact CB-CG 4.37Å; L187-Q210 HydrophobicContact CD2-CB 4.17Å; L187-Q210 HydrophobicContact CD2-CG 3.46Å; L187-Q210 VanDerWaalsContact CD2-CG 3.46Å; L187-Q210 HydrophobicContact CG-CG 3.54Å; L187-Q210 PolarHBondContact O-NE2 3.14Å; L188-Q210 HydrophobicContact CD2-CB 4.27Å; L188-Q210 HydrophobicContact CD2-CG 4.31Å; L190-Q210 PolarHBondContact O-NE2 3.05Å; L190-Q210 VanDerWaalsContact O-NE2 3.16Å; V206-Q210 WeakPolarHBondContact O-CG 3.13Å; V206-Q210 PolarHBondContact O-N 3.02Å; L207-Q210 WeakPolarHBondContact O-CB 3.38Å; L207-Q210 PolarHBondContact O-N 2.65Å; L208-Q210 VanDerWaalsContact C-N 3.34Å; Q210-C214 PolarHBondContact O-N 3.11Å; Q210-C214 PolarHBondContact O-SG 2.83Å; Q210-V226 HydrophobicContact CB-CG1 3.91Å; Q210-V226 HydrophobicContact CB-CG2 4.32Å
211L90Very high88.3Confident0 Ų039 Ų390%020%0.195CC..Hα-helixtrans-63.7-45.6179.8-176.162.1000111.4L207 L208 H209 C214 V215 A223 V226 Y253 L256 M257 V260L207-L211 WeakPolarHBondContact O-CB 3.45Å; L207-L211 PolarHBondContact O-N 3.32Å; L208-L211 PolarHBondContact O-N 3.26Å; H209-L211 PolarHBondContact O-N 2.97Å; L211-C214 PolarHBondContact O-N 3.47Å; L211-V215 HydrophobicContact CD1-CG2 4.42Å; L211-V215 WeakPolarHBondContact O-CG2 3.24Å; L211-V215 PolarHBondContact O-N 2.93Å; L211-A223 HydrophobicContact CD1-CB 3.68Å; L211-A223 WeakPolarHBondContact CD1-O 3.37Å; L211-V226 HydrophobicContact CB-CG1 4.14Å; L211-Y253 HydrophobicContact CD2-CD2 4.17Å; L211-Y253 HydrophobicContact CD2-CE2 4.3Å; L211-L256 HydrophobicContact CB-CD1 4.22Å; L211-L256 HydrophobicContact CD2-CB 3.69Å; L211-L256 HydrophobicContact CD2-CD1 3.99Å; L211-L256 HydrophobicContact CD2-CG 4.49Å; L211-L256 HydrophobicContact CG-CB 4.06Å; L211-L256 HydrophobicContact CG-CD1 4.05Å; L211-M257 HydrophobicContact CD2-SD 4.25Å; L211-V260 HydrophobicContact CD1-CG2 4.41Å
212R92.7Very high88.4Confident79 Ų7939.9 Ų39.930%0.29820%0.198SC..Hα-helixtrans-57.8-50.9178.1-173.6-16966.8172.71.5111.4E175 L208 H209 C214 V215 E216 L256E175-R212 IonicContact OE1-CZ 3.56Å; E175-R212 IonicContact OE1-NH1 3.97Å; E175-R212 IonicContact OE1-NH2 3.09Å; E175-R212 PolarHBondContact OE1-NH2 2.91Å; E175-R212 IonicContact OE2-CZ 3.38Å; E175-R212 IonicContact OE2-NH2 2.84Å; E175-R212 PolarHBondContact OE2-NH2 2.89Å; L208-R212 WeakPolarHBondContact O-CB 3.42Å; L208-R212 PolarHBondContact O-N 2.97Å; H209-R212 PolarHBondContact CE1-NH2 2.99Å; H209-R212 PolarHBondContact ND1-NH2 3.2Å; H209-R212 PolarHBondContact O-N 3.26Å; R212-C214 VanDerWaalsContact C-N 3.28Å; R212-C214 PolarHBondContact O-N 3.42Å; R212-V215 PolarHBondContact O-N 3.13Å; R212-V215 VanDerWaalsContact O-N 3.13Å; R212-E216 WeakPolarHBondContact CD-OE1 3.27Å; R212-E216 HydrophobicContact CG-CG 4.42Å; R212-E216 WeakPolarHBondContact CG-OE1 3.47Å; R212-E216 IonicContact NE-OE1 2.67Å; R212-E216 WeakPolarHBondContact O-CG 3.43Å; R212-E216 PolarHBondContact O-N 3.43Å; R212-L256 HydrophobicContact CB-CD1 4.09Å; R212-L256 HydrophobicContact CB-CD2 4.19Å; R212-L256 HydrophobicContact CG-CD2 4.29Å
213L89.4Confident88.6Confident1 Ų137.6 Ų37.61%0.00519%0.188CC..Hα-helixtrans-61.9-36.1178.5-70.3174.5000112.2E175 L180 A183 K184 L187 H209 L217E175-L213 HydrophobicContact CG-CD2 4.42Å; L180-L213 HydrophobicContact CD2-CD2 4.33Å; A183-L213 HydrophobicContact CB-CD1 4.39Å; K184-L213 HydrophobicContact CB-CB 4.28Å; L187-L213 HydrophobicContact CD2-CD1 3.79Å; H209-L213 WeakPolarHBondContact O-CG 3.35Å; H209-L213 PolarHBondContact O-N 3.09Å; L213-L217 WeakPolarHBondContact O-CB 3.44Å; L213-L217 PolarHBondContact O-N 3.25Å
214C89.2Confident88.6Confident0 Ų037.2 Ų37.20%019%0.187CC..Hα-helixtrans-65.9-41.7174.6-68.30000112.2Q210 L211 R212 G218 D219 A223Q210-C214 PolarHBondContact O-N 3.11Å; Q210-C214 PolarHBondContact O-SG 2.83Å; L211-C214 PolarHBondContact O-N 3.47Å; R212-C214 VanDerWaalsContact C-N 3.28Å; R212-C214 PolarHBondContact O-N 3.42Å; C214-G218 PolarHBondContact O-N 3.43Å; C214-D219 PolarHBondContact O-N 3.09Å; C214-A223 HydrophobicContact CB-CB 3.9Å
215V90.1Very high88.6Confident15 Ų1542.1 Ų42.19%0.09121%0.212CC..Hα-helixtrans-68.9-42.1179.1171.80000111.5L211 R212 L217 G218 F220 A223 L256 K259 V260L211-V215 HydrophobicContact CD1-CG2 4.42Å; L211-V215 WeakPolarHBondContact O-CG2 3.24Å; L211-V215 PolarHBondContact O-N 2.93Å; R212-V215 PolarHBondContact O-N 3.13Å; R212-V215 VanDerWaalsContact O-N 3.13Å; V215-L217 VanDerWaalsContact C-N 3.31Å; V215-L217 PolarHBondContact O-N 3.39Å; V215-G218 PolarHBondContact O-N 3.3Å; V215-F220 HydrophobicContact CG1-CE1 4.46Å; V215-A223 HydrophobicContact CG2-CB 4.24Å; V215-L256 HydrophobicContact CB-CD2 4.4Å; V215-L256 HydrophobicContact CG2-CD2 4.43Å; V215-K259 HydrophobicContact CG1-CB 3.82Å; V215-K259 HydrophobicContact CG1-CD 3.72Å; V215-K259 HydrophobicContact CG1-CG 4.43Å; V215-V260 HydrophobicContact CG2-CG2 3.67Å
216E88.8Confident88.5Confident100 Ų10039.2 Ų39.247%0.46720%0.196SC..Hα-helixtrans-63.5-35.7178.3-75.5171.6-179.900112.6R212 G218R212-E216 WeakPolarHBondContact CD-OE1 3.27Å; R212-E216 HydrophobicContact CG-CG 4.42Å; R212-E216 WeakPolarHBondContact CG-OE1 3.47Å; R212-E216 IonicContact NE-OE1 2.67Å; R212-E216 WeakPolarHBondContact O-CG 3.43Å; R212-E216 PolarHBondContact O-N 3.43Å; E216-G218 VanDerWaalsContact C-N 3.29Å
217L89.4Confident88.3Confident55 Ų5539.1 Ų39.129%0.28820%0.196SC..THydrogen-bonded Turntrans-82.8-0.4174-74.1170.1000114L180 E181 K184 L213 V215 D219L180-L217 HydrophobicContact CB-CD1 4.15Å; L180-L217 HydrophobicContact CB-CD2 3.8Å; L180-L217 HydrophobicContact CB-CG 4.06Å; L180-L217 HydrophobicContact CD1-CD2 4.46Å; E181-L217 HydrophobicContact CG-CD1 4.22Å; E181-L217 HydrophobicContact CG-CD2 3.9Å; K184-L217 HydrophobicContact CB-CD1 3.85Å; K184-L217 HydrophobicContact CD-CD1 3.4Å; K184-L217 HydrophobicContact CG-CD1 4.28Å; L213-L217 WeakPolarHBondContact O-CB 3.44Å; L213-L217 PolarHBondContact O-N 3.25Å; V215-L217 VanDerWaalsContact C-N 3.31Å; V215-L217 PolarHBondContact O-N 3.39Å; L217-D219 VanDerWaalsContact C-N 3.27Å; L217-D219 PolarHBondContact O-N 3.08Å
218G85.6Confident88Confident42 Ų4246.9 Ų46.943%0.43323%0.229SC..THydrogen-bonded Turntrans70.116.7-178.900000115C214 V215 E216 F220C214-G218 PolarHBondContact O-N 3.43Å; V215-G218 PolarHBondContact O-N 3.3Å; E216-G218 VanDerWaalsContact C-N 3.29Å; G218-F220 WeakPolarHBondContact O-CD2 3.4Å; G218-F220 PolarHBondContact O-N 2.92Å
219D88.9Confident87.7Confident29 Ų2950.3 Ų50.316%0.15524%0.244CC..  trans-90.977.7177.2-170.9-13.9000111.1K184 C214 L217 L221 R222 A223K184-D219 VanDerWaalsContact NZ-CG 3.31Å; K184-D219 IonicContact NZ-OD2 3.56Å; K184-D219 PolarHBondContact NZ-OD2 3.34Å; C214-D219 PolarHBondContact O-N 3.09Å; L217-D219 VanDerWaalsContact C-N 3.27Å; L217-D219 PolarHBondContact O-N 3.08Å; D219-L221 VanDerWaalsContact C-N 3.31Å; D219-L221 PolarHBondContact O-N 3.03Å; D219-R222 PolarHBondContact O-N 2.66Å; D219-R222 WeakPolarHBondContact OD1-CG 3.39Å; D219-R222 PolarHBondContact OD1-N 3.43Å; D219-R222 WeakPolarHBondContact OD2-CD 3.38Å; D219-R222 VanDerWaalsContact OD2-CG 3.22Å; D219-R222 WeakPolarHBondContact OD2-CG 3.47Å; D219-R222 IonicContact OD2-CZ 3Å; D219-R222 IonicContact OD2-NE 3.9Å; D219-R222 IonicContact OD2-NH1 3.74Å; D219-R222 PolarHBondContact OD2-NH1 3.04Å; D219-A223 WeakPolarHBondContact O-CB 3.21Å; D219-A223 PolarHBondContact O-N 3.06Å
220F88.2Confident87.3Confident40 Ų4049.6 Ų49.618%0.17524%0.241CC..Hα-helixtrans-70.5-25.4-177.4-61.5-77.5000113.4V215 G218 A223 N224 V260 N263V215-F220 HydrophobicContact CG1-CE1 4.46Å; G218-F220 WeakPolarHBondContact O-CD2 3.4Å; G218-F220 PolarHBondContact O-N 2.92Å; F220-A223 PolarHBondContact O-N 3.22Å; F220-N224 WeakPolarHBondContact O-CB 3.16Å; F220-N224 PolarHBondContact O-N 3.01Å; F220-N224 PolarHBondContact O-ND2 3.25Å; F220-V260 HydrophobicContact CD1-CB 4.38Å; F220-V260 HydrophobicContact CD1-CG1 4.48Å; F220-V260 HydrophobicContact CD1-CG2 4.2Å; F220-N263 HydrophobicContact CD1-CB 3.74Å; F220-N263 HydrophobicContact CD2-CB 3.72Å; F220-N263 WeakPolarHBondContact CD2-ND2 3.22Å; F220-N263 HydrophobicContact CE1-CB 3.69Å; F220-N263 HydrophobicContact CE2-CB 3.66Å; F220-N263 WeakPolarHBondContact CE2-OD1 2.98Å; F220-N263 HydrophobicContact CG-CB 3.74Å; F220-N263 VanDerWaalsContact CG-ND2 3.32Å; F220-N263 WeakPolarHBondContact CG-ND2 3.47Å; F220-N263 HydrophobicContact CZ-CB 3.64Å
221L86.5Confident86.6Confident139 Ų13952.7 Ų52.773%0.72826%0.263SS*.Hα-helixtrans-65.3-46.6175.3-68.4176.4000110.8D219 N224 M225D219-L221 VanDerWaalsContact C-N 3.31Å; D219-L221 PolarHBondContact O-N 3.03Å; L221-N224 PolarHBondContact O-N 3.17Å; L221-M225 PolarHBondContact O-N 2.93Å
222R85.3Confident85.7Confident124 Ų12457.2 Ų57.247%0.46829%0.292SS..Hα-helixtrans-69.1-37.6174-67.3-167.1176.8110.3-12.5112D219 N224 M225 V226D219-R222 PolarHBondContact O-N 2.66Å; D219-R222 WeakPolarHBondContact OD1-CG 3.39Å; D219-R222 PolarHBondContact OD1-N 3.43Å; D219-R222 WeakPolarHBondContact OD2-CD 3.38Å; D219-R222 VanDerWaalsContact OD2-CG 3.22Å; D219-R222 WeakPolarHBondContact OD2-CG 3.47Å; D219-R222 IonicContact OD2-CZ 3Å; D219-R222 IonicContact OD2-NE 3.9Å; D219-R222 IonicContact OD2-NH1 3.74Å; D219-R222 PolarHBondContact OD2-NH1 3.04Å; R222-N224 VanDerWaalsContact C-N 3.27Å; R222-N224 PolarHBondContact O-N 3.47Å; R222-M225 HydrophobicContact CB-CE 4.18Å; R222-M225 HydrophobicContact CG-CE 3.7Å; R222-M225 PolarHBondContact O-N 3.48Å; R222-V226 WeakPolarHBondContact O-CG2 3.26Å; R222-V226 PolarHBondContact O-N 3.34Å
223A87.2Confident84.8Confident0 Ų061 Ų610%031%0.311CS..Hα-helixtrans-55.1-43.5173.500000111.9L211 C214 V215 D219 F220 M225 V226 S227 V260L211-A223 HydrophobicContact CD1-CB 3.68Å; L211-A223 WeakPolarHBondContact CD1-O 3.37Å; C214-A223 HydrophobicContact CB-CB 3.9Å; V215-A223 HydrophobicContact CG2-CB 4.24Å; D219-A223 WeakPolarHBondContact O-CB 3.21Å; D219-A223 PolarHBondContact O-N 3.06Å; F220-A223 PolarHBondContact O-N 3.22Å; A223-M225 PolarHBondContact O-N 2.87Å; A223-V226 PolarHBondContact O-N 3.23Å; A223-S227 WeakPolarHBondContact O-CB 3.4Å; A223-S227 PolarHBondContact O-N 3.24Å; A223-V260 HydrophobicContact CB-CG2 3.82Å
224N86.4Confident83.8Confident33 Ų3363.1 Ų63.118%0.17632%0.324CS..Hα-helixtrans-66.3-31.8175.8-85.7-30.3000114.6F220 L221 R222 S227 K228 V260 E264F220-N224 WeakPolarHBondContact O-CB 3.16Å; F220-N224 PolarHBondContact O-N 3.01Å; F220-N224 PolarHBondContact O-ND2 3.25Å; L221-N224 PolarHBondContact O-N 3.17Å; R222-N224 VanDerWaalsContact C-N 3.27Å; R222-N224 PolarHBondContact O-N 3.47Å; N224-S227 WeakPolarHBondContact CA-OG 3.44Å; N224-S227 PolarHBondContact O-OG 2.83Å; N224-K228 WeakPolarHBondContact O-CG 3.49Å; N224-K228 PolarHBondContact O-N 3.25Å; N224-V260 VanDerWaalsContact OD1-CG1 3.24Å; N224-V260 WeakPolarHBondContact OD1-CG1 3.4Å; N224-E264 PolarHBondContact ND2-OE1 3.25Å
225M85.6Confident82.9Confident112 Ų11264.4 Ų64.455%0.55233%0.329SS*.Hα-helixtrans-70.1-40.6173.6-68.5-171.6-73.500110.9L221 R222 A223L221-M225 PolarHBondContact O-N 2.93Å; R222-M225 HydrophobicContact CB-CE 4.18Å; R222-M225 HydrophobicContact CG-CE 3.7Å; R222-M225 PolarHBondContact O-N 3.48Å; A223-M225 PolarHBondContact O-N 2.87Å
226V86Confident81.7Confident4 Ų469 Ų692%0.02436%0.357CS..Hα-helixtrans-67.2-42176.1178.80000111.5L188 L207 Q210 L211 R222 A223 K228 K229L188-V226 HydrophobicContact CD2-CG2 3.79Å; L207-V226 HydrophobicContact CD2-CG1 4.48Å; L207-V226 WeakPolarHBondContact O-CG1 3.18Å; Q210-V226 HydrophobicContact CB-CG1 3.91Å; Q210-V226 HydrophobicContact CB-CG2 4.32Å; L211-V226 HydrophobicContact CB-CG1 4.14Å; R222-V226 WeakPolarHBondContact O-CG2 3.26Å; R222-V226 PolarHBondContact O-N 3.34Å; A223-V226 PolarHBondContact O-N 3.23Å; V226-K228 VanDerWaalsContact C-N 3.28Å; V226-K228 PolarHBondContact O-N 3.4Å; V226-K229 VanDerWaalsContact O-CB 3.31Å; V226-K229 WeakPolarHBondContact O-CB 3.26Å; V226-K229 PolarHBondContact O-N 3.47Å
227S85.1Confident80.1Confident10 Ų1068.9 Ų68.97%0.0736%0.364CS..Hα-helixtrans-61.8-35.1-179.369.10000112.9A223 N224 K229 I230 M257A223-S227 WeakPolarHBondContact O-CB 3.4Å; A223-S227 PolarHBondContact O-N 3.24Å; N224-S227 WeakPolarHBondContact CA-OG 3.44Å; N224-S227 PolarHBondContact O-OG 2.83Å; S227-K229 PolarHBondContact O-N 3.27Å; S227-I230 PolarHBondContact O-N 3.35Å; S227-M257 WeakPolarHBondContact CB-SD 3.34Å
228K84.8Confident78.4Confident171 Ų17169 Ų6974%0.74337%0.367SS*.Hα-helixtrans-66.6-22.7175.2-71.8174.3-175.2178.20113.6N224 V226N224-K228 WeakPolarHBondContact O-CG 3.49Å; N224-K228 PolarHBondContact O-N 3.25Å; V226-K228 VanDerWaalsContact C-N 3.28Å; V226-K228 PolarHBondContact O-N 3.4Å
229K83Confident76.7Confident81 Ų8173.2 Ų73.235%0.35238%0.384SS..Hα-helixtrans-76.2-25.9176.5-67.6152.8148.5-120.80111.8E193 L207 V226 S227 S231E193-K229 HydrophobicContact CG-CB 4.49Å; E193-K229 VanDerWaalsContact OE1-CB 3.29Å; E193-K229 WeakPolarHBondContact OE1-CB 3.43Å; E193-K229 WeakPolarHBondContact OE1-CD 3.32Å; E193-K229 WeakPolarHBondContact OE1-CE 3.33Å; E193-K229 WeakPolarHBondContact OE1-CG 3.28Å; E193-K229 IonicContact OE1-NZ 3.05Å; E193-K229 PolarHBondContact OE1-NZ 3.02Å; E193-K229 IonicContact OE2-NZ 2.89Å; E193-K229 PolarHBondContact OE2-NZ 3.16Å; L207-K229 HydrophobicContact CD1-CB 4.44Å; L207-K229 HydrophobicContact CD2-CB 4.18Å; V226-K229 VanDerWaalsContact O-CB 3.31Å; V226-K229 WeakPolarHBondContact O-CB 3.26Å; V226-K229 PolarHBondContact O-N 3.47Å; S227-K229 PolarHBondContact O-N 3.27Å; K229-S231 PolarHBondContact O-N 2.9Å
230I82.2Confident74.9Confident5 Ų577.1 Ų77.13%0.02641%0.405CS..SBendtrans-81.3107.6175.3-59171.3000108.7L207 L208 S227 P232 F235 Y253L207-I230 HydrophobicContact CB-CD1 3.86Å; L207-I230 HydrophobicContact CB-CG1 3.71Å; L207-I230 HydrophobicContact CD1-CG1 3.77Å; L207-I230 HydrophobicContact CG-CG1 4.33Å; L208-I230 HydrophobicContact CD2-CD1 3.95Å; L208-I230 HydrophobicContact CG-CD1 4.49Å; S227-I230 PolarHBondContact O-N 3.35Å; I230-P232 WeakPolarHBondContact O-CD 3.21Å; I230-F235 HydrophobicContact CG2-CE2 3.74Å; I230-F235 HydrophobicContact CG2-CZ 3.89Å; I230-Y253 HydrophobicContact CB-CE2 4.04Å; I230-Y253 HydrophobicContact CD1-CD2 3.72Å; I230-Y253 HydrophobicContact CD1-CE2 3.63Å; I230-Y253 HydrophobicContact CG1-CE2 4.42Å; I230-Y253 HydrophobicContact CG2-CD2 4.33Å; I230-Y253 HydrophobicContact CG2-CE2 4.01Å
231S75Confident73.2Confident66 Ų6682.7 Ų82.746%0.46243%0.432SS..  trans-74.5125.1176.7-74.50000111.2K229 K233 V234K229-S231 PolarHBondContact O-N 2.9Å; S231-K233 PolarHBondContact O-N 3.27Å; S231-V234 WeakPolarHBondContact O-CG2 3.21Å; S231-V234 PolarHBondContact O-N 3.39Å
232P71.1Confident71.7Confident95 Ų9583 Ų8362%0.61743%0.434SS*.G310 helixtrans-58.6-25.3178.5-25.834.2000113.9I230 V234 F235I230-P232 WeakPolarHBondContact O-CD 3.21Å; P232-V234 PolarHBondContact O-N 3.16Å; P232-F235 PolarHBondContact O-N 2.72Å
233K72.4Confident71Confident159 Ų15979.5 Ų79.569%0.69143%0.425SS*.G310 helixtrans-61.3-25.9177-66.5-174-179.5-1790113.1S231 F235 T236 T237S231-K233 PolarHBondContact O-N 3.27Å; K233-F235 PolarHBondContact O-N 3.18Å; K233-T236 WeakPolarHBondContact CA-OG1 2.99Å; K233-T236 PolarHBondContact O-N 3.47Å; K233-T236 VanDerWaalsContact O-N 3.11Å; K233-T236 PolarHBondContact O-OG1 2.78Å; K233-T237 WeakPolarHBondContact O-CB 3.4Å; K233-T237 PolarHBondContact O-N 2.9Å; K233-T237 PolarHBondContact O-OG1 3.18Å
234V69.6Low70.5Confident46 Ų4684.1 Ų84.128%0.27945%0.449SS..G310 helixtrans-66.3-29.1-177-169.50000111.3I204 S231 P232I204-V234 HydrophobicContact CD1-CB 4.05Å; I204-V234 HydrophobicContact CD1-CG1 3.22Å; I204-V234 HydrophobicContact CG1-CG1 4.16Å; S231-V234 WeakPolarHBondContact O-CG2 3.21Å; S231-V234 PolarHBondContact O-N 3.39Å; P232-V234 PolarHBondContact O-N 3.16Å
235F69.3Low70.1Confident26 Ų2686.4 Ų86.411%0.11446%0.459CS..G310 helixtrans-82-12.5176.8-54.1-69.8000114.1I204 I230 P232 K233 L246 I249 H250 Y253I204-F235 HydrophobicContact CG2-CE1 4.33Å; I204-F235 HydrophobicContact CG2-CZ 4.34Å; I230-F235 HydrophobicContact CG2-CE2 3.74Å; I230-F235 HydrophobicContact CG2-CZ 3.89Å; P232-F235 PolarHBondContact O-N 2.72Å; K233-F235 PolarHBondContact O-N 3.18Å; F235-L246 HydrophobicContact CD1-CD1 4.26Å; F235-I249 HydrophobicContact CE1-CG2 4.03Å; F235-H250 HydrophobicContact CD1-CB 3.73Å; F235-H250 AromaticContact CD1-CG 3.74Å; F235-H250 AromaticContact CD1-ND1 3.21Å; F235-H250 WeakPolarHBondContact CD1-ND1 3.36Å; F235-H250 AromaticContact CD2-CE1 3.49Å; F235-H250 VanDerWaalsContact CD2-CE1 3.49Å; F235-H250 WeakPolarHBondContact CD2-CE1 3.27Å; F235-H250 AromaticContact CD2-ND1 3.21Å; F235-H250 WeakPolarHBondContact CD2-ND1 3.48Å; F235-H250 HydrophobicContact CE1-CB 4.03Å; F235-H250 AromaticContact CE1-ND1 3.58Å; F235-H250 AromaticContact CE2-ND1 3.57Å; F235-H250 HydrophobicContact CG-CB 4.33Å; F235-H250 AromaticContact CG-CE1 3.54Å; F235-H250 AromaticContact CG-CG 3.83Å; F235-H250 AromaticContact CG-ND1 2.99Å; F235-H250 WeakPolarHBondContact CG-ND1 3.43Å; F235-H250 AromaticContact CZ-ND1 3.74Å; F235-Y253 AromaticContact CE2-CD1 3.89Å; F235-Y253 HydrophobicContact CE2-CD1 3.89Å; F235-Y253 HydrophobicContact CE2-CE1 4.2Å; F235-Y253 HydrophobicContact CE2-CG 4.26Å; F235-Y253 HydrophobicContact CZ-CD1 4.13Å; F235-Y253 HydrophobicContact CZ-CG 4.06Å
236T64.5Low69.8Low111 Ų11182 Ų8268%0.68144%0.437SS*.THydrogen-bonded Turntrans-109.8-15.7-177.447.10000113.4K233K233-T236 WeakPolarHBondContact CA-OG1 2.99Å; K233-T236 PolarHBondContact O-N 3.47Å; K233-T236 VanDerWaalsContact O-N 3.11Å; K233-T236 PolarHBondContact O-OG1 2.78Å
237T56Low69.5Low98 Ų9882.7 Ų82.760%0.60144%0.441SS*.SBendtrans-77.5-25.7-174.6-56.20000112.4K233 T239K233-T237 WeakPolarHBondContact O-CB 3.4Å; K233-T237 PolarHBondContact O-N 2.9Å; K233-T237 PolarHBondContact O-OG1 3.18Å; T237-T239 PolarHBondContact O-N 3.21Å
238T52.7Low69.4Low58 Ų5888.3 Ų88.336%0.35646%0.46SS..  trans-81.1100.8176.34.50000108.3D240 L246T238-D240 PolarHBondContact O-N 2.89Å; T238-D240 VanDerWaalsContact O-N 3.09Å; T238-L246 HydrophobicContact CG2-CD2 4.48Å; T238-L246 WeakPolarHBondContact OG1-CD2 3.26Å
239T50.3Low69.4Low130 Ų13080.3 Ų80.380%0.79843%0.425SS*.  trans-58.2-10.3168.9-28.20000112.6T237 E241T237-T239 PolarHBondContact O-N 3.21Å; T239-E241 VanDerWaalsContact C-N 3.29Å; T239-E241 PolarHBondContact O-N 3.08Å
240D51.2Low69.5Low112 Ų11277.8 Ų77.860%0.59942%0.415SS*.  trans-77.682.9176.5-54.4-36.9000108.6T238 D242 D243T238-D240 PolarHBondContact O-N 2.89Å; T238-D240 VanDerWaalsContact O-N 3.09Å; D240-D242 PolarHBondContact O-N 3.46Å; D240-D243 PolarHBondContact O-N 2.82Å
241E53.1Low69.8Low156 Ų15678.5 Ų78.573%0.72942%0.419SS*.THydrogen-bonded Turntrans-55.3-6.5169.9-65.3-176.2156.600112.8T239 Q247T239-E241 VanDerWaalsContact C-N 3.29Å; T239-E241 PolarHBondContact O-N 3.08Å; E241-Q247 PolarHBondContact O-NE2 2.93Å
242D54.9Low70.4Confident147 Ų14779.9 Ų79.979%0.78642%0.419SS*.THydrogen-bonded Turntrans-103.21.3-176.3-64.3-34.6000115.3D240 D244D240-D242 PolarHBondContact O-N 3.46Å; D242-D244 VanDerWaalsContact C-N 3.3Å; D242-D244 PolarHBondContact O-N 3.34Å
243D71Confident71.2Confident49 Ų4976.3 Ų76.326%0.26239%0.393SS..  trans-78.482173.7-164.5-0.7000110.4R201 D240 E245 L246 Q247R201-D243 IonicContact NH1-OD1 3.88Å; R201-D243 PolarHBondContact NH1-OD1 2.61Å; R201-D243 IonicContact NH1-OD2 2.97Å; R201-D243 PolarHBondContact NH1-OD2 3.47Å; R201-D243 VanDerWaalsContact NH1-OD2 3.09Å; D240-D243 PolarHBondContact O-N 2.82Å; D243-E245 PolarHBondContact O-N 3.19Å; D243-E245 PolarHBondContact OD1-N 3.49Å; D243-L246 HydrophobicContact CB-CB 3.9Å; D243-L246 PolarHBondContact O-N 2.71Å; D243-Q247 PolarHBondContact O-N 3.45Å; D243-Q247 VanDerWaalsContact O-N 3.1Å
244D75.7Confident72.1Confident97 Ų9769 Ų6952%0.51936%0.362SS..Hα-helixtrans-45.9-35.5175.8-84.7-10.2000112.5D242 R248D242-D244 VanDerWaalsContact C-N 3.3Å; D242-D244 PolarHBondContact O-N 3.34Å; D244-R248 VanDerWaalsContact O-CG 3.3Å; D244-R248 WeakPolarHBondContact O-CG 3.31Å; D244-R248 PolarHBondContact O-N 3.43Å
245E77.9Confident73Confident81 Ų8171.6 Ų71.638%0.37937%0.37SS..Hα-helixtrans-76.1-39.5-179.7-163.267.5-165.700112.1R201 D243 Q247 R248 I249R201-E245 VanDerWaalsContact NH2-CB 3.25Å; D243-E245 PolarHBondContact O-N 3.19Å; D243-E245 PolarHBondContact OD1-N 3.49Å; E245-Q247 PolarHBondContact O-N 3.06Å; E245-R248 WeakPolarHBondContact O-CB 3.46Å; E245-R248 PolarHBondContact O-N 3.4Å; E245-R248 VanDerWaalsContact O-N 3.14Å; E245-R248 WeakPolarHBondContact OE2-CD 3.3Å; E245-I249 HydrophobicContact CG-CD1 4.3Å; E245-I249 WeakPolarHBondContact O-CB 3.25Å; E245-I249 VanDerWaalsContact O-CG1 3.25Å; E245-I249 WeakPolarHBondContact O-CG1 3.41Å; E245-I249 PolarHBondContact O-N 3.35Å
246L79.2Confident74Confident19 Ų1971.2 Ų71.210%0.09937%0.369CS..Hα-helixtrans-61.5-35.9174.1-176.265000111.1F235 T238 D243 I249 H250F235-L246 HydrophobicContact CD1-CD1 4.26Å; T238-L246 HydrophobicContact CG2-CD2 4.48Å; T238-L246 WeakPolarHBondContact OG1-CD2 3.26Å; D243-L246 HydrophobicContact CB-CB 3.9Å; D243-L246 PolarHBondContact O-N 2.71Å; L246-I249 PolarHBondContact O-N 3.26Å; L246-H250 WeakPolarHBondContact O-CB 3.42Å; L246-H250 PolarHBondContact O-N 2.97Å
247Q79.9Confident75.2Confident20 Ų2066.8 Ų66.89%0.09334%0.341CS..Hα-helixtrans-67.1-41.3174.6-62.2-174.335.700111.8E241 D243 E245 H250 V251 I280 L282E241-Q247 PolarHBondContact O-NE2 2.93Å; D243-Q247 PolarHBondContact O-N 3.45Å; D243-Q247 VanDerWaalsContact O-N 3.1Å; E245-Q247 PolarHBondContact O-N 3.06Å; Q247-H250 PolarHBondContact O-N 3.26Å; Q247-V251 WeakPolarHBondContact O-CG2 3.43Å; Q247-V251 PolarHBondContact O-N 3.33Å; Q247-I280 HydrophobicContact CB-CG2 3.97Å; Q247-I280 HydrophobicContact CG-CG2 4.29Å; Q247-L282 HydrophobicContact CB-CB 3.95Å; Q247-L282 HydrophobicContact CB-CD2 4.33Å; Q247-L282 VanDerWaalsContact OE1-CB 3.25Å
248R84.3Confident76.8Confident128 Ų12862.6 Ų62.648%0.48332%0.315SS..Hα-helixtrans-59.8-46.1172.8-73168.1-174.2-110.91.4111.9D244 E245 H250 V251 Q252 L282D244-R248 VanDerWaalsContact O-CG 3.3Å; D244-R248 WeakPolarHBondContact O-CG 3.31Å; D244-R248 PolarHBondContact O-N 3.43Å; E245-R248 WeakPolarHBondContact O-CB 3.46Å; E245-R248 PolarHBondContact O-N 3.4Å; E245-R248 VanDerWaalsContact O-N 3.14Å; E245-R248 WeakPolarHBondContact OE2-CD 3.3Å; R248-H250 VanDerWaalsContact C-N 3.28Å; R248-H250 PolarHBondContact O-N 3.04Å; R248-V251 PolarHBondContact O-N 3.39Å; R248-Q252 WeakPolarHBondContact O-CG 3.46Å; R248-Q252 PolarHBondContact O-N 3.01Å; R248-L282 HydrophobicContact CB-CD2 4.48Å; R248-L282 HydrophobicContact CG-CD2 3.59Å
249I85Confident78.4Confident2 Ų265.1 Ų65.11%0.0132%0.321CS..Hα-helixtrans-58.3-42.7175-70.4168.5000110.2R201 I204 D205 L208 F235 E245 L246 Q252 Y253R201-I249 HydrophobicContact CG-CD1 4.23Å; I204-I249 HydrophobicContact CB-CG2 4.46Å; I204-I249 HydrophobicContact CG2-CG2 3.47Å; I204-I249 VanDerWaalsContact CG2-CG2 3.47Å; D205-I249 WeakPolarHBondContact OD1-CD1 3.36Å; L208-I249 HydrophobicContact CD1-CB 4.23Å; L208-I249 HydrophobicContact CD1-CG2 3.41Å; L208-I249 VanDerWaalsContact CD1-CG2 3.41Å; F235-I249 HydrophobicContact CE1-CG2 4.03Å; E245-I249 HydrophobicContact CG-CD1 4.3Å; E245-I249 WeakPolarHBondContact O-CB 3.25Å; E245-I249 VanDerWaalsContact O-CG1 3.25Å; E245-I249 WeakPolarHBondContact O-CG1 3.41Å; E245-I249 PolarHBondContact O-N 3.35Å; L246-I249 PolarHBondContact O-N 3.26Å; I249-Q252 PolarHBondContact O-N 3.44Å; I249-Y253 WeakPolarHBondContact O-CB 3.47Å; I249-Y253 PolarHBondContact O-N 3.44Å
250H84.7Confident80.2Confident28 Ų2859 Ų5913%0.1328%0.283CS..Hα-helixtrans-66.4-41.5177.9-165.456.1000112.3F235 L246 Q247 R248 Y253 Q254 I280F235-H250 HydrophobicContact CD1-CB 3.73Å; F235-H250 AromaticContact CD1-CG 3.74Å; F235-H250 AromaticContact CD1-ND1 3.21Å; F235-H250 WeakPolarHBondContact CD1-ND1 3.36Å; F235-H250 AromaticContact CD2-CE1 3.49Å; F235-H250 VanDerWaalsContact CD2-CE1 3.49Å; F235-H250 WeakPolarHBondContact CD2-CE1 3.27Å; F235-H250 AromaticContact CD2-ND1 3.21Å; F235-H250 WeakPolarHBondContact CD2-ND1 3.48Å; F235-H250 HydrophobicContact CE1-CB 4.03Å; F235-H250 AromaticContact CE1-ND1 3.58Å; F235-H250 AromaticContact CE2-ND1 3.57Å; F235-H250 HydrophobicContact CG-CB 4.33Å; F235-H250 AromaticContact CG-CE1 3.54Å; F235-H250 AromaticContact CG-CG 3.83Å; F235-H250 AromaticContact CG-ND1 2.99Å; F235-H250 WeakPolarHBondContact CG-ND1 3.43Å; F235-H250 AromaticContact CZ-ND1 3.74Å; L246-H250 WeakPolarHBondContact O-CB 3.42Å; L246-H250 PolarHBondContact O-N 2.97Å; Q247-H250 PolarHBondContact O-N 3.26Å; R248-H250 VanDerWaalsContact C-N 3.28Å; R248-H250 PolarHBondContact O-N 3.04Å; H250-Y253 WeakPolarHBondContact O-CB 3.39Å; H250-Y253 PolarHBondContact O-N 3.2Å; H250-Q254 PolarHBondContact CE1-NE2 3.05Å; H250-Q254 PolarHBondContact NE2-NE2 3.31Å; H250-Q254 WeakPolarHBondContact O-CG 3.24Å; H250-Q254 PolarHBondContact O-N 3.26Å; H250-I280 HydrophobicContact CB-CD1 4.34Å; H250-I280 WeakPolarHBondContact CD2-CD1 3.44Å
251V87.3Confident81.9Confident20 Ų2053.8 Ų53.812%0.12126%0.256CS..Hα-helixtrans-60.3-49.4174.1172.90000110.8Q247 R248 Y253 Q254 E255 M277 I280 V283Q247-V251 WeakPolarHBondContact O-CG2 3.43Å; Q247-V251 PolarHBondContact O-N 3.33Å; R248-V251 PolarHBondContact O-N 3.39Å; V251-Y253 VanDerWaalsContact C-N 3.28Å; V251-Y253 PolarHBondContact O-N 2.88Å; V251-Q254 PolarHBondContact O-N 3.15Å; V251-E255 HydrophobicContact CG1-CG 4.35Å; V251-E255 WeakPolarHBondContact O-CG 3.49Å; V251-E255 PolarHBondContact O-N 2.72Å; V251-M277 HydrophobicContact CG1-SD 4.33Å; V251-I280 HydrophobicContact CG2-CD1 3.64Å; V251-I280 HydrophobicContact CG2-CG2 4.25Å; V251-V283 HydrophobicContact CG2-CG2 3.56Å
252Q87.4Confident83.5Confident96 Ų9649.5 Ų49.545%0.44924%0.236SC..Hα-helixtrans-58-41.1177.8-72.6177.1200112.1R248 I249 E255 L256R248-Q252 WeakPolarHBondContact O-CG 3.46Å; R248-Q252 PolarHBondContact O-N 3.01Å; I249-Q252 PolarHBondContact O-N 3.44Å; Q252-E255 PolarHBondContact O-N 2.92Å; Q252-L256 WeakPolarHBondContact O-CG 2.98Å; Q252-L256 PolarHBondContact O-N 2.85Å
253Y89.2Confident84.9Confident19 Ų1946.6 Ų46.68%0.07522%0.221CC..Hα-helixtrans-58.5-49.2173.6178.1-110.7000111.6L208 L211 I230 F235 I249 H250 V251 E255 L256 M257L208-Y253 HydrophobicContact CD2-CD2 3.67Å; L208-Y253 HydrophobicContact CD2-CG 4.14Å; L211-Y253 HydrophobicContact CD2-CD2 4.17Å; L211-Y253 HydrophobicContact CD2-CE2 4.3Å; I230-Y253 HydrophobicContact CB-CE2 4.04Å; I230-Y253 HydrophobicContact CD1-CD2 3.72Å; I230-Y253 HydrophobicContact CD1-CE2 3.63Å; I230-Y253 HydrophobicContact CG1-CE2 4.42Å; I230-Y253 HydrophobicContact CG2-CD2 4.33Å; I230-Y253 HydrophobicContact CG2-CE2 4.01Å; F235-Y253 AromaticContact CE2-CD1 3.89Å; F235-Y253 HydrophobicContact CE2-CD1 3.89Å; F235-Y253 HydrophobicContact CE2-CE1 4.2Å; F235-Y253 HydrophobicContact CE2-CG 4.26Å; F235-Y253 HydrophobicContact CZ-CD1 4.13Å; F235-Y253 HydrophobicContact CZ-CG 4.06Å; I249-Y253 WeakPolarHBondContact O-CB 3.47Å; I249-Y253 PolarHBondContact O-N 3.44Å; H250-Y253 WeakPolarHBondContact O-CB 3.39Å; H250-Y253 PolarHBondContact O-N 3.2Å; V251-Y253 VanDerWaalsContact C-N 3.28Å; V251-Y253 PolarHBondContact O-N 2.88Å; Y253-E255 PolarHBondContact O-N 3.34Å; Y253-L256 PolarHBondContact O-N 3.44Å; Y253-M257 HydrophobicContact CD1-CG 4.33Å; Y253-M257 HydrophobicContact CD2-CG 4.13Å; Y253-M257 HydrophobicContact CE1-CG 3.94Å; Y253-M257 HydrophobicContact CE2-CG 3.73Å; Y253-M257 HydrophobicContact CE2-SD 3.98Å; Y253-M257 HydrophobicContact CG-CG 4.43Å; Y253-M257 WeakPolarHBondContact O-CB 3.12Å; Y253-M257 VanDerWaalsContact O-CG 3.26Å; Y253-M257 WeakPolarHBondContact O-CG 3.42Å; Y253-M257 PolarHBondContact O-N 3.44Å
254Q90.2Very high85.5Confident7 Ų749.1 Ų49.13%0.03323%0.231CC..Hα-helixtrans-63.2-41.7180-61.2-56-17.800111.8H250 V251 L256 M257 I258 H273 T276 M277H250-Q254 PolarHBondContact CE1-NE2 3.05Å; H250-Q254 PolarHBondContact NE2-NE2 3.31Å; H250-Q254 WeakPolarHBondContact O-CG 3.24Å; H250-Q254 PolarHBondContact O-N 3.26Å; V251-Q254 PolarHBondContact O-N 3.15Å; Q254-L256 PolarHBondContact O-N 2.97Å; Q254-M257 PolarHBondContact O-N 3.19Å; Q254-I258 WeakPolarHBondContact O-CD1 3.32Å; Q254-I258 VanDerWaalsContact O-CG1 3.25Å; Q254-I258 WeakPolarHBondContact O-CG1 3.36Å; Q254-I258 PolarHBondContact O-N 3.42Å; Q254-H273 PolarHBondContact OE1-ND1 2.93Å; Q254-T276 VanDerWaalsContact NE2-CG2 3.32Å; Q254-M277 HydrophobicContact CB-CB 4.35Å; Q254-M277 HydrophobicContact CB-CG 4.49Å; Q254-M277 HydrophobicContact CB-SD 4.02Å; Q254-M277 HydrophobicContact CG-CB 4.39Å
255E90Very high85.8Confident99 Ų9952.1 Ų52.146%0.46324%0.239SC..Hα-helixtrans-60.8-43.6176.7-71.8177.3172.300112.3V251 Q252 Y253 I258 K259 M277V251-E255 HydrophobicContact CG1-CG 4.35Å; V251-E255 WeakPolarHBondContact O-CG 3.49Å; V251-E255 PolarHBondContact O-N 2.72Å; Q252-E255 PolarHBondContact O-N 2.92Å; Y253-E255 PolarHBondContact O-N 3.34Å; E255-I258 PolarHBondContact O-N 3.33Å; E255-K259 PolarHBondContact O-N 3.05Å; E255-M277 HydrophobicContact CG-SD 4.3Å
256L90Very high86.2Confident18 Ų1851.4 Ų51.49%0.09424%0.238CC..Hα-helixtrans-65.4-41.1175.5-70.8173.4000111.5L208 L211 R212 V215 Q252 Y253 Q254 I258 K259 V260L208-L256 HydrophobicContact CD2-CD1 4.43Å; L211-L256 HydrophobicContact CB-CD1 4.22Å; L211-L256 HydrophobicContact CD2-CB 3.69Å; L211-L256 HydrophobicContact CD2-CD1 3.99Å; L211-L256 HydrophobicContact CD2-CG 4.49Å; L211-L256 HydrophobicContact CG-CB 4.06Å; L211-L256 HydrophobicContact CG-CD1 4.05Å; R212-L256 HydrophobicContact CB-CD1 4.09Å; R212-L256 HydrophobicContact CB-CD2 4.19Å; R212-L256 HydrophobicContact CG-CD2 4.29Å; V215-L256 HydrophobicContact CB-CD2 4.4Å; V215-L256 HydrophobicContact CG2-CD2 4.43Å; Q252-L256 WeakPolarHBondContact O-CG 2.98Å; Q252-L256 PolarHBondContact O-N 2.85Å; Y253-L256 PolarHBondContact O-N 3.44Å; Q254-L256 PolarHBondContact O-N 2.97Å; L256-I258 VanDerWaalsContact C-N 3.33Å; L256-I258 PolarHBondContact O-N 2.89Å; L256-K259 WeakPolarHBondContact O-CB 3.13Å; L256-K259 PolarHBondContact O-N 3.14Å; L256-V260 WeakPolarHBondContact O-CG2 3.14Å; L256-V260 PolarHBondContact O-N 3.5Å; L256-V260 VanDerWaalsContact O-N 3.08Å
257M89.2Confident86.5Confident19 Ų1951.5 Ų51.59%0.09424%0.238CC..Hα-helixtrans-66.1-34.6177.1-71.8-56.1-5800112.8L211 S227 Y253 Q254 V260 A261 H273L211-M257 HydrophobicContact CD2-SD 4.25Å; S227-M257 WeakPolarHBondContact CB-SD 3.34Å; Y253-M257 HydrophobicContact CD1-CG 4.33Å; Y253-M257 HydrophobicContact CD2-CG 4.13Å; Y253-M257 HydrophobicContact CE1-CG 3.94Å; Y253-M257 HydrophobicContact CE2-CG 3.73Å; Y253-M257 HydrophobicContact CE2-SD 3.98Å; Y253-M257 HydrophobicContact CG-CG 4.43Å; Y253-M257 WeakPolarHBondContact O-CB 3.12Å; Y253-M257 VanDerWaalsContact O-CG 3.26Å; Y253-M257 WeakPolarHBondContact O-CG 3.42Å; Y253-M257 PolarHBondContact O-N 3.44Å; Q254-M257 PolarHBondContact O-N 3.19Å; M257-V260 PolarHBondContact O-N 3.09Å; M257-A261 WeakPolarHBondContact O-CB 3.29Å; M257-A261 PolarHBondContact O-N 3.1Å; M257-H273 VanDerWaalsContact CB-CE1 3.49Å; M257-H273 WeakPolarHBondContact CB-CE1 3.34Å
258I89.3Confident86.9Confident10 Ų1051.8 Ų51.85%0.05124%0.239CC..Hα-helixtrans-60.4-46.7172.5-71.3159.8000110Q254 E255 L256 V260 A261 E262 I270 H273 Y274 M277Q254-I258 WeakPolarHBondContact O-CD1 3.32Å; Q254-I258 VanDerWaalsContact O-CG1 3.25Å; Q254-I258 WeakPolarHBondContact O-CG1 3.36Å; Q254-I258 PolarHBondContact O-N 3.42Å; E255-I258 PolarHBondContact O-N 3.33Å; L256-I258 VanDerWaalsContact C-N 3.33Å; L256-I258 PolarHBondContact O-N 2.89Å; I258-V260 VanDerWaalsContact C-N 3.29Å; I258-V260 PolarHBondContact O-N 3.46Å; I258-A261 PolarHBondContact O-N 2.98Å; I258-E262 HydrophobicContact CG2-CG 4.29Å; I258-E262 WeakPolarHBondContact O-CB 3.48Å; I258-E262 VanDerWaalsContact O-CG 3.3Å; I258-E262 WeakPolarHBondContact O-CG 3.1Å; I258-E262 PolarHBondContact O-N 3.05Å; I258-I270 HydrophobicContact CG1-CG2 4.49Å; I258-I270 HydrophobicContact CG2-CG2 4.12Å; I258-H273 HydrophobicContact CD1-CB 4.26Å; I258-H273 HydrophobicContact CG1-CB 3.68Å; I258-Y274 HydrophobicContact CD1-CD1 4.01Å; I258-Y274 HydrophobicContact CD1-CD2 4.19Å; I258-Y274 HydrophobicContact CD1-CE1 3.73Å; I258-Y274 HydrophobicContact CD1-CE2 3.91Å; I258-Y274 HydrophobicContact CD1-CG 4.23Å; I258-Y274 HydrophobicContact CG1-CE2 4.27Å; I258-Y274 HydrophobicContact CG2-CE2 4.21Å; I258-M277 HydrophobicContact CD1-CE 4.41Å
259K87.5Confident87Confident110 Ų11046.6 Ų46.648%0.47822%0.223SC..Hα-helixtrans-60.2-38.7177-68178.1-180179.80112.4V215 E255 L256 N263V215-K259 HydrophobicContact CG1-CB 3.82Å; V215-K259 HydrophobicContact CG1-CD 3.72Å; V215-K259 HydrophobicContact CG1-CG 4.43Å; E255-K259 PolarHBondContact O-N 3.05Å; L256-K259 WeakPolarHBondContact O-CB 3.13Å; L256-K259 PolarHBondContact O-N 3.14Å; K259-N263 PolarHBondContact O-N 2.9Å
260V88Confident87.1Confident1 Ų146.5 Ų46.51%0.00622%0.223CC..Hα-helixtrans-64.9-49.5175.9176.50000111L211 V215 F220 A223 N224 L256 M257 I258 E262 N263 E264L211-V260 HydrophobicContact CD1-CG2 4.41Å; V215-V260 HydrophobicContact CG2-CG2 3.67Å; F220-V260 HydrophobicContact CD1-CB 4.38Å; F220-V260 HydrophobicContact CD1-CG1 4.48Å; F220-V260 HydrophobicContact CD1-CG2 4.2Å; A223-V260 HydrophobicContact CB-CG2 3.82Å; N224-V260 VanDerWaalsContact OD1-CG1 3.24Å; N224-V260 WeakPolarHBondContact OD1-CG1 3.4Å; L256-V260 WeakPolarHBondContact O-CG2 3.14Å; L256-V260 PolarHBondContact O-N 3.5Å; L256-V260 VanDerWaalsContact O-N 3.08Å; M257-V260 PolarHBondContact O-N 3.09Å; I258-V260 VanDerWaalsContact C-N 3.29Å; I258-V260 PolarHBondContact O-N 3.46Å; V260-E262 VanDerWaalsContact C-N 3.3Å; V260-E262 PolarHBondContact O-N 3.41Å; V260-N263 PolarHBondContact O-N 3.21Å; V260-E264 PolarHBondContact O-N 3.3Å
261A87.2Confident87.2Confident4 Ų445.2 Ų45.23%0.03322%0.216CC..Hα-helixtrans-67.1-29.5-179.900000113M257 I258 N263 E264 K265 D266 A269 I270M257-A261 WeakPolarHBondContact O-CB 3.29Å; M257-A261 PolarHBondContact O-N 3.1Å; I258-A261 PolarHBondContact O-N 2.98Å; A261-N263 VanDerWaalsContact C-N 3.34Å; A261-E264 PolarHBondContact O-N 3.24Å; A261-K265 PolarHBondContact O-N 3.45Å; A261-D266 PolarHBondContact O-N 3.17Å; A261-D266 VanDerWaalsContact O-N 3.15Å; A261-A269 HydrophobicContact CB-CB 4Å; A261-I270 HydrophobicContact CB-CD1 4.44Å; A261-I270 HydrophobicContact CB-CG1 3.55Å
262E86.1Confident87.2Confident65 Ų6551.4 Ų51.430%0.30424%0.238SC..Hα-helixtrans-62.1-40.2172.1-80.7-172.5149.400112.4I258 V260 E264 K265 I270 Y300 R379I258-E262 HydrophobicContact CG2-CG 4.29Å; I258-E262 WeakPolarHBondContact O-CB 3.48Å; I258-E262 VanDerWaalsContact O-CG 3.3Å; I258-E262 WeakPolarHBondContact O-CG 3.1Å; I258-E262 PolarHBondContact O-N 3.05Å; V260-E262 VanDerWaalsContact C-N 3.3Å; V260-E262 PolarHBondContact O-N 3.41Å; E262-E264 VanDerWaalsContact C-N 3.34Å; E262-K265 PolarHBondContact O-N 2.93Å; E262-I270 HydrophobicContact CB-CD1 4.31Å; E262-I270 HydrophobicContact CG-CD1 3.52Å; E262-I270 HydrophobicContact CG-CG1 4.29Å; E262-Y300 PolarHBondContact OE1-OH 3.49Å; E262-R379 IonicContact OE1-CZ 3.28Å; E262-R379 IonicContact OE1-NH1 3.41Å; E262-R379 IonicContact OE1-NH2 3.32Å; E262-R379 PolarHBondContact OE1-NH2 2.96Å
263N84.5Confident87.2Confident87 Ų8748.3 Ų48.347%0.46522%0.223SC..Hα-helixtrans-67.8-35.8175.3-177.771.4000112.2F220 K259 V260 A261 K265F220-N263 HydrophobicContact CD1-CB 3.74Å; F220-N263 HydrophobicContact CD2-CB 3.72Å; F220-N263 WeakPolarHBondContact CD2-ND2 3.22Å; F220-N263 HydrophobicContact CE1-CB 3.69Å; F220-N263 HydrophobicContact CE2-CB 3.66Å; F220-N263 WeakPolarHBondContact CE2-OD1 2.98Å; F220-N263 HydrophobicContact CG-CB 3.74Å; F220-N263 VanDerWaalsContact CG-ND2 3.32Å; F220-N263 WeakPolarHBondContact CG-ND2 3.47Å; F220-N263 HydrophobicContact CZ-CB 3.64Å; K259-N263 PolarHBondContact O-N 2.9Å; V260-N263 PolarHBondContact O-N 3.21Å; A261-N263 VanDerWaalsContact C-N 3.34Å; N263-K265 PolarHBondContact O-N 3.32Å
264E83.6Confident87.1Confident101 Ų10148.5 Ų48.547%0.47222%0.224SC..Hα-helixtrans-73.6-10.5174.9-63.7-172149.700113.6N224 V260 A261 E262 D266N224-E264 PolarHBondContact ND2-OE1 3.25Å; V260-E264 PolarHBondContact O-N 3.3Å; A261-E264 PolarHBondContact O-N 3.24Å; E262-E264 VanDerWaalsContact C-N 3.34Å; E264-D266 PolarHBondContact O-N 3.18Å
265K81.7Confident86.9Confident160 Ų16049.4 Ų49.470%0.69623%0.229SC*.THydrogen-bonded Turntrans58.125.7-172.6-54.8178.4-178.9176.80113A261 E262 N263 Y267A261-K265 PolarHBondContact O-N 3.45Å; E262-K265 PolarHBondContact O-N 2.93Å; N263-K265 PolarHBondContact O-N 3.32Å; K265-Y267 PolarHBondContact O-N 3.21Å
266D85.5Confident86.8Confident66 Ų6647.2 Ų47.235%0.35322%0.222SC..  trans-8887.8174.9-171.7-11.3000110.4A261 E264 F268 A269 I270A261-D266 PolarHBondContact O-N 3.17Å; A261-D266 VanDerWaalsContact O-N 3.15Å; E264-D266 PolarHBondContact O-N 3.18Å; D266-F268 PolarHBondContact O-N 2.99Å; D266-F268 WeakPolarHBondContact OD1-CB 3.43Å; D266-F268 PolarHBondContact OD1-N 3.5Å; D266-A269 HydrophobicContact CB-CB 3.99Å; D266-A269 PolarHBondContact O-N 3.47Å; D266-A269 PolarHBondContact OD1-N 3.2Å; D266-A269 WeakPolarHBondContact OD2-CB 3.37Å; D266-I270 WeakPolarHBondContact O-CG1 3.34Å; D266-I270 PolarHBondContact O-N 3.17Å
267Y87.1Confident86.5Confident22 Ų2247 Ų479%0.08622%0.221CC..Hα-helixtrans-62.3-27.2177.6-57.4-50.9000113.4K265 I270 C271 Y300 L303 R379 N382K265-Y267 PolarHBondContact O-N 3.21Å; Y267-I270 HydrophobicContact CD1-CD1 4.22Å; Y267-C271 WeakPolarHBondContact O-CB 3.48Å; Y267-C271 PolarHBondContact O-N 3.31Å; Y267-Y300 AromaticContact CD1-CD1 3.84Å; Y267-Y300 HydrophobicContact CD1-CD1 3.84Å; Y267-Y300 HydrophobicContact CD1-CE1 4.02Å; Y267-Y300 HydrophobicContact CE1-CE1 4.48Å; Y267-L303 HydrophobicContact CD1-CB 4.41Å; Y267-L303 HydrophobicContact CD2-CB 4.02Å; Y267-L303 WeakPolarHBondContact CD2-O 3.48Å; Y267-L303 HydrophobicContact CG-CB 3.96Å; Y267-R379 HydrophobicContact CE1-CG 4.42Å; Y267-N382 HydrophobicContact CE2-CB 4.5Å; Y267-N382 PolarHBondContact OH-ND2 3.37Å
268F86.3Confident86.3Confident26 Ų2646.6 Ų46.611%0.11422%0.22CC..Hα-helixtrans-74-42.1179.9-173.9-100.7000111D266 I270 C271 R272 E309 Q310 L313D266-F268 PolarHBondContact O-N 2.99Å; D266-F268 WeakPolarHBondContact OD1-CB 3.43Å; D266-F268 PolarHBondContact OD1-N 3.5Å; F268-I270 VanDerWaalsContact C-N 3.35Å; F268-I270 PolarHBondContact O-N 2.96Å; F268-C271 WeakPolarHBondContact O-CB 3.37Å; F268-C271 PolarHBondContact O-N 3.12Å; F268-R272 HydrophobicContact CD1-CG 4.49Å; F268-R272 HydrophobicContact CE1-CG 4.17Å; F268-R272 HydrophobicContact CZ-CG 4.48Å; F268-R272 PolarHBondContact O-N 2.94Å; F268-E309 WeakPolarHBondContact CE1-OE2 3.33Å; F268-E309 HydrophobicContact CE2-CB 3.94Å; F268-E309 HydrophobicContact CZ-CB 3.59Å; F268-E309 HydrophobicContact CZ-CG 4.47Å; F268-E309 WeakPolarHBondContact CZ-OE2 3.44Å; F268-Q310 HydrophobicContact CE2-CB 4.47Å; F268-L313 HydrophobicContact CD2-CD1 4.28Å; F268-L313 HydrophobicContact CE2-CD1 3.52Å; F268-L313 HydrophobicContact CZ-CD1 4.1Å
269A86.9Confident86Confident19 Ų1951.7 Ų51.716%0.15724%0.242CC..Hα-helixtrans-58.6-46.417200000111.4A261 D266 C271 R272 H273A261-A269 HydrophobicContact CB-CB 4Å; D266-A269 HydrophobicContact CB-CB 3.99Å; D266-A269 PolarHBondContact O-N 3.47Å; D266-A269 PolarHBondContact OD1-N 3.2Å; D266-A269 WeakPolarHBondContact OD2-CB 3.37Å; A269-C271 VanDerWaalsContact C-N 3.3Å; A269-C271 PolarHBondContact O-N 2.78Å; A269-R272 WeakPolarHBondContact O-CB 3.45Å; A269-R272 PolarHBondContact O-N 3.21Å; A269-R272 VanDerWaalsContact O-N 3.11Å; A269-H273 PolarHBondContact O-CD2 2.99Å; A269-H273 PolarHBondContact O-N 2.72Å
270I87.5Confident85.8Confident0 Ų046.9 Ų46.90%022%0.221CC..Hα-helixtrans-56.6-45.9176.1-63.3166.6000111.2I258 A261 E262 D266 Y267 F268 R272 H273 Y274 Y300I258-I270 HydrophobicContact CG1-CG2 4.49Å; I258-I270 HydrophobicContact CG2-CG2 4.12Å; A261-I270 HydrophobicContact CB-CD1 4.44Å; A261-I270 HydrophobicContact CB-CG1 3.55Å; E262-I270 HydrophobicContact CB-CD1 4.31Å; E262-I270 HydrophobicContact CG-CD1 3.52Å; E262-I270 HydrophobicContact CG-CG1 4.29Å; D266-I270 WeakPolarHBondContact O-CG1 3.34Å; D266-I270 PolarHBondContact O-N 3.17Å; Y267-I270 HydrophobicContact CD1-CD1 4.22Å; F268-I270 VanDerWaalsContact C-N 3.35Å; F268-I270 PolarHBondContact O-N 2.96Å; I270-R272 VanDerWaalsContact C-N 3.33Å; I270-R272 PolarHBondContact O-N 2.86Å; I270-H273 PolarHBondContact O-N 3.23Å; I270-H273 VanDerWaalsContact O-N 3.16Å; I270-Y274 HydrophobicContact CG2-CD2 3.58Å; I270-Y274 HydrophobicContact CG2-CE2 3.4Å; I270-Y274 VanDerWaalsContact O-CD2 3.31Å; I270-Y274 WeakPolarHBondContact O-CD2 3.38Å; I270-Y274 PolarHBondContact O-N 3.42Å; I270-Y300 HydrophobicContact CB-CD1 4.04Å; I270-Y300 HydrophobicContact CB-CE1 4.39Å; I270-Y300 HydrophobicContact CB-CG 4.19Å; I270-Y300 HydrophobicContact CD1-CD1 3.94Å; I270-Y300 HydrophobicContact CD1-CE1 3.65Å; I270-Y300 HydrophobicContact CG2-CD1 3.63Å; I270-Y300 HydrophobicContact CG2-CD2 3.54Å; I270-Y300 HydrophobicContact CG2-CE1 3.79Å; I270-Y300 HydrophobicContact CG2-CE2 3.75Å; I270-Y300 HydrophobicContact CG2-CG 3.5Å; I270-Y300 VanDerWaalsContact CG2-CG 3.5Å
271C86.6Confident85.4Confident0 Ų050 Ų500%024%0.242CC..Hα-helixtrans-57.2-44.6176.7-1760000111.7Y267 F268 A269 H273 Y274 L275 F297 A301Y267-C271 WeakPolarHBondContact O-CB 3.48Å; Y267-C271 PolarHBondContact O-N 3.31Å; F268-C271 WeakPolarHBondContact O-CB 3.37Å; F268-C271 PolarHBondContact O-N 3.12Å; A269-C271 VanDerWaalsContact C-N 3.3Å; A269-C271 PolarHBondContact O-N 2.78Å; C271-H273 VanDerWaalsContact C-N 3.34Å; C271-H273 PolarHBondContact O-N 3.01Å; C271-Y274 PolarHBondContact O-N 2.68Å; C271-L275 PolarHBondContact O-N 3.21Å; C271-F297 VanDerWaalsContact O-CD2 3.24Å; C271-F297 WeakPolarHBondContact O-CD2 3.35Å; C271-F297 WeakPolarHBondContact SG-CD2 3.11Å; C271-F297 WeakPolarHBondContact SG-CE2 3.44Å; C271-A301 VanDerWaalsContact SG-CB 3.59Å
272R87.1Confident84.9Confident151 Ų15152.6 Ų52.657%0.5725%0.254SS*.Hα-helixtrans-63.6-37.2176.1-69.9-17863.1-172.8-0.1113.2F268 A269 I270 L275 T276F268-R272 HydrophobicContact CD1-CG 4.49Å; F268-R272 HydrophobicContact CE1-CG 4.17Å; F268-R272 HydrophobicContact CZ-CG 4.48Å; F268-R272 PolarHBondContact O-N 2.94Å; A269-R272 WeakPolarHBondContact O-CB 3.45Å; A269-R272 PolarHBondContact O-N 3.21Å; A269-R272 VanDerWaalsContact O-N 3.11Å; I270-R272 VanDerWaalsContact C-N 3.33Å; I270-R272 PolarHBondContact O-N 2.86Å; R272-L275 PolarHBondContact O-N 2.92Å; R272-T276 PolarHBondContact O-N 2.81Å; R272-T276 PolarHBondContact O-OG1 3.43Å
273H87.7Confident84.5Confident31 Ų3149.9 Ų49.914%0.14424%0.242CC..Hα-helixtrans-65.6-45.2175.9-70-60.5000111.3Q254 M257 I258 A269 I270 C271 L275 T276 M277Q254-H273 PolarHBondContact OE1-ND1 2.93Å; M257-H273 VanDerWaalsContact CB-CE1 3.49Å; M257-H273 WeakPolarHBondContact CB-CE1 3.34Å; I258-H273 HydrophobicContact CD1-CB 4.26Å; I258-H273 HydrophobicContact CG1-CB 3.68Å; A269-H273 PolarHBondContact O-CD2 2.99Å; A269-H273 PolarHBondContact O-N 2.72Å; I270-H273 PolarHBondContact O-N 3.23Å; I270-H273 VanDerWaalsContact O-N 3.16Å; C271-H273 VanDerWaalsContact C-N 3.34Å; C271-H273 PolarHBondContact O-N 3.01Å; H273-L275 PolarHBondContact O-N 3.47Å; H273-T276 PolarHBondContact O-N 3.46Å; H273-M277 WeakPolarHBondContact O-CB 3.46Å; H273-M277 PolarHBondContact O-N 3.4Å
274Y87.6Confident84.1Confident23 Ų2351 Ų519%0.0924%0.243CC..Hα-helixtrans-63.2-37.6173.8-78-66.8000113.2I258 I270 C271 T276 M277 S278 V293 N296 Y300I258-Y274 HydrophobicContact CD1-CD1 4.01Å; I258-Y274 HydrophobicContact CD1-CD2 4.19Å; I258-Y274 HydrophobicContact CD1-CE1 3.73Å; I258-Y274 HydrophobicContact CD1-CE2 3.91Å; I258-Y274 HydrophobicContact CD1-CG 4.23Å; I258-Y274 HydrophobicContact CG1-CE2 4.27Å; I258-Y274 HydrophobicContact CG2-CE2 4.21Å; I270-Y274 HydrophobicContact CG2-CD2 3.58Å; I270-Y274 HydrophobicContact CG2-CE2 3.4Å; I270-Y274 VanDerWaalsContact O-CD2 3.31Å; I270-Y274 WeakPolarHBondContact O-CD2 3.38Å; I270-Y274 PolarHBondContact O-N 3.42Å; C271-Y274 PolarHBondContact O-N 2.68Å; Y274-T276 VanDerWaalsContact C-N 3.31Å; Y274-T276 PolarHBondContact O-N 3.47Å; Y274-M277 HydrophobicContact CD1-CE 3.65Å; Y274-M277 HydrophobicContact CE1-CE 3.72Å; Y274-M277 PolarHBondContact O-N 2.95Å; Y274-S278 PolarHBondContact O-N 3.22Å; Y274-V293 HydrophobicContact CD1-CB 4.5Å; Y274-V293 HydrophobicContact CD1-CG1 4.1Å; Y274-V293 HydrophobicContact CD1-CG2 4.48Å; Y274-V293 WeakPolarHBondContact O-CG1 3.43Å; Y274-N296 HydrophobicContact CD1-CB 3.96Å; Y274-N296 HydrophobicContact CD2-CB 4.13Å; Y274-N296 HydrophobicContact CE1-CB 3.64Å; Y274-N296 HydrophobicContact CE2-CB 3.83Å; Y274-N296 HydrophobicContact CG-CB 4.2Å; Y274-N296 PolarHBondContact OH-ND2 3.38Å; Y274-Y300 AromaticContact CD2-CD2 3.85Å; Y274-Y300 HydrophobicContact CD2-CD2 3.85Å; Y274-Y300 HydrophobicContact CD2-CE2 4.32Å; Y274-Y300 AromaticContact CE2-CD2 3.49Å; Y274-Y300 HydrophobicContact CE2-CD2 3.49Å; Y274-Y300 VanDerWaalsContact CE2-CD2 3.49Å; Y274-Y300 AromaticContact CE2-CE2 3.49Å; Y274-Y300 HydrophobicContact CE2-CE2 3.49Å; Y274-Y300 VanDerWaalsContact CE2-CE2 3.49Å
275L86.6Confident83.7Confident25 Ų2549.3 Ų49.313%0.13125%0.253CS..Hα-helixtrans-64.4-36.2173.9-177.558.7000112.5C271 R272 H273 S278 K279 F297 L313 Y316C271-L275 PolarHBondContact O-N 3.21Å; R272-L275 PolarHBondContact O-N 2.92Å; H273-L275 PolarHBondContact O-N 3.47Å; L275-S278 PolarHBondContact O-OG 2.88Å; L275-K279 WeakPolarHBondContact O-CG 2.9Å; L275-F297 HydrophobicContact CB-CD2 3.94Å; L275-F297 HydrophobicContact CB-CE2 3.6Å; L275-F297 HydrophobicContact CB-CZ 4.26Å; L275-F297 HydrophobicContact CD1-CE1 4.4Å; L275-F297 HydrophobicContact CD1-CE2 4.17Å; L275-F297 HydrophobicContact CD1-CZ 3.97Å; L275-F297 HydrophobicContact CD2-CE2 4.28Å; L275-F297 HydrophobicContact CD2-CZ 4.36Å; L275-F297 HydrophobicContact CG-CE2 4.22Å; L275-F297 HydrophobicContact CG-CZ 4.42Å; L275-L313 HydrophobicContact CD2-CD2 3.99Å; L275-Y316 HydrophobicContact CD1-CE1 4.02Å
276T86.1Confident83.7Confident54 Ų5444.4 Ų44.433%0.33123%0.234SC..Hα-helixtrans-71.2-41176.2-52.80000109.8Q254 R272 H273 Y274 S278 K279 I280Q254-T276 VanDerWaalsContact NE2-CG2 3.32Å; R272-T276 PolarHBondContact O-N 2.81Å; R272-T276 PolarHBondContact O-OG1 3.43Å; H273-T276 PolarHBondContact O-N 3.46Å; Y274-T276 VanDerWaalsContact C-N 3.31Å; Y274-T276 PolarHBondContact O-N 3.47Å; T276-S278 VanDerWaalsContact C-N 3.35Å; T276-S278 PolarHBondContact O-N 3.46Å; T276-K279 PolarHBondContact O-N 3.24Å; T276-K279 VanDerWaalsContact O-N 3.14Å; T276-I280 WeakPolarHBondContact O-CG1 3.37Å
277M84.5Confident83.4Confident12 Ų1245.6 Ų45.66%0.05924%0.244CC..Hα-helixtrans-63.9-36.5177.8-162.8159.580.200113V251 Q254 E255 I258 H273 Y274 K279 I280 V283 V293V251-M277 HydrophobicContact CG1-SD 4.33Å; Q254-M277 HydrophobicContact CB-CB 4.35Å; Q254-M277 HydrophobicContact CB-CG 4.49Å; Q254-M277 HydrophobicContact CB-SD 4.02Å; Q254-M277 HydrophobicContact CG-CB 4.39Å; E255-M277 HydrophobicContact CG-SD 4.3Å; I258-M277 HydrophobicContact CD1-CE 4.41Å; H273-M277 WeakPolarHBondContact O-CB 3.46Å; H273-M277 PolarHBondContact O-N 3.4Å; Y274-M277 HydrophobicContact CD1-CE 3.65Å; Y274-M277 HydrophobicContact CE1-CE 3.72Å; Y274-M277 PolarHBondContact O-N 2.95Å; M277-K279 PolarHBondContact O-N 3.1Å; M277-I280 HydrophobicContact CB-CD1 4.47Å; M277-I280 HydrophobicContact CG-CD1 4.2Å; M277-I280 WeakPolarHBondContact O-CB 3.35Å; M277-I280 WeakPolarHBondContact O-CG1 3.27Å; M277-I280 PolarHBondContact O-N 3.11Å; M277-V283 HydrophobicContact CG-CG2 4.13Å; M277-V293 HydrophobicContact CB-CG1 4.29Å; M277-V293 HydrophobicContact CE-CB 4.27Å; M277-V293 HydrophobicContact CE-CG1 4.15Å; M277-V293 HydrophobicContact CE-CG2 3.2Å; M277-V293 HydrophobicContact CG-CG2 4.47Å
278S84Confident83Confident11 Ų1148.1 Ų48.18%0.07726%0.264CS..THydrogen-bonded Turntrans-68.8-18.717672.10000113.6Y274 L275 T276 K284Y274-S278 PolarHBondContact O-N 3.22Å; L275-S278 PolarHBondContact O-OG 2.88Å; T276-S278 VanDerWaalsContact C-N 3.35Å; T276-S278 PolarHBondContact O-N 3.46Å; S278-K284 WeakPolarHBondContact O-CE 3.37Å; S278-K284 WeakPolarHBondContact O-CG 3.32Å
279K83.9Confident82.6Confident118 Ų11852.9 Ų52.951%0.51329%0.285SS..THydrogen-bonded Turntrans-82.5-16.8177.9-70.2175.6-177.8-175.90113.2L275 T276 M277 K284L275-K279 WeakPolarHBondContact O-CG 2.9Å; T276-K279 PolarHBondContact O-N 3.24Å; T276-K279 VanDerWaalsContact O-N 3.14Å; M277-K279 PolarHBondContact O-N 3.1Å; K279-K284 WeakPolarHBondContact O-CE 3.32Å; K279-K284 PolarHBondContact O-NZ 2.88Å
280I82.8Confident82.3Confident9 Ų953 Ų535%0.04628%0.282CS..SBendtrans-70.1127.7-175.8-52177.7000110.4Q247 H250 V251 T276 M277 L282 V283 K284Q247-I280 HydrophobicContact CB-CG2 3.97Å; Q247-I280 HydrophobicContact CG-CG2 4.29Å; H250-I280 HydrophobicContact CB-CD1 4.34Å; H250-I280 WeakPolarHBondContact CD2-CD1 3.44Å; V251-I280 HydrophobicContact CG2-CD1 3.64Å; V251-I280 HydrophobicContact CG2-CG2 4.25Å; T276-I280 WeakPolarHBondContact O-CG1 3.37Å; M277-I280 HydrophobicContact CB-CD1 4.47Å; M277-I280 HydrophobicContact CG-CD1 4.2Å; M277-I280 WeakPolarHBondContact O-CB 3.35Å; M277-I280 WeakPolarHBondContact O-CG1 3.27Å; M277-I280 PolarHBondContact O-N 3.11Å; I280-L282 VanDerWaalsContact C-N 3.34Å; I280-L282 HydrophobicContact CG2-CB 4.24Å; I280-L282 PolarHBondContact O-N 3.08Å; I280-V283 HydrophobicContact CB-CB 4.37Å; I280-V283 HydrophobicContact CB-CG2 4.11Å; I280-V283 HydrophobicContact CG2-CG2 4.49Å; I280-V283 PolarHBondContact O-N 3.16Å; I280-V283 VanDerWaalsContact O-N 3.14Å; I280-K284 PolarHBondContact O-N 3.14Å
281P79.6Confident82Confident67 Ų6755.6 Ų55.644%0.43529%0.294SS..Hα-helixtrans-56-41.3-178.8-24.132.3000114.2V283 K284 G285P281-V283 VanDerWaalsContact C-N 3.3Å; P281-V283 PolarHBondContact O-N 2.77Å; P281-K284 WeakPolarHBondContact O-CB 3.43Å; P281-K284 PolarHBondContact O-N 3.05Å; P281-K284 VanDerWaalsContact O-N 3.11Å; P281-G285 PolarHBondContact O-N 3.25Å
282L76.4Confident81.8Confident57 Ų5759.3 Ų59.330%0.29831%0.313SS..Hα-helixtrans-58.9-40.2177.9-174.672.6000112.4Q247 R248 I280Q247-L282 HydrophobicContact CB-CB 3.95Å; Q247-L282 HydrophobicContact CB-CD2 4.33Å; Q247-L282 VanDerWaalsContact OE1-CB 3.25Å; R248-L282 HydrophobicContact CB-CD2 4.48Å; R248-L282 HydrophobicContact CG-CD2 3.59Å; I280-L282 VanDerWaalsContact C-N 3.34Å; I280-L282 HydrophobicContact CG2-CB 4.24Å; I280-L282 PolarHBondContact O-N 3.08Å
283V77.5Confident81.6Confident8 Ų852.6 Ų52.65%0.04829%0.288CS..Hα-helixtrans-74.2-38177.2179.90000110.1V251 M277 I280 P281 G285 D286 H290 V293V251-V283 HydrophobicContact CG2-CG2 3.56Å; M277-V283 HydrophobicContact CG-CG2 4.13Å; I280-V283 HydrophobicContact CB-CB 4.37Å; I280-V283 HydrophobicContact CB-CG2 4.11Å; I280-V283 HydrophobicContact CG2-CG2 4.49Å; I280-V283 PolarHBondContact O-N 3.16Å; I280-V283 VanDerWaalsContact O-N 3.14Å; P281-V283 VanDerWaalsContact C-N 3.3Å; P281-V283 PolarHBondContact O-N 2.77Å; V283-G285 VanDerWaalsContact C-N 3.27Å; V283-G285 PolarHBondContact O-N 3.05Å; V283-D286 PolarHBondContact O-N 3.42Å; V283-D286 VanDerWaalsContact O-O 3.13Å; V283-H290 WeakPolarHBondContact O-CB 3.2Å; V283-V293 HydrophobicContact CG1-CG2 4.17Å
284K77.2Confident81.5Confident111 Ų11151.2 Ų51.248%0.48328%0.282SS..Hα-helixtrans-62.9-32.4175.1-72.6177.2175167.30113.1S278 K279 I280 P281 D286S278-K284 WeakPolarHBondContact O-CE 3.37Å; S278-K284 WeakPolarHBondContact O-CG 3.32Å; K279-K284 WeakPolarHBondContact O-CE 3.32Å; K279-K284 PolarHBondContact O-NZ 2.88Å; I280-K284 PolarHBondContact O-N 3.14Å; P281-K284 WeakPolarHBondContact O-CB 3.43Å; P281-K284 PolarHBondContact O-N 3.05Å; P281-K284 VanDerWaalsContact O-N 3.11Å; K284-D286 VanDerWaalsContact C-N 3.35Å
285G75.3Confident81.3Confident66 Ų6650.2 Ų50.268%0.6828%0.278SS*.Hα-helixtrans-71.3-27.1177.300000113.9P281 V283P281-G285 PolarHBondContact O-N 3.25Å; V283-G285 VanDerWaalsContact C-N 3.27Å; V283-G285 PolarHBondContact O-N 3.05Å
286D81.4Confident81.2Confident56 Ų5649.9 Ų49.930%0.29928%0.276SS..  trans-97.493177.7-172.1-18.5000110V283 K284 C288 K289 H290V283-D286 PolarHBondContact O-N 3.42Å; V283-D286 VanDerWaalsContact O-O 3.13Å; K284-D286 VanDerWaalsContact C-N 3.35Å; D286-C288 PolarHBondContact O-N 2.71Å; D286-C288 VanDerWaalsContact O-N 3.15Å; D286-C288 PolarHBondContact OD1-N 3.34Å; D286-K289 HydrophobicContact CB-CB 4.17Å; D286-K289 HydrophobicContact CB-CD 4.35Å; D286-K289 HydrophobicContact CB-CG 4.43Å; D286-K289 PolarHBondContact O-N 3.31Å; D286-K289 PolarHBondContact OD1-N 3.11Å; D286-K289 WeakPolarHBondContact OD2-CD 3.46Å; D286-K289 WeakPolarHBondContact OD2-CE 3.33Å; D286-K289 WeakPolarHBondContact OD2-CG 3.24Å; D286-K289 IonicContact OD2-NZ 3.18Å; D286-K289 PolarHBondContact OD2-NZ 3.33Å; D286-K289 VanDerWaalsContact OD2-NZ 3.07Å; D286-H290 WeakPolarHBondContact O-CB 3.27Å; D286-H290 PolarHBondContact O-N 2.89Å
287T79.1Confident81.2Confident91 Ų9147.3 Ų47.356%0.55826%0.261SS*.Hα-helixtrans-51.3-41-175.6-47.60000112.9H290 E291T287-H290 PolarHBondContact O-N 3.26Å; T287-E291 WeakPolarHBondContact O-CG 3.06Å; T287-E291 PolarHBondContact O-N 2.7Å
288C79Confident81.2Confident76 Ų7646.8 Ų46.851%0.51426%0.258SS..Hα-helixtrans-68.1-47.7-177-1740000111.3D286 H290 E291 M292D286-C288 PolarHBondContact O-N 2.71Å; D286-C288 VanDerWaalsContact O-N 3.15Å; D286-C288 PolarHBondContact OD1-N 3.34Å; C288-H290 VanDerWaalsContact C-N 3.34Å; C288-H290 PolarHBondContact O-N 3.07Å; C288-E291 PolarHBondContact O-N 3.5Å; C288-M292 WeakPolarHBondContact O-CG 3.11Å; C288-M292 PolarHBondContact O-N 2.89Å; C288-M292 VanDerWaalsContact O-N 3.13Å
289K78Confident81.3Confident125 Ų12546.3 Ų46.354%0.54326%0.255SS..Hα-helixtrans-64.5-41.5175.4-70.2-177-167.5150.50111.1D286 E291 M292 V293D286-K289 HydrophobicContact CB-CB 4.17Å; D286-K289 HydrophobicContact CB-CD 4.35Å; D286-K289 HydrophobicContact CB-CG 4.43Å; D286-K289 PolarHBondContact O-N 3.31Å; D286-K289 PolarHBondContact OD1-N 3.11Å; D286-K289 WeakPolarHBondContact OD2-CD 3.46Å; D286-K289 WeakPolarHBondContact OD2-CE 3.33Å; D286-K289 WeakPolarHBondContact OD2-CG 3.24Å; D286-K289 IonicContact OD2-NZ 3.18Å; D286-K289 PolarHBondContact OD2-NZ 3.33Å; D286-K289 VanDerWaalsContact OD2-NZ 3.07Å; K289-E291 VanDerWaalsContact C-N 3.34Å; K289-E291 PolarHBondContact O-N 2.92Å; K289-M292 PolarHBondContact O-N 3.34Å; K289-V293 WeakPolarHBondContact O-CB 3.25Å; K289-V293 VanDerWaalsContact O-CG2 3.24Å; K289-V293 WeakPolarHBondContact O-CG2 3.33Å; K289-V293 PolarHBondContact O-N 2.88Å
290H80Confident81.4Confident21 Ų2140.8 Ų40.810%0.09723%0.231CC..Hα-helixtrans-57.7-48.1178.4-166-8.7000111.5V283 D286 T287 C288 M292 V293 L294V283-H290 WeakPolarHBondContact O-CB 3.2Å; D286-H290 WeakPolarHBondContact O-CB 3.27Å; D286-H290 PolarHBondContact O-N 2.89Å; T287-H290 PolarHBondContact O-N 3.26Å; C288-H290 VanDerWaalsContact C-N 3.34Å; C288-H290 PolarHBondContact O-N 3.07Å; H290-M292 PolarHBondContact O-N 3.34Å; H290-V293 PolarHBondContact O-N 2.85Å; H290-L294 WeakPolarHBondContact ND1-CG 3.24Å; H290-L294 VanDerWaalsContact O-CG 3.31Å; H290-L294 WeakPolarHBondContact O-CG 3.09Å; H290-L294 PolarHBondContact O-N 2.85Å
291E81.9Confident81.7Confident55 Ų5540.4 Ų40.426%0.25723%0.228SC..Hα-helixtrans-60.2-45.2177.9-77-179.2-163.300112T287 C288 K289 V293 L294 K295T287-E291 WeakPolarHBondContact O-CG 3.06Å; T287-E291 PolarHBondContact O-N 2.7Å; C288-E291 PolarHBondContact O-N 3.5Å; K289-E291 VanDerWaalsContact C-N 3.34Å; K289-E291 PolarHBondContact O-N 2.92Å; E291-V293 VanDerWaalsContact C-N 3.32Å; E291-V293 PolarHBondContact O-N 3.35Å; E291-L294 PolarHBondContact O-N 3.23Å; E291-K295 VanDerWaalsContact O-CG 3.27Å; E291-K295 WeakPolarHBondContact O-CG 3.47Å; E291-K295 PolarHBondContact O-N 3.42Å; E291-K295 IonicContact OE2-NZ 2.63Å
292M81.1Confident82Confident79 Ų7937.3 Ų37.339%0.38921%0.208SC..Hα-helixtrans-60.7-42177.1-70.7-178.272.300112C288 K289 H290 L294 K295 N296C288-M292 WeakPolarHBondContact O-CG 3.11Å; C288-M292 PolarHBondContact O-N 2.89Å; C288-M292 VanDerWaalsContact O-N 3.13Å; K289-M292 PolarHBondContact O-N 3.34Å; H290-M292 PolarHBondContact O-N 3.34Å; M292-L294 VanDerWaalsContact C-N 3.35Å; M292-L294 PolarHBondContact O-N 3.31Å; M292-K295 PolarHBondContact O-N 2.79Å; M292-N296 WeakPolarHBondContact O-CB 3.38Å; M292-N296 VanDerWaalsContact O-CG 3.23Å; M292-N296 PolarHBondContact O-N 3.07Å
293V84.9Confident82.5Confident10 Ų1034.6 Ų34.66%0.06119%0.194CC..Hα-helixtrans-62.2-41.8176.6167.70000111.7Y274 M277 V283 K289 H290 E291 F297Y274-V293 HydrophobicContact CD1-CB 4.5Å; Y274-V293 HydrophobicContact CD1-CG1 4.1Å; Y274-V293 HydrophobicContact CD1-CG2 4.48Å; Y274-V293 WeakPolarHBondContact O-CG1 3.43Å; M277-V293 HydrophobicContact CB-CG1 4.29Å; M277-V293 HydrophobicContact CE-CB 4.27Å; M277-V293 HydrophobicContact CE-CG1 4.15Å; M277-V293 HydrophobicContact CE-CG2 3.2Å; M277-V293 HydrophobicContact CG-CG2 4.47Å; V283-V293 HydrophobicContact CG1-CG2 4.17Å; K289-V293 WeakPolarHBondContact O-CB 3.25Å; K289-V293 VanDerWaalsContact O-CG2 3.24Å; K289-V293 WeakPolarHBondContact O-CG2 3.33Å; K289-V293 PolarHBondContact O-N 2.88Å; H290-V293 PolarHBondContact O-N 2.85Å; E291-V293 VanDerWaalsContact C-N 3.32Å; E291-V293 PolarHBondContact O-N 3.35Å; V293-F297 VanDerWaalsContact O-CB 3.28Å; V293-F297 WeakPolarHBondContact O-CB 3.43Å; V293-F297 PolarHBondContact O-N 2.97Å
294L84.6Confident82.9Confident2 Ų234.3 Ų34.31%0.0119%0.192CC..Hα-helixtrans-69.3-41.5177.9-66.9176.6000112.2H290 E291 M292 F297 I298 V322 F323 L326H290-L294 WeakPolarHBondContact ND1-CG 3.24Å; H290-L294 VanDerWaalsContact O-CG 3.31Å; H290-L294 WeakPolarHBondContact O-CG 3.09Å; H290-L294 PolarHBondContact O-N 2.85Å; E291-L294 PolarHBondContact O-N 3.23Å; M292-L294 VanDerWaalsContact C-N 3.35Å; M292-L294 PolarHBondContact O-N 3.31Å; L294-F297 WeakPolarHBondContact O-CB 3.3Å; L294-F297 PolarHBondContact O-N 2.9Å; L294-I298 WeakPolarHBondContact O-CG1 3.09Å; L294-I298 PolarHBondContact O-N 3.06Å; L294-V322 HydrophobicContact CD1-CG1 3.7Å; L294-F323 HydrophobicContact CB-CD1 4.49Å; L294-F323 HydrophobicContact CB-CE1 4.16Å; L294-F323 HydrophobicContact CD2-CD1 4.33Å; L294-F323 HydrophobicContact CD2-CE1 3.57Å; L294-F323 HydrophobicContact CD2-CZ 3.95Å; L294-F323 HydrophobicContact CG-CE1 4.3Å; L294-L326 HydrophobicContact CB-CD1 3.77Å
295K83.3Confident83.3Confident2 Ų231.8 Ų31.81%0.00919%0.188CC..Hα-helixtrans-59.6-49.1174.4-68.8171-178166.60110.2E291 M292 F297 I298 L299 L326 Y329 T366E291-K295 VanDerWaalsContact O-CG 3.27Å; E291-K295 WeakPolarHBondContact O-CG 3.47Å; E291-K295 PolarHBondContact O-N 3.42Å; E291-K295 IonicContact OE2-NZ 2.63Å; M292-K295 PolarHBondContact O-N 2.79Å; K295-F297 PolarHBondContact O-N 3.26Å; K295-I298 PolarHBondContact O-N 3.13Å; K295-L299 WeakPolarHBondContact O-CG 3.45Å; K295-L299 PolarHBondContact O-N 2.98Å; K295-L326 VanDerWaalsContact CE-CD2 3.46Å; K295-L326 HydrophobicContact CG-CD1 3.78Å; K295-L326 HydrophobicContact CG-CD2 4.23Å; K295-Y329 HydrophobicContact CB-CE1 4.33Å; K295-Y329 HydrophobicContact CD-CE2 3.93Å; K295-Y329 HydrophobicContact CG-CD2 4.17Å; K295-Y329 HydrophobicContact CG-CE1 4.32Å; K295-Y329 HydrophobicContact CG-CE2 3.69Å; K295-T366 HydrophobicContact CB-CG2 3.52Å; K295-T366 HydrophobicContact CD-CG2 4.24Å; K295-T366 HydrophobicContact CG-CG2 4.48Å
296N84Confident83.5Confident18 Ų1831.5 Ų31.510%0.09617%0.168CC..Hα-helixtrans-60.5-44.8177.2-70.1-8.1000111.6Y274 M292 I298 L299 Y300 T366 I368Y274-N296 HydrophobicContact CD1-CB 3.96Å; Y274-N296 HydrophobicContact CD2-CB 4.13Å; Y274-N296 HydrophobicContact CE1-CB 3.64Å; Y274-N296 HydrophobicContact CE2-CB 3.83Å; Y274-N296 HydrophobicContact CG-CB 4.2Å; Y274-N296 PolarHBondContact OH-ND2 3.38Å; M292-N296 WeakPolarHBondContact O-CB 3.38Å; M292-N296 VanDerWaalsContact O-CG 3.23Å; M292-N296 PolarHBondContact O-N 3.07Å; N296-I298 VanDerWaalsContact C-N 3.35Å; N296-I298 PolarHBondContact O-N 3.35Å; N296-L299 PolarHBondContact O-N 3.07Å; N296-Y300 HydrophobicContact CB-CD2 4.35Å; N296-Y300 HydrophobicContact CB-CE2 4.45Å; N296-Y300 WeakPolarHBondContact O-CD2 3.46Å; N296-Y300 PolarHBondContact O-N 3.48Å; N296-T366 VanDerWaalsContact OD1-CB 3.26Å; N296-T366 WeakPolarHBondContact OD1-CB 3.33Å; N296-T366 WeakPolarHBondContact OD1-CG2 3.25Å; N296-I368 HydrophobicContact CB-CD1 4.04Å; N296-I368 WeakPolarHBondContact OD1-CD1 3.48Å
297F85.9Confident83.4Confident0 Ų031.7 Ų31.70%017%0.169CC..Hα-helixtrans-53.2-49.5175.5171.6-114000112.5C271 L275 V293 L294 K295 A301 L313 I317 F323C271-F297 VanDerWaalsContact O-CD2 3.24Å; C271-F297 WeakPolarHBondContact O-CD2 3.35Å; C271-F297 WeakPolarHBondContact SG-CD2 3.11Å; C271-F297 WeakPolarHBondContact SG-CE2 3.44Å; L275-F297 HydrophobicContact CB-CD2 3.94Å; L275-F297 HydrophobicContact CB-CE2 3.6Å; L275-F297 HydrophobicContact CB-CZ 4.26Å; L275-F297 HydrophobicContact CD1-CE1 4.4Å; L275-F297 HydrophobicContact CD1-CE2 4.17Å; L275-F297 HydrophobicContact CD1-CZ 3.97Å; L275-F297 HydrophobicContact CD2-CE2 4.28Å; L275-F297 HydrophobicContact CD2-CZ 4.36Å; L275-F297 HydrophobicContact CG-CE2 4.22Å; L275-F297 HydrophobicContact CG-CZ 4.42Å; V293-F297 VanDerWaalsContact O-CB 3.28Å; V293-F297 WeakPolarHBondContact O-CB 3.43Å; V293-F297 PolarHBondContact O-N 2.97Å; L294-F297 WeakPolarHBondContact O-CB 3.3Å; L294-F297 PolarHBondContact O-N 2.9Å; K295-F297 PolarHBondContact O-N 3.26Å; F297-A301 VanDerWaalsContact O-CB 3.31Å; F297-A301 WeakPolarHBondContact O-CB 3.23Å; F297-A301 PolarHBondContact O-N 2.94Å; F297-L313 HydrophobicContact CZ-CD2 4.34Å; F297-I317 HydrophobicContact CD1-CD1 4.19Å; F297-I317 HydrophobicContact CD1-CG1 4.21Å; F297-I317 HydrophobicContact CE1-CD1 3.61Å; F297-I317 HydrophobicContact CE1-CG1 3.45Å; F297-I317 VanDerWaalsContact CE1-CG1 3.45Å; F297-I317 HydrophobicContact CZ-CD1 4.19Å; F297-I317 HydrophobicContact CZ-CG1 4.23Å; F297-F323 AromaticContact CD1-CE1 3.85Å; F297-F323 HydrophobicContact CD1-CE1 3.85Å; F297-F323 AromaticContact CD1-CZ 3.67Å; F297-F323 HydrophobicContact CD1-CZ 3.67Å; F297-F323 HydrophobicContact CE1-CE1 4.21Å; F297-F323 HydrophobicContact CE1-CE2 4.47Å; F297-F323 AromaticContact CE1-CZ 3.6Å; F297-F323 HydrophobicContact CE1-CZ 3.6Å
298I85.1Confident83.7Confident0 Ų033.3 Ų33.30%018%0.179CC..Hα-helixtrans-62.8-46.2179.6-67.3169.9000110.8L294 K295 N296 A301 L302 I317 F323 Y329 V333L294-I298 WeakPolarHBondContact O-CG1 3.09Å; L294-I298 PolarHBondContact O-N 3.06Å; K295-I298 PolarHBondContact O-N 3.13Å; N296-I298 VanDerWaalsContact C-N 3.35Å; N296-I298 PolarHBondContact O-N 3.35Å; I298-A301 WeakPolarHBondContact O-CB 3.32Å; I298-A301 PolarHBondContact O-N 2.88Å; I298-L302 HydrophobicContact CG2-CD1 4.14Å; I298-L302 WeakPolarHBondContact O-CG 3.44Å; I298-L302 PolarHBondContact O-N 2.63Å; I298-I317 HydrophobicContact CD1-CG2 4.3Å; I298-I317 HydrophobicContact CG1-CD1 4.15Å; I298-I317 HydrophobicContact CG1-CG2 4.21Å; I298-F323 HydrophobicContact CD1-CD1 3.79Å; I298-F323 HydrophobicContact CD1-CE1 4.07Å; I298-F323 HydrophobicContact CG1-CD1 4.3Å; I298-F323 HydrophobicContact CG1-CE1 4.1Å; I298-Y329 HydrophobicContact CD1-CG 4.43Å; I298-Y329 HydrophobicContact CG2-CD1 4.42Å; I298-V333 HydrophobicContact CG2-CG2 3.42Å; I298-V333 VanDerWaalsContact CG2-CG2 3.42Å
299L85.7Confident83.9Confident2 Ų235.2 Ų35.21%0.0118%0.181CC..Hα-helixtrans-65.5-43.4-178-65-177.3000112.1K295 N296 A301 L302 L303 Y329 L356 T366 I368 F369K295-L299 WeakPolarHBondContact O-CG 3.45Å; K295-L299 PolarHBondContact O-N 2.98Å; N296-L299 PolarHBondContact O-N 3.07Å; L299-A301 VanDerWaalsContact C-N 3.34Å; L299-A301 PolarHBondContact O-N 3.4Å; L299-L302 PolarHBondContact O-N 2.84Å; L299-L303 VanDerWaalsContact O-CG 3.29Å; L299-L303 WeakPolarHBondContact O-CG 3.41Å; L299-L303 PolarHBondContact O-N 3.24Å; L299-Y329 HydrophobicContact CD1-CE1 4.3Å; L299-Y329 HydrophobicContact CD2-CD1 4.22Å; L299-Y329 HydrophobicContact CD2-CE1 4.03Å; L299-Y329 HydrophobicContact CG-CE1 4.22Å; L299-L356 HydrophobicContact CD1-CD2 4.29Å; L299-L356 HydrophobicContact CD2-CD2 3.53Å; L299-T366 HydrophobicContact CD1-CG2 4.22Å; L299-T366 WeakPolarHBondContact CD1-OG1 3.35Å; L299-I368 HydrophobicContact CB-CD1 3.91Å; L299-I368 HydrophobicContact CD1-CB 4.46Å; L299-I368 HydrophobicContact CD1-CD1 3.87Å; L299-I368 HydrophobicContact CG-CD1 4.49Å; L299-F369 HydrophobicContact CB-CE2 4.41Å; L299-F369 HydrophobicContact CD1-CD2 4.33Å; L299-F369 HydrophobicContact CD1-CE2 3.91Å; L299-F369 HydrophobicContact CD2-CE2 3.99Å; L299-F369 HydrophobicContact CG-CE2 4.3Å
300Y86.7Confident84.3Confident2 Ų229.8 Ų29.81%0.00816%0.157CC..Hα-helixtrans-68.6-32174.9-76.2-73.2000112.4E262 Y267 I270 Y274 N296 L302 L303 S304 I368 R379E262-Y300 PolarHBondContact OE1-OH 3.49Å; Y267-Y300 AromaticContact CD1-CD1 3.84Å; Y267-Y300 HydrophobicContact CD1-CD1 3.84Å; Y267-Y300 HydrophobicContact CD1-CE1 4.02Å; Y267-Y300 HydrophobicContact CE1-CE1 4.48Å; I270-Y300 HydrophobicContact CB-CD1 4.04Å; I270-Y300 HydrophobicContact CB-CE1 4.39Å; I270-Y300 HydrophobicContact CB-CG 4.19Å; I270-Y300 HydrophobicContact CD1-CD1 3.94Å; I270-Y300 HydrophobicContact CD1-CE1 3.65Å; I270-Y300 HydrophobicContact CG2-CD1 3.63Å; I270-Y300 HydrophobicContact CG2-CD2 3.54Å; I270-Y300 HydrophobicContact CG2-CE1 3.79Å; I270-Y300 HydrophobicContact CG2-CE2 3.75Å; I270-Y300 HydrophobicContact CG2-CG 3.5Å; I270-Y300 VanDerWaalsContact CG2-CG 3.5Å; Y274-Y300 AromaticContact CD2-CD2 3.85Å; Y274-Y300 HydrophobicContact CD2-CD2 3.85Å; Y274-Y300 HydrophobicContact CD2-CE2 4.32Å; Y274-Y300 AromaticContact CE2-CD2 3.49Å; Y274-Y300 HydrophobicContact CE2-CD2 3.49Å; Y274-Y300 VanDerWaalsContact CE2-CD2 3.49Å; Y274-Y300 AromaticContact CE2-CE2 3.49Å; Y274-Y300 HydrophobicContact CE2-CE2 3.49Å; Y274-Y300 VanDerWaalsContact CE2-CE2 3.49Å; N296-Y300 HydrophobicContact CB-CD2 4.35Å; N296-Y300 HydrophobicContact CB-CE2 4.45Å; N296-Y300 WeakPolarHBondContact O-CD2 3.46Å; N296-Y300 PolarHBondContact O-N 3.48Å; Y300-L302 VanDerWaalsContact C-N 3.33Å; Y300-L302 PolarHBondContact O-N 3.48Å; Y300-L303 HydrophobicContact CD1-CD1 4.24Å; Y300-L303 PolarHBondContact O-N 2.89Å; Y300-S304 WeakPolarHBondContact O-CB 3.4Å; Y300-S304 PolarHBondContact O-N 3.42Å; Y300-I368 HydrophobicContact CD2-CD1 3.95Å; Y300-I368 HydrophobicContact CE2-CD1 3.49Å; Y300-I368 VanDerWaalsContact CE2-CD1 3.49Å; Y300-I368 HydrophobicContact CE2-CG1 4.06Å; Y300-R379 PolarHBondContact OH-NH1 3.15Å; Y300-R379 PolarHBondContact OH-NH2 3.22Å
301A88Confident84.4Confident0 Ų032 Ų320%017%0.166CC..Hα-helixtrans-62.6-40.2172.200000111.9C271 F297 I298 L299 S304 Q310 L314 I317C271-A301 VanDerWaalsContact SG-CB 3.59Å; F297-A301 VanDerWaalsContact O-CB 3.31Å; F297-A301 WeakPolarHBondContact O-CB 3.23Å; F297-A301 PolarHBondContact O-N 2.94Å; I298-A301 WeakPolarHBondContact O-CB 3.32Å; I298-A301 PolarHBondContact O-N 2.88Å; L299-A301 VanDerWaalsContact C-N 3.34Å; L299-A301 PolarHBondContact O-N 3.4Å; A301-S304 PolarHBondContact O-OG 3.37Å; A301-Q310 PolarHBondContact O-NE2 3.49Å; A301-L314 HydrophobicContact CB-CD2 4.09Å; A301-I317 HydrophobicContact CB-CD1 4.23Å
302L86.6Confident84.7Confident3 Ų332.9 Ų32.92%0.01618%0.179CC..Hα-helixtrans-74-30.9177.2-69.3175.2000113.2I298 L299 Y300 L314 L332 V333 F336 F383 R386I298-L302 HydrophobicContact CG2-CD1 4.14Å; I298-L302 WeakPolarHBondContact O-CG 3.44Å; I298-L302 PolarHBondContact O-N 2.63Å; L299-L302 PolarHBondContact O-N 2.84Å; Y300-L302 VanDerWaalsContact C-N 3.33Å; Y300-L302 PolarHBondContact O-N 3.48Å; L302-L314 HydrophobicContact CD2-CD1 4.37Å; L302-L314 HydrophobicContact CD2-CD2 3.89Å; L302-L314 HydrophobicContact CG-CD2 4.5Å; L302-L332 HydrophobicContact CD1-CD2 3.66Å; L302-L332 HydrophobicContact CD1-CG 3.85Å; L302-V333 HydrophobicContact CD1-CG2 4.33Å; L302-V333 HydrophobicContact CD2-CG2 4.42Å; L302-V333 HydrophobicContact CG-CG2 4.48Å; L302-F336 HydrophobicContact CD2-CB 3.98Å; L302-F336 HydrophobicContact CD2-CD1 4.27Å; L302-F336 HydrophobicContact CD2-CD2 3.62Å; L302-F336 HydrophobicContact CD2-CE2 4.14Å; L302-F336 HydrophobicContact CD2-CG 3.7Å; L302-F383 HydrophobicContact CB-CD2 4.39Å; L302-F383 HydrophobicContact CB-CE2 3.93Å; L302-F383 HydrophobicContact CD1-CE2 4.26Å; L302-R386 WeakPolarHBondContact O-CG 3.35Å
303L87.1Confident84.9Confident0 Ų030.2 Ų30.20%017%0.166CC..Hα-helixtrans-73.4-27.6174.6-74.1170.1000113Y267 L299 Y300 I368 F369 R379 N382 F383 R386Y267-L303 HydrophobicContact CD1-CB 4.41Å; Y267-L303 HydrophobicContact CD2-CB 4.02Å; Y267-L303 WeakPolarHBondContact CD2-O 3.48Å; Y267-L303 HydrophobicContact CG-CB 3.96Å; L299-L303 VanDerWaalsContact O-CG 3.29Å; L299-L303 WeakPolarHBondContact O-CG 3.41Å; L299-L303 PolarHBondContact O-N 3.24Å; Y300-L303 HydrophobicContact CD1-CD1 4.24Å; Y300-L303 PolarHBondContact O-N 2.89Å; L303-I368 HydrophobicContact CD1-CG2 4.12Å; L303-F369 HydrophobicContact CD1-CE1 4.36Å; L303-F369 HydrophobicContact CD1-CZ 4.21Å; L303-F369 HydrophobicContact CD2-CE1 4.08Å; L303-F369 HydrophobicContact CD2-CZ 4.24Å; L303-F369 HydrophobicContact CG-CZ 4.33Å; L303-R379 HydrophobicContact CD1-CB 4.34Å; L303-R379 HydrophobicContact CD1-CG 4.41Å; L303-R379 HydrophobicContact CD2-CB 4.47Å; L303-R379 WeakPolarHBondContact CD2-O 3.44Å; L303-N382 HydrophobicContact CD2-CB 4.28Å; L303-F383 HydrophobicContact CD2-CB 3.78Å; L303-R386 PolarHBondContact O-NE 2.98Å
304S86.7Confident84.9Confident1 Ų129.9 Ų29.91%0.00716%0.164CC..SBendtrans-65.3139.818070.50000111.8Y300 A301 Q310Y300-S304 WeakPolarHBondContact O-CB 3.4Å; Y300-S304 PolarHBondContact O-N 3.42Å; A301-S304 PolarHBondContact O-OG 3.37Å; S304-Q310 WeakPolarHBondContact OG-CG 3.42Å
305P84.3Confident85Confident59 Ų5932.3 Ų32.338%0.38318%0.177SC..PPolyproline II helixtrans-60.3147.5179.125.7-33.5000110.9N307P305-N307 PolarHBondContact O-N 3.3Å; P305-N307 VanDerWaalsContact O-N 3.14Å
306H79.5Confident85.2Confident60 Ų6035.9 Ų35.928%0.27819%0.191SC..PPolyproline II helixtrans-63.7117.9-179.2174.9-89.2000111.4R393H306-R393 PolarHBondContact CD2-NH1 3.19Å; H306-R393 PolarHBondContact CD2-NH2 3.21Å; H306-R393 PolarHBondContact CE1-NH1 3.36Å; H306-R393 VanDerWaalsContact CG-CZ 3.49Å; H306-R393 PolarHBondContact NE2-NH1 2.89Å
307N80.8Confident85.2Confident59 Ų5935 Ų3532%0.31619%0.186SC..  trans-138.5171.6165.768.317.3000109P305 E309 Q310 F311P305-N307 PolarHBondContact O-N 3.3Å; P305-N307 VanDerWaalsContact O-N 3.14Å; N307-E309 PolarHBondContact O-N 3.03Å; N307-E309 PolarHBondContact OD1-N 3.36Å; N307-Q310 PolarHBondContact O-N 3.48Å; N307-Q310 WeakPolarHBondContact OD1-CA 3.48Å; N307-Q310 WeakPolarHBondContact OD1-CB 3.05Å; N307-Q310 PolarHBondContact OD1-N 2.96Å; N307-F311 PolarHBondContact O-N 3.22Å
308T84.1Confident85Confident126 Ų12636.5 Ų36.577%0.77319%0.194SC*.Hα-helixtrans-59.4-34.5-179.5-53.80000112.3S312T308-S312 WeakPolarHBondContact O-CB 3.35Å; T308-S312 PolarHBondContact O-N 3.44Å
309E83.8Confident85.1Confident116 Ų11641.7 Ų41.754%0.54223%0.226SC..Hα-helixtrans-70-41.7179.3-58.2-172.1171.400112.1F268 N307 S312 L313F268-E309 WeakPolarHBondContact CE1-OE2 3.33Å; F268-E309 HydrophobicContact CE2-CB 3.94Å; F268-E309 HydrophobicContact CZ-CB 3.59Å; F268-E309 HydrophobicContact CZ-CG 4.47Å; F268-E309 WeakPolarHBondContact CZ-OE2 3.44Å; N307-E309 PolarHBondContact O-N 3.03Å; N307-E309 PolarHBondContact OD1-N 3.36Å; E309-S312 CarbonylContact O-C 3.58Å; E309-S312 WeakPolarHBondContact O-CA 3.45Å; E309-S312 VanDerWaalsContact O-CB 3.31Å; E309-S312 WeakPolarHBondContact O-CB 3.16Å; E309-S312 PolarHBondContact O-N 2.68Å; E309-S312 VanDerWaalsContact O-N 3.16Å; E309-L313 WeakPolarHBondContact O-CG 3.26Å; E309-L313 PolarHBondContact O-N 2.85Å
310Q85.8Confident85Confident10 Ų1045 Ų455%0.04724%0.241CC..Hα-helixtrans-62.3-46.7176.7-174.4-81-17.700109.9F268 A301 S304 N307 S312 L313 L314F268-Q310 HydrophobicContact CE2-CB 4.47Å; A301-Q310 PolarHBondContact O-NE2 3.49Å; S304-Q310 WeakPolarHBondContact OG-CG 3.42Å; N307-Q310 PolarHBondContact O-N 3.48Å; N307-Q310 WeakPolarHBondContact OD1-CA 3.48Å; N307-Q310 WeakPolarHBondContact OD1-CB 3.05Å; N307-Q310 PolarHBondContact OD1-N 2.96Å; Q310-S312 VanDerWaalsContact C-N 3.28Å; Q310-S312 PolarHBondContact O-N 3.32Å; Q310-L313 WeakPolarHBondContact O-CB 3.34Å; Q310-L313 PolarHBondContact O-N 3.42Å; Q310-L313 VanDerWaalsContact O-N 3.09Å; Q310-L314 VanDerWaalsContact NE2-CD1 3.26Å; Q310-L314 WeakPolarHBondContact O-CG 3.12Å; Q310-L314 PolarHBondContact O-N 2.81Å
311F83.6Confident84.7Confident67 Ų6752.8 Ų52.829%0.29428%0.275SS..Hα-helixtrans-62.3-38.3174.8-172.8-107.3000111.3N307 L314 N315 V337N307-F311 PolarHBondContact O-N 3.22Å; F311-L314 PolarHBondContact O-N 2.95Å; F311-N315 WeakPolarHBondContact CD1-ND2 3.31Å; F311-N315 WeakPolarHBondContact CE1-ND2 3.49Å; F311-N315 VanDerWaalsContact CZ-ND2 3.35Å; F311-N315 WeakPolarHBondContact CZ-ND2 3.45Å; F311-N315 PolarHBondContact O-N 3.43Å; F311-N315 PolarHBondContact O-ND2 2.8Å; F311-V337 HydrophobicContact CE2-CG1 4.24Å; F311-V337 HydrophobicContact CZ-CG1 4.39Å
312S86.5Confident84.2Confident74 Ų7455.3 Ų55.352%0.51729%0.29SS..Hα-helixtrans-62.8-39.6172.7-170.30000112.4T308 E309 Q310 N315 Y316T308-S312 WeakPolarHBondContact O-CB 3.35Å; T308-S312 PolarHBondContact O-N 3.44Å; E309-S312 CarbonylContact O-C 3.58Å; E309-S312 WeakPolarHBondContact O-CA 3.45Å; E309-S312 VanDerWaalsContact O-CB 3.31Å; E309-S312 WeakPolarHBondContact O-CB 3.16Å; E309-S312 PolarHBondContact O-N 2.68Å; E309-S312 VanDerWaalsContact O-N 3.16Å; Q310-S312 VanDerWaalsContact C-N 3.28Å; Q310-S312 PolarHBondContact O-N 3.32Å; S312-N315 PolarHBondContact O-N 2.8Å; S312-Y316 WeakPolarHBondContact O-CB 3.44Å; S312-Y316 PolarHBondContact O-N 3.21Å
313L85.5Confident83.6Confident24 Ų2455.4 Ų55.413%0.12629%0.291CS..Hα-helixtrans-65.8-40.4175.8-71.1175.1000111.8F268 L275 F297 E309 Q310 Y316 I317F268-L313 HydrophobicContact CD2-CD1 4.28Å; F268-L313 HydrophobicContact CE2-CD1 3.52Å; F268-L313 HydrophobicContact CZ-CD1 4.1Å; L275-L313 HydrophobicContact CD2-CD2 3.99Å; F297-L313 HydrophobicContact CZ-CD2 4.34Å; E309-L313 WeakPolarHBondContact O-CG 3.26Å; E309-L313 PolarHBondContact O-N 2.85Å; Q310-L313 WeakPolarHBondContact O-CB 3.34Å; Q310-L313 PolarHBondContact O-N 3.42Å; Q310-L313 VanDerWaalsContact O-N 3.09Å; L313-Y316 WeakPolarHBondContact O-CB 3.11Å; L313-Y316 PolarHBondContact O-N 2.87Å; L313-I317 VanDerWaalsContact O-CG1 3.31Å; L313-I317 WeakPolarHBondContact O-CG1 3.39Å; L313-I317 PolarHBondContact O-N 3.2Å
314L86.4Confident83.1Confident2 Ų261 Ų611%0.0132%0.317CS..Hα-helixtrans-64.2-42.6175.4-64-173000111.9A301 L302 Q310 F311 Y316 I317 L318 V333 F336 V337A301-L314 HydrophobicContact CB-CD2 4.09Å; L302-L314 HydrophobicContact CD2-CD1 4.37Å; L302-L314 HydrophobicContact CD2-CD2 3.89Å; L302-L314 HydrophobicContact CG-CD2 4.5Å; Q310-L314 VanDerWaalsContact NE2-CD1 3.26Å; Q310-L314 WeakPolarHBondContact O-CG 3.12Å; Q310-L314 PolarHBondContact O-N 2.81Å; F311-L314 PolarHBondContact O-N 2.95Å; L314-Y316 VanDerWaalsContact C-N 3.32Å; L314-Y316 PolarHBondContact O-N 3.22Å; L314-I317 HydrophobicContact CD2-CD1 4.21Å; L314-I317 WeakPolarHBondContact O-CB 3.36Å; L314-I317 PolarHBondContact O-N 3.24Å; L314-L318 PolarHBondContact O-N 3.43Å; L314-L318 VanDerWaalsContact O-N 3.09Å; L314-V333 HydrophobicContact CB-CG1 4.04Å; L314-V333 HydrophobicContact CD2-CG1 3.98Å; L314-V333 HydrophobicContact CD2-CG2 4.46Å; L314-V333 HydrophobicContact CG-CG1 4.48Å; L314-F336 HydrophobicContact CD1-CB 4.11Å; L314-V337 HydrophobicContact CB-CG2 3.58Å; L314-V337 HydrophobicContact CD1-CG2 4.16Å
315N86.5Confident82.6Confident53 Ų5366.4 Ų66.428%0.28334%0.342SS..Hα-helixtrans-65.5-36.7174.5-74.6-66.7000112.2F311 S312 L318 T319 V337F311-N315 WeakPolarHBondContact CD1-ND2 3.31Å; F311-N315 WeakPolarHBondContact CE1-ND2 3.49Å; F311-N315 VanDerWaalsContact CZ-ND2 3.35Å; F311-N315 WeakPolarHBondContact CZ-ND2 3.45Å; F311-N315 PolarHBondContact O-N 3.43Å; F311-N315 PolarHBondContact O-ND2 2.8Å; S312-N315 PolarHBondContact O-N 2.8Å; N315-L318 PolarHBondContact O-N 2.78Å; N315-T319 WeakPolarHBondContact O-CB 3.23Å; N315-T319 PolarHBondContact O-N 3.5Å; N315-T319 PolarHBondContact O-OG1 2.89Å; N315-V337 WeakPolarHBondContact OD1-CG1 3.13Å
316Y85.9Confident82.3Confident77 Ų7764.1 Ų64.130%0.30233%0.327SS..Hα-helixtrans-59.8-46.3172.3174.5-98000111L275 S312 L313 L314 L318 T319 E320 F323L275-Y316 HydrophobicContact CD1-CE1 4.02Å; S312-Y316 WeakPolarHBondContact O-CB 3.44Å; S312-Y316 PolarHBondContact O-N 3.21Å; L313-Y316 WeakPolarHBondContact O-CB 3.11Å; L313-Y316 PolarHBondContact O-N 2.87Å; L314-Y316 VanDerWaalsContact C-N 3.32Å; L314-Y316 PolarHBondContact O-N 3.22Å; Y316-L318 VanDerWaalsContact C-N 3.27Å; Y316-L318 PolarHBondContact O-N 2.76Å; Y316-T319 PolarHBondContact O-N 2.93Å; Y316-T319 VanDerWaalsContact O-N 3.07Å; Y316-E320 HydrophobicContact CE1-CB 4.43Å; Y316-E320 HydrophobicContact CE1-CG 4.44Å; Y316-E320 HydrophobicContact CE2-CB 4.47Å; Y316-E320 HydrophobicContact CE2-CG 4.35Å; Y316-E320 WeakPolarHBondContact O-CB 3.48Å; Y316-E320 PolarHBondContact O-N 3.05Å; Y316-F323 HydrophobicContact CD1-CE2 4.49Å; Y316-F323 HydrophobicContact CE1-CE2 4.24Å
317I83.9Confident82.4Confident0 Ų065.2 Ų65.20%034%0.339CS..Hα-helixtrans-56.8-40.9175.3-68.7158.5000111.7F297 I298 A301 L313 L314 T319 F323 V333F297-I317 HydrophobicContact CD1-CD1 4.19Å; F297-I317 HydrophobicContact CD1-CG1 4.21Å; F297-I317 HydrophobicContact CE1-CD1 3.61Å; F297-I317 HydrophobicContact CE1-CG1 3.45Å; F297-I317 VanDerWaalsContact CE1-CG1 3.45Å; F297-I317 HydrophobicContact CZ-CD1 4.19Å; F297-I317 HydrophobicContact CZ-CG1 4.23Å; I298-I317 HydrophobicContact CD1-CG2 4.3Å; I298-I317 HydrophobicContact CG1-CD1 4.15Å; I298-I317 HydrophobicContact CG1-CG2 4.21Å; A301-I317 HydrophobicContact CB-CD1 4.23Å; L313-I317 VanDerWaalsContact O-CG1 3.31Å; L313-I317 WeakPolarHBondContact O-CG1 3.39Å; L313-I317 PolarHBondContact O-N 3.2Å; L314-I317 HydrophobicContact CD2-CD1 4.21Å; L314-I317 WeakPolarHBondContact O-CB 3.36Å; L314-I317 PolarHBondContact O-N 3.24Å; I317-T319 VanDerWaalsContact C-N 3.32Å; I317-T319 PolarHBondContact O-N 2.82Å; I317-F323 HydrophobicContact CB-CD2 4.25Å; I317-F323 HydrophobicContact CB-CE2 4.24Å; I317-F323 HydrophobicContact CG1-CD2 4.49Å; I317-F323 HydrophobicContact CG1-CE1 4.39Å; I317-F323 HydrophobicContact CG1-CE2 4.02Å; I317-F323 HydrophobicContact CG1-CZ 3.96Å; I317-F323 HydrophobicContact CG2-CB 4.36Å; I317-F323 HydrophobicContact CG2-CD1 4.17Å; I317-F323 HydrophobicContact CG2-CD2 3.99Å; I317-F323 HydrophobicContact CG2-CE1 4.44Å; I317-F323 HydrophobicContact CG2-CE2 4.34Å; I317-F323 HydrophobicContact CG2-CG 3.92Å; I317-F323 VanDerWaalsContact O-CD2 3.29Å; I317-F323 WeakPolarHBondContact O-CD2 3.24Å; I317-V333 HydrophobicContact CB-CG1 4.39Å; I317-V333 HydrophobicContact CG2-CB 4.43Å; I317-V333 HydrophobicContact CG2-CG1 4.22Å; I317-V333 HydrophobicContact CG2-CG2 4.17Å
318L83.5Confident82.4Confident32 Ų3266.3 Ų66.317%0.16834%0.342CS..Hα-helixtrans-74.3-20.6179.1-66.8-179000114.1L314 N315 Y316 R330 V333 Q334 V337L314-L318 PolarHBondContact O-N 3.43Å; L314-L318 VanDerWaalsContact O-N 3.09Å; N315-L318 PolarHBondContact O-N 2.78Å; Y316-L318 VanDerWaalsContact C-N 3.27Å; Y316-L318 PolarHBondContact O-N 2.76Å; L318-R330 HydrophobicContact CD2-CG 3.75Å; L318-R330 PolarHBondContact O-NH2 2.67Å; L318-V333 HydrophobicContact CD1-CG1 4.47Å; L318-V333 HydrophobicContact CD2-CB 4.3Å; L318-V333 HydrophobicContact CD2-CG1 3.98Å; L318-V333 HydrophobicContact CG-CG1 3.95Å; L318-Q334 HydrophobicContact CD2-CB 4.12Å; L318-V337 HydrophobicContact CD1-CB 3.67Å; L318-V337 HydrophobicContact CD1-CG1 3.78Å; L318-V337 HydrophobicContact CD1-CG2 3.63Å; L318-V337 HydrophobicContact CG-CG2 4.48Å
319T85.8Confident82.2Confident109 Ų10960.4 Ų60.467%0.66931%0.306SS*.Hα-helixtrans-92.5-35.2-178.1-53.80000111.7N315 Y316 I317N315-T319 WeakPolarHBondContact O-CB 3.23Å; N315-T319 PolarHBondContact O-N 3.5Å; N315-T319 PolarHBondContact O-OG1 2.89Å; Y316-T319 PolarHBondContact O-N 2.93Å; Y316-T319 VanDerWaalsContact O-N 3.07Å; I317-T319 VanDerWaalsContact C-N 3.32Å; I317-T319 PolarHBondContact O-N 2.82Å
320E83.9Confident82.1Confident71 Ų7158.3 Ų58.333%0.33229%0.293SS..  trans-77.4129.7-171-157.372.7178.300112.2Y316 V322 F323Y316-E320 HydrophobicContact CE1-CB 4.43Å; Y316-E320 HydrophobicContact CE1-CG 4.44Å; Y316-E320 HydrophobicContact CE2-CB 4.47Å; Y316-E320 HydrophobicContact CE2-CG 4.35Å; Y316-E320 WeakPolarHBondContact O-CB 3.48Å; Y316-E320 PolarHBondContact O-N 3.05Å; E320-V322 HydrophobicContact CG-CG2 4.22Å; E320-V322 PolarHBondContact O-N 3.25Å; E320-F323 HydrophobicContact CB-CD2 3.84Å; E320-F323 HydrophobicContact CB-CE2 3.98Å; E320-F323 HydrophobicContact CG-CE2 4.49Å; E320-F323 PolarHBondContact O-N 2.97Å
321K80.1Confident82Confident166 Ų16660.2 Ų60.272%0.72231%0.308SS*.G310 helixtrans-63.9-25.6-176.6-65.3-176.3179.2-178.40114F323 E324K321-F323 PolarHBondContact O-N 2.79Å; K321-E324 VanDerWaalsContact O-CB 3.28Å; K321-E324 WeakPolarHBondContact O-CB 3.42Å; K321-E324 PolarHBondContact O-N 3.36Å
322V77.4Confident82Confident52 Ų5257.1 Ų57.132%0.31529%0.294SS..G310 helixtrans-59.4-31.7-177.9-171.90000111.2L294 E320 E324L294-V322 HydrophobicContact CD1-CG1 3.7Å; E320-V322 HydrophobicContact CG-CG2 4.22Å; E320-V322 PolarHBondContact O-N 3.25Å; V322-E324 VanDerWaalsContact C-N 3.29Å; V322-E324 PolarHBondContact O-N 3.18Å
323F75Confident81.9Confident5 Ų553.6 Ų53.62%0.02227%0.269CS..G310 helixtrans-80.7-3.5179.5-59.3-73.9000114.2L294 F297 I298 Y316 I317 E320 K321 Q325 L326L294-F323 HydrophobicContact CB-CD1 4.49Å; L294-F323 HydrophobicContact CB-CE1 4.16Å; L294-F323 HydrophobicContact CD2-CD1 4.33Å; L294-F323 HydrophobicContact CD2-CE1 3.57Å; L294-F323 HydrophobicContact CD2-CZ 3.95Å; L294-F323 HydrophobicContact CG-CE1 4.3Å; F297-F323 AromaticContact CD1-CE1 3.85Å; F297-F323 HydrophobicContact CD1-CE1 3.85Å; F297-F323 AromaticContact CD1-CZ 3.67Å; F297-F323 HydrophobicContact CD1-CZ 3.67Å; F297-F323 HydrophobicContact CE1-CE1 4.21Å; F297-F323 HydrophobicContact CE1-CE2 4.47Å; F297-F323 AromaticContact CE1-CZ 3.6Å; F297-F323 HydrophobicContact CE1-CZ 3.6Å; I298-F323 HydrophobicContact CD1-CD1 3.79Å; I298-F323 HydrophobicContact CD1-CE1 4.07Å; I298-F323 HydrophobicContact CG1-CD1 4.3Å; I298-F323 HydrophobicContact CG1-CE1 4.1Å; Y316-F323 HydrophobicContact CD1-CE2 4.49Å; Y316-F323 HydrophobicContact CE1-CE2 4.24Å; I317-F323 HydrophobicContact CB-CD2 4.25Å; I317-F323 HydrophobicContact CB-CE2 4.24Å; I317-F323 HydrophobicContact CG1-CD2 4.49Å; I317-F323 HydrophobicContact CG1-CE1 4.39Å; I317-F323 HydrophobicContact CG1-CE2 4.02Å; I317-F323 HydrophobicContact CG1-CZ 3.96Å; I317-F323 HydrophobicContact CG2-CB 4.36Å; I317-F323 HydrophobicContact CG2-CD1 4.17Å; I317-F323 HydrophobicContact CG2-CD2 3.99Å; I317-F323 HydrophobicContact CG2-CE1 4.44Å; I317-F323 HydrophobicContact CG2-CE2 4.34Å; I317-F323 HydrophobicContact CG2-CG 3.92Å; I317-F323 VanDerWaalsContact O-CD2 3.29Å; I317-F323 WeakPolarHBondContact O-CD2 3.24Å; E320-F323 HydrophobicContact CB-CD2 3.84Å; E320-F323 HydrophobicContact CB-CE2 3.98Å; E320-F323 HydrophobicContact CG-CE2 4.49Å; E320-F323 PolarHBondContact O-N 2.97Å; K321-F323 PolarHBondContact O-N 2.79Å; F323-Q325 PolarHBondContact O-N 3.34Å; F323-L326 CarbonylContact O-C 3.53Å; F323-L326 PolarHBondContact O-N 3.06Å
324E75.9Confident82Confident117 Ų11756.1 Ų56.155%0.54728%0.281SS..G310 helixtrans-63.3-22.7170.9-73.9176.1-179.300112.4K321 V322 L326 R330K321-E324 VanDerWaalsContact O-CB 3.28Å; K321-E324 WeakPolarHBondContact O-CB 3.42Å; K321-E324 PolarHBondContact O-N 3.36Å; V322-E324 VanDerWaalsContact C-N 3.29Å; V322-E324 PolarHBondContact O-N 3.18Å; E324-L326 PolarHBondContact O-N 3Å; E324-R330 IonicContact OE1-NH1 3.64Å; E324-R330 PolarHBondContact OE1-NH1 3.2Å
325Q76.3Confident81.9Confident115 Ų11557.4 Ų57.454%0.53729%0.287SS..G310 helixtrans-67.2-18.8173.2-60.4176.8-0.100112.6F323 P327F323-Q325 PolarHBondContact O-N 3.34Å; Q325-P327 VanDerWaalsContact C-CD 3.48Å; Q325-P327 WeakPolarHBondContact O-CD 3.4Å
326L79.2Confident81.8Confident12 Ų1255.3 Ų55.36%0.06328%0.276CS..  trans-123.668-176.5-62.3176.3000111L294 K295 F323 E324 E328 Y329 R330L294-L326 HydrophobicContact CB-CD1 3.77Å; K295-L326 VanDerWaalsContact CE-CD2 3.46Å; K295-L326 HydrophobicContact CG-CD1 3.78Å; K295-L326 HydrophobicContact CG-CD2 4.23Å; F323-L326 CarbonylContact O-C 3.53Å; F323-L326 PolarHBondContact O-N 3.06Å; E324-L326 PolarHBondContact O-N 3Å; L326-E328 VanDerWaalsContact C-N 3.32Å; L326-E328 PolarHBondContact O-N 3.48Å; L326-Y329 HydrophobicContact CB-CD2 4.15Å; L326-Y329 HydrophobicContact CD2-CD2 4.41Å; L326-Y329 PolarHBondContact O-N 2.96Å; L326-R330 PolarHBondContact O-N 2.96Å
327P80.4Confident81.7Confident82 Ų8252.8 Ų52.853%0.53227%0.268SS..Hα-helixtrans-62.9-34.4-172.725.2-34.6000113.6Q325 R330 S331Q325-P327 VanDerWaalsContact C-CD 3.48Å; Q325-P327 WeakPolarHBondContact O-CD 3.4Å; P327-R330 PolarHBondContact O-N 3.44Å; P327-S331 WeakPolarHBondContact O-CB 3.45Å; P327-S331 PolarHBondContact O-N 2.65Å; P327-S331 PolarHBondContact O-OG 3.18Å
328E80.5Confident81.8Confident82 Ų8257.9 Ų57.938%0.38329%0.287SS..Hα-helixtrans-65.2-48.1178.8-63.3173.2179.800111.1L326 R330 S331 L332 Y352 L355L326-E328 VanDerWaalsContact C-N 3.32Å; L326-E328 PolarHBondContact O-N 3.48Å; E328-R330 VanDerWaalsContact C-N 3.34Å; E328-R330 PolarHBondContact O-N 3.09Å; E328-S331 WeakPolarHBondContact O-CB 3.49Å; E328-S331 PolarHBondContact O-N 2.87Å; E328-L332 PolarHBondContact O-N 2.85Å; E328-Y352 WeakPolarHBondContact O-CE1 3.44Å; E328-L355 HydrophobicContact CB-CD2 3.81Å; E328-L355 WeakPolarHBondContact OE2-CD1 3.5Å; E328-L355 VanDerWaalsContact OE2-CD2 3.26Å; E328-L355 WeakPolarHBondContact OE2-CD2 3.34Å
329Y80.7Confident81.6Confident3 Ų360.4 Ų60.41%0.01230%0.298CS..Hα-helixtrans-67.9-34.2177.2-67.9-89.1000112.3K295 I298 L299 L326 S331 L332 V333 L355 L356K295-Y329 HydrophobicContact CB-CE1 4.33Å; K295-Y329 HydrophobicContact CD-CE2 3.93Å; K295-Y329 HydrophobicContact CG-CD2 4.17Å; K295-Y329 HydrophobicContact CG-CE1 4.32Å; K295-Y329 HydrophobicContact CG-CE2 3.69Å; I298-Y329 HydrophobicContact CD1-CG 4.43Å; I298-Y329 HydrophobicContact CG2-CD1 4.42Å; L299-Y329 HydrophobicContact CD1-CE1 4.3Å; L299-Y329 HydrophobicContact CD2-CD1 4.22Å; L299-Y329 HydrophobicContact CD2-CE1 4.03Å; L299-Y329 HydrophobicContact CG-CE1 4.22Å; L326-Y329 HydrophobicContact CB-CD2 4.15Å; L326-Y329 HydrophobicContact CD2-CD2 4.41Å; L326-Y329 PolarHBondContact O-N 2.96Å; Y329-S331 VanDerWaalsContact C-N 3.34Å; Y329-L332 WeakPolarHBondContact O-CB 3.19Å; Y329-L332 PolarHBondContact O-N 3.03Å; Y329-V333 WeakPolarHBondContact O-CG2 3.38Å; Y329-V333 PolarHBondContact O-N 2.94Å; Y329-L355 HydrophobicContact CE2-CD2 4.48Å; Y329-L356 HydrophobicContact CE1-CD2 4.17Å
330R80.8Confident81.5Confident71 Ų7160.5 Ų60.527%0.26829%0.291SS..Hα-helixtrans-64.7-40.7173.7-170.1179.7179.91730.8111.4L318 E324 L326 P327 E328 L332 V333 Q334L318-R330 HydrophobicContact CD2-CG 3.75Å; L318-R330 PolarHBondContact O-NH2 2.67Å; E324-R330 IonicContact OE1-NH1 3.64Å; E324-R330 PolarHBondContact OE1-NH1 3.2Å; L326-R330 PolarHBondContact O-N 2.96Å; P327-R330 PolarHBondContact O-N 3.44Å; E328-R330 VanDerWaalsContact C-N 3.34Å; E328-R330 PolarHBondContact O-N 3.09Å; R330-L332 VanDerWaalsContact C-N 3.34Å; R330-V333 PolarHBondContact O-N 2.76Å; R330-Q334 WeakPolarHBondContact O-CB 3.2Å; R330-Q334 PolarHBondContact O-N 3.44Å
331S83.5Confident81.3Confident51 Ų5159.8 Ų59.836%0.35729%0.289SS..Hα-helixtrans-63.4-42.2175.8-57.90000111.1P327 E328 Y329 Q334 L335 Y352P327-S331 WeakPolarHBondContact O-CB 3.45Å; P327-S331 PolarHBondContact O-N 2.65Å; P327-S331 PolarHBondContact O-OG 3.18Å; E328-S331 WeakPolarHBondContact O-CB 3.49Å; E328-S331 PolarHBondContact O-N 2.87Å; Y329-S331 VanDerWaalsContact C-N 3.34Å; S331-Q334 WeakPolarHBondContact O-CB 3.4Å; S331-Q334 PolarHBondContact O-N 2.9Å; S331-L335 PolarHBondContact O-N 3.42Å; S331-Y352 WeakPolarHBondContact CB-OH 3.46Å
332L84Confident81.3Confident1 Ų152.2 Ų52.21%0.00526%0.256CS..Hα-helixtrans-59.1-47.6173.1-177.265.7000111.8L302 E328 Y329 R330 Q334 L335 F336 Y352 L356 F383L302-L332 HydrophobicContact CD1-CD2 3.66Å; L302-L332 HydrophobicContact CD1-CG 3.85Å; E328-L332 PolarHBondContact O-N 2.85Å; Y329-L332 WeakPolarHBondContact O-CB 3.19Å; Y329-L332 PolarHBondContact O-N 3.03Å; R330-L332 VanDerWaalsContact C-N 3.34Å; L332-Q334 VanDerWaalsContact C-N 3.27Å; L332-Q334 PolarHBondContact O-N 3.32Å; L332-L335 WeakPolarHBondContact O-CB 3.49Å; L332-L335 PolarHBondContact O-N 3.46Å; L332-F336 HydrophobicContact CD1-CE2 4.27Å; L332-F336 WeakPolarHBondContact O-CD2 3.5Å; L332-Y352 HydrophobicContact CB-CD1 4.4Å; L332-Y352 HydrophobicContact CB-CE1 3.98Å; L332-Y352 HydrophobicContact CB-CE2 4.5Å; L332-Y352 HydrophobicContact CD1-CD1 4.42Å; L332-Y352 HydrophobicContact CD1-CD2 3.74Å; L332-Y352 HydrophobicContact CD1-CE2 3.9Å; L332-Y352 HydrophobicContact CD1-CG 4.04Å; L332-Y352 PolarHBondContact N-OH 2.94Å; L332-L356 HydrophobicContact CD2-CD1 4.37Å; L332-L356 HydrophobicContact CD2-CD2 4.39Å; L332-F383 HydrophobicContact CD1-CZ 4.36Å; L332-F383 HydrophobicContact CD2-CZ 4.49Å
333V85Confident81.3Confident0 Ų052 Ų520%025%0.253CS..Hα-helixtrans-62.7-36.8176.3171.30000111.6I298 L302 L314 I317 L318 Y329 R330 L335 F336 V337I298-V333 HydrophobicContact CG2-CG2 3.42Å; I298-V333 VanDerWaalsContact CG2-CG2 3.42Å; L302-V333 HydrophobicContact CD1-CG2 4.33Å; L302-V333 HydrophobicContact CD2-CG2 4.42Å; L302-V333 HydrophobicContact CG-CG2 4.48Å; L314-V333 HydrophobicContact CB-CG1 4.04Å; L314-V333 HydrophobicContact CD2-CG1 3.98Å; L314-V333 HydrophobicContact CD2-CG2 4.46Å; L314-V333 HydrophobicContact CG-CG1 4.48Å; I317-V333 HydrophobicContact CB-CG1 4.39Å; I317-V333 HydrophobicContact CG2-CB 4.43Å; I317-V333 HydrophobicContact CG2-CG1 4.22Å; I317-V333 HydrophobicContact CG2-CG2 4.17Å; L318-V333 HydrophobicContact CD1-CG1 4.47Å; L318-V333 HydrophobicContact CD2-CB 4.3Å; L318-V333 HydrophobicContact CD2-CG1 3.98Å; L318-V333 HydrophobicContact CG-CG1 3.95Å; Y329-V333 WeakPolarHBondContact O-CG2 3.38Å; Y329-V333 PolarHBondContact O-N 2.94Å; R330-V333 PolarHBondContact O-N 2.76Å; V333-L335 VanDerWaalsContact C-N 3.25Å; V333-L335 PolarHBondContact O-N 3.46Å; V333-F336 PolarHBondContact O-N 3Å; V333-F336 VanDerWaalsContact O-N 3.1Å; V333-V337 HydrophobicContact CG1-CG2 4.17Å; V333-V337 WeakPolarHBondContact O-CG2 3.43Å; V333-V337 PolarHBondContact O-N 3.05Å; V333-V337 VanDerWaalsContact O-N 3.09Å
334Q86.7Confident81.4Confident78 Ų7853.2 Ų53.236%0.36426%0.258SS..Hα-helixtrans-61-36.3179.2-163.9-179.313.500111.8L318 R330 S331 L332 F336 V337 R338L318-Q334 HydrophobicContact CD2-CB 4.12Å; R330-Q334 WeakPolarHBondContact O-CB 3.2Å; R330-Q334 PolarHBondContact O-N 3.44Å; S331-Q334 WeakPolarHBondContact O-CB 3.4Å; S331-Q334 PolarHBondContact O-N 2.9Å; L332-Q334 VanDerWaalsContact C-N 3.27Å; L332-Q334 PolarHBondContact O-N 3.32Å; Q334-F336 VanDerWaalsContact C-N 3.33Å; Q334-F336 PolarHBondContact O-N 3.1Å; Q334-V337 PolarHBondContact O-N 2.93Å; Q334-R338 HydrophobicContact CG-CG 4.25Å; Q334-R338 VanDerWaalsContact NE2-NH2 3.1Å; Q334-R338 WeakPolarHBondContact O-CB 3.49Å; Q334-R338 VanDerWaalsContact O-CG 3.22Å; Q334-R338 WeakPolarHBondContact O-CG 3.38Å; Q334-R338 PolarHBondContact O-N 3.49Å
335L84Confident81.4Confident28 Ų2852.5 Ų52.515%0.14726%0.255CS..Hα-helixtrans-58.2-44.5173.8-66.7173.7000111.6S331 L332 V333 V337 L342 Y352S331-L335 PolarHBondContact O-N 3.42Å; L332-L335 WeakPolarHBondContact O-CB 3.49Å; L332-L335 PolarHBondContact O-N 3.46Å; V333-L335 VanDerWaalsContact C-N 3.25Å; V333-L335 PolarHBondContact O-N 3.46Å; L335-V337 PolarHBondContact O-N 3.34Å; L335-L342 HydrophobicContact CB-CD2 3.71Å; L335-L342 HydrophobicContact CD2-CD2 4.43Å; L335-Y352 HydrophobicContact CD1-CE2 3.9Å
336F84.9Confident81.2Confident10 Ų1051.2 Ų51.24%0.04425%0.251CS..Hα-helixtrans-75.7-19-180-75.1-95.3000114.8L302 L314 L332 V333 Q334 L342 I348 F383 A387 H390L302-F336 HydrophobicContact CD2-CB 3.98Å; L302-F336 HydrophobicContact CD2-CD1 4.27Å; L302-F336 HydrophobicContact CD2-CD2 3.62Å; L302-F336 HydrophobicContact CD2-CE2 4.14Å; L302-F336 HydrophobicContact CD2-CG 3.7Å; L314-F336 HydrophobicContact CD1-CB 4.11Å; L332-F336 HydrophobicContact CD1-CE2 4.27Å; L332-F336 WeakPolarHBondContact O-CD2 3.5Å; V333-F336 PolarHBondContact O-N 3Å; V333-F336 VanDerWaalsContact O-N 3.1Å; Q334-F336 VanDerWaalsContact C-N 3.33Å; Q334-F336 PolarHBondContact O-N 3.1Å; F336-L342 HydrophobicContact CD1-CD1 3.94Å; F336-L342 HydrophobicContact CD2-CD1 4.32Å; F336-L342 HydrophobicContact CE1-CD1 3.97Å; F336-L342 HydrophobicContact CE2-CD1 4.33Å; F336-L342 HydrophobicContact CG-CD1 4.13Å; F336-L342 HydrophobicContact CZ-CD1 4.16Å; F336-I348 HydrophobicContact CE2-CD1 4.19Å; F336-I348 HydrophobicContact CZ-CD1 3.97Å; F336-F383 HydrophobicContact CE1-CE2 4.36Å; F336-F383 AromaticContact CE2-CE2 3.85Å; F336-F383 HydrophobicContact CE2-CE2 3.85Å; F336-F383 AromaticContact CE2-CZ 3.84Å; F336-F383 HydrophobicContact CE2-CZ 3.84Å; F336-F383 HydrophobicContact CZ-CD2 4.43Å; F336-F383 AromaticContact CZ-CE2 3.47Å; F336-F383 HydrophobicContact CZ-CE2 3.47Å; F336-F383 VanDerWaalsContact CZ-CE2 3.47Å; F336-F383 AromaticContact CZ-CZ 3.75Å; F336-F383 HydrophobicContact CZ-CZ 3.75Å; F336-A387 HydrophobicContact CE1-CB 4.22Å; F336-A387 HydrophobicContact CZ-CB 4.12Å; F336-H390 HydrophobicContact CD1-CB 4.21Å; F336-H390 PolarHBondContact O-CE1 2.73Å; F336-H390 PolarHBondContact O-ND1 2.94Å
337V85.3Confident80.9Confident23 Ų2353.7 Ų53.714%0.13926%0.263CS..Hα-helixtrans-90.1-34.1175.11760000111.4F311 L314 N315 L318 V333 Q334 L335 Q339F311-V337 HydrophobicContact CE2-CG1 4.24Å; F311-V337 HydrophobicContact CZ-CG1 4.39Å; L314-V337 HydrophobicContact CB-CG2 3.58Å; L314-V337 HydrophobicContact CD1-CG2 4.16Å; N315-V337 WeakPolarHBondContact OD1-CG1 3.13Å; L318-V337 HydrophobicContact CD1-CB 3.67Å; L318-V337 HydrophobicContact CD1-CG1 3.78Å; L318-V337 HydrophobicContact CD1-CG2 3.63Å; L318-V337 HydrophobicContact CG-CG2 4.48Å; V333-V337 HydrophobicContact CG1-CG2 4.17Å; V333-V337 WeakPolarHBondContact O-CG2 3.43Å; V333-V337 PolarHBondContact O-N 3.05Å; V333-V337 VanDerWaalsContact O-N 3.09Å; Q334-V337 PolarHBondContact O-N 2.93Å; L335-V337 PolarHBondContact O-N 3.34Å; V337-Q339 PolarHBondContact O-N 2.96Å
338R84Confident80.6Confident107 Ų10749.8 Ų49.840%0.40424%0.237SC..SBendtrans-58.1137.9171.8-79.1178.1-169.7-17210.2108.7Q334 E340 H390Q334-R338 HydrophobicContact CG-CG 4.25Å; Q334-R338 VanDerWaalsContact NE2-NH2 3.1Å; Q334-R338 WeakPolarHBondContact O-CB 3.49Å; Q334-R338 VanDerWaalsContact O-CG 3.22Å; Q334-R338 WeakPolarHBondContact O-CG 3.38Å; Q334-R338 PolarHBondContact O-N 3.49Å; R338-E340 HydrophobicContact CB-CG 4.42Å; R338-E340 PolarHBondContact O-N 3.27Å; R338-H390 PolarHBondContact O-CE1 3.04Å; R338-H390 PolarHBondContact O-NE2 3.41Å
339Q80.9Confident80.3Confident86 Ų8647.6 Ų47.640%0.40223%0.229SC..SBendtrans-87.958-179.4-73.9-17916.600108.7V337 M394 K397 Y398V337-Q339 PolarHBondContact O-N 2.96Å; Q339-M394 VanDerWaalsContact C-CE 3.46Å; Q339-M394 HydrophobicContact CB-CE 3.31Å; Q339-M394 HydrophobicContact CB-SD 4.29Å; Q339-M394 HydrophobicContact CG-CE 3.78Å; Q339-M394 HydrophobicContact CG-SD 4.36Å; Q339-K397 VanDerWaalsContact CD-NZ 3.26Å; Q339-Y398 HydrophobicContact CB-CE2 4.47Å; Q339-Y398 WeakPolarHBondContact CB-OH 3.01Å; Q339-Y398 WeakPolarHBondContact O-CE2 3.41Å; Q339-Y398 PolarHBondContact O-OH 2.99Å
340E83.8Confident79.8Confident110 Ų11054.5 Ų54.551%0.51426%0.262SS..SBendtrans-128.2159.5-174.7-67.6176.516600109.6R338 L342 H390 M394R338-E340 HydrophobicContact CB-CG 4.42Å; R338-E340 PolarHBondContact O-N 3.27Å; E340-L342 PolarHBondContact O-N 2.91Å; E340-H390 PolarHBondContact O-NE2 3.34Å; E340-H390 VanDerWaalsContact O-NE2 3.12Å; E340-M394 WeakPolarHBondContact O-CG 3.49Å
341L80Confident79.6Confident56 Ų5654.4 Ų54.429%0.29327%0.27SS..  trans-75.7125.3177.4-67170000108.6M394 I395 L410L341-M394 HydrophobicContact CD2-CB 4.04Å; L341-I395 HydrophobicContact CD2-CD1 4.25Å; L341-I395 HydrophobicContact CD2-CG1 3.49Å; L341-I395 VanDerWaalsContact CD2-CG1 3.49Å; L341-L410 HydrophobicContact CD1-CD1 4.12Å; L341-L410 HydrophobicContact CD1-CD2 4.09Å
342L79.3Confident79.1Confident7 Ų753.4 Ų53.44%0.03726%0.259CS..  trans-88.1114.4175.8-61.2176.2000109.3L335 F336 E340 W344 E347 H390 S391L335-L342 HydrophobicContact CB-CD2 3.71Å; L335-L342 HydrophobicContact CD2-CD2 4.43Å; F336-L342 HydrophobicContact CD1-CD1 3.94Å; F336-L342 HydrophobicContact CD2-CD1 4.32Å; F336-L342 HydrophobicContact CE1-CD1 3.97Å; F336-L342 HydrophobicContact CE2-CD1 4.33Å; F336-L342 HydrophobicContact CG-CD1 4.13Å; F336-L342 HydrophobicContact CZ-CD1 4.16Å; E340-L342 PolarHBondContact O-N 2.91Å; L342-W344 PolarHBondContact O-N 2.87Å; L342-E347 WeakPolarHBondContact CA-OE2 3.45Å; L342-E347 WeakPolarHBondContact CD2-OE2 3.43Å; L342-H390 HydrophobicContact CD1-CB 4.16Å; L342-H390 WeakPolarHBondContact CD1-CD2 3.39Å; L342-S391 PolarHBondContact N-OG 2.84Å; L342-S391 PolarHBondContact O-OG 3.38Å
343N77.9Confident78.5Confident47 Ų4756.2 Ų56.225%0.25127%0.272SS..  trans-83.8111.6169.1-166.8-41.8000108.9Q345 E347 D412N343-Q345 VanDerWaalsContact C-N 3.31Å; N343-Q345 PolarHBondContact O-N 2.79Å; N343-Q345 PolarHBondContact OD1-N 3Å; N343-E347 HydrophobicContact CB-CG 4.39Å; N343-E347 VanDerWaalsContact O-CB 3.31Å; N343-E347 WeakPolarHBondContact O-CB 3.22Å; N343-E347 PolarHBondContact O-N 3.33Å; N343-D412 PolarHBondContact OD1-OD2 3.26Å
344W76.7Confident77.5Confident32 Ų3260 Ų6012%0.12129%0.292CS..Iπ-helixtrans-56.6-43.6-171.8174.9-102.8000112.6L342 I348 V349 W380 F383 K384 A387L342-W344 PolarHBondContact O-N 2.87Å; W344-I348 HydrophobicContact CE3-CB 4.08Å; W344-I348 HydrophobicContact CE3-CD1 3.61Å; W344-I348 HydrophobicContact CE3-CG1 4.41Å; W344-I348 HydrophobicContact CE3-CG2 4.07Å; W344-I348 HydrophobicContact CH2-CG2 4.03Å; W344-I348 HydrophobicContact CZ3-CB 4.22Å; W344-I348 HydrophobicContact CZ3-CD1 3.78Å; W344-I348 HydrophobicContact CZ3-CG2 3.69Å; W344-I348 WeakPolarHBondContact O-CB 3.46Å; W344-I348 PolarHBondContact O-N 3.19Å; W344-V349 HydrophobicContact CD2-CG2 4.34Å; W344-V349 HydrophobicContact CG-CG2 4.39Å; W344-V349 HydrophobicContact CZ2-CG2 4.19Å; W344-V349 VanDerWaalsContact NE1-CG2 3.35Å; W344-V349 WeakPolarHBondContact O-CG2 3.32Å; W344-V349 PolarHBondContact O-N 3.31Å; W344-W380 HydrophobicContact CH2-CZ2 4.25Å; W344-W380 AromaticContact CZ2-CE2 3.88Å; W344-W380 AromaticContact CZ2-CZ2 3.84Å; W344-W380 HydrophobicContact CZ2-CZ2 3.84Å; W344-W380 AromaticContact CZ2-NE1 3.85Å; W344-F383 AromaticContact CH2-CD1 3.58Å; W344-F383 HydrophobicContact CH2-CD1 3.58Å; W344-F383 HydrophobicContact CH2-CE1 4.05Å; W344-F383 HydrophobicContact CH2-CG 4.3Å; W344-F383 AromaticContact CZ3-CD1 3.85Å; W344-F383 HydrophobicContact CZ3-CD1 3.85Å; W344-F383 HydrophobicContact CZ3-CE1 4.01Å; W344-F383 HydrophobicContact CZ3-CG 4.43Å; W344-K384 HydrophobicContact CD2-CB 4.37Å; W344-K384 HydrophobicContact CD2-CG 3.98Å; W344-K384 HydrophobicContact CE3-CB 4.42Å; W344-K384 HydrophobicContact CE3-CG 4.36Å; W344-K384 HydrophobicContact CG-CG 4.44Å; W344-K384 HydrophobicContact CH2-CB 3.76Å; W344-K384 HydrophobicContact CH2-CG 4.41Å; W344-K384 HydrophobicContact CZ2-CB 3.69Å; W344-K384 HydrophobicContact CZ2-CG 4.03Å; W344-K384 VanDerWaalsContact CZ3-CA 3.49Å; W344-K384 HydrophobicContact CZ3-CB 4.15Å; W344-A387 HydrophobicContact CE3-CB 3.5Å; W344-A387 VanDerWaalsContact CE3-CB 3.5Å; W344-A387 HydrophobicContact CZ3-CB 3.72Å
345Q75.1Confident76.6Confident102 Ų10256.8 Ų56.848%0.47728%0.277SS..Iπ-helixtrans-71.4-52-174.9-66.51682.600111.1N343 V349 E350N343-Q345 VanDerWaalsContact C-N 3.31Å; N343-Q345 PolarHBondContact O-N 2.79Å; N343-Q345 PolarHBondContact OD1-N 3Å; Q345-V349 WeakPolarHBondContact O-CB 3.48Å; Q345-V349 PolarHBondContact O-N 2.98Å; Q345-E350 PolarHBondContact O-N 3.41Å; Q345-E350 VanDerWaalsContact O-N 3.09Å
346N73.1Confident75.9Confident87 Ų8755.5 Ų55.547%0.46527%0.271SS..Iπ-helixtrans-81-35-171.2-59.2-18.3000113P351N346-P351 WeakPolarHBondContact O-CD 3.27Å
347E72.7Confident74.8Confident65 Ų6558.4 Ų58.430%0.30428%0.282SS..Iπ-helixtrans-96.7-23.7-172.6-60.7-173.2177.700113.8L342 N343 P351 Y352L342-E347 WeakPolarHBondContact CA-OE2 3.45Å; L342-E347 WeakPolarHBondContact CD2-OE2 3.43Å; N343-E347 HydrophobicContact CB-CG 4.39Å; N343-E347 VanDerWaalsContact O-CB 3.31Å; N343-E347 WeakPolarHBondContact O-CB 3.22Å; N343-E347 PolarHBondContact O-N 3.33Å; E347-P351 WeakPolarHBondContact O-CG 3.48Å; E347-Y352 WeakPolarHBondContact O-CE2 3.35Å
348I74.7Confident73.3Confident0 Ų065.5 Ų65.50%031%0.306CS..Iπ-helixtrans-113.4-54.4-177-62.1173.2000111.1F336 W344 Y352 F383 A387F336-I348 HydrophobicContact CE2-CD1 4.19Å; F336-I348 HydrophobicContact CZ-CD1 3.97Å; W344-I348 HydrophobicContact CE3-CB 4.08Å; W344-I348 HydrophobicContact CE3-CD1 3.61Å; W344-I348 HydrophobicContact CE3-CG1 4.41Å; W344-I348 HydrophobicContact CE3-CG2 4.07Å; W344-I348 HydrophobicContact CH2-CG2 4.03Å; W344-I348 HydrophobicContact CZ3-CB 4.22Å; W344-I348 HydrophobicContact CZ3-CD1 3.78Å; W344-I348 HydrophobicContact CZ3-CG2 3.69Å; W344-I348 WeakPolarHBondContact O-CB 3.46Å; W344-I348 PolarHBondContact O-N 3.19Å; I348-Y352 WeakPolarHBondContact O-CA 3.41Å; I348-Y352 VanDerWaalsContact O-CB 3.32Å; I348-Y352 WeakPolarHBondContact O-CB 3.27Å; I348-Y352 PolarHBondContact O-N 3.42Å; I348-F383 HydrophobicContact CG2-CE1 3.63Å; I348-F383 HydrophobicContact CG2-CZ 4.26Å; I348-A387 HydrophobicContact CD1-CB 3.74Å
349V72.8Confident72Confident35 Ų3561.3 Ų61.321%0.21230%0.296CS..Iπ-helixtrans-67.2-54.2-173.51760000111.3W344 Q345 E353W344-V349 HydrophobicContact CD2-CG2 4.34Å; W344-V349 HydrophobicContact CG-CG2 4.39Å; W344-V349 HydrophobicContact CZ2-CG2 4.19Å; W344-V349 VanDerWaalsContact NE1-CG2 3.35Å; W344-V349 WeakPolarHBondContact O-CG2 3.32Å; W344-V349 PolarHBondContact O-N 3.31Å; Q345-V349 WeakPolarHBondContact O-CB 3.48Å; Q345-V349 PolarHBondContact O-N 2.98Å; V349-E353 HydrophobicContact CG1-CB 4.21Å; V349-E353 VanDerWaalsContact CG1-OE2 3.22Å; V349-E353 WeakPolarHBondContact CG1-OE2 3.09Å; V349-E353 WeakPolarHBondContact O-CB 3.3Å; V349-E353 PolarHBondContact O-N 3.08Å
350E71.5Confident70.5Confident149 Ų14959.3 Ų59.370%0.69629%0.29SS*.Hα-helixtrans-57.2-51-178.4-75.7-172.6163.900114.3Q345Q345-E350 PolarHBondContact O-N 3.41Å; Q345-E350 VanDerWaalsContact O-N 3.09Å
351P74.9Confident68.7Low69 Ų6961 Ų6145%0.44831%0.311SS..Hα-helixtrans-83-29.8-177.926.8-32.7000114.8N346 E347N346-P351 WeakPolarHBondContact O-CD 3.27Å; E347-P351 WeakPolarHBondContact O-CG 3.48Å
352Y74.2Confident67.2Low30 Ų3062.4 Ų62.412%0.11833%0.33CS..Hα-helixtrans-118.6-11-167.5-57.2-78.7000115.4E328 S331 L332 L335 E347 I348 D354 L355 L356E328-Y352 WeakPolarHBondContact O-CE1 3.44Å; S331-Y352 WeakPolarHBondContact CB-OH 3.46Å; L332-Y352 HydrophobicContact CB-CD1 4.4Å; L332-Y352 HydrophobicContact CB-CE1 3.98Å; L332-Y352 HydrophobicContact CB-CE2 4.5Å; L332-Y352 HydrophobicContact CD1-CD1 4.42Å; L332-Y352 HydrophobicContact CD1-CD2 3.74Å; L332-Y352 HydrophobicContact CD1-CE2 3.9Å; L332-Y352 HydrophobicContact CD1-CG 4.04Å; L332-Y352 PolarHBondContact N-OH 2.94Å; L335-Y352 HydrophobicContact CD1-CE2 3.9Å; E347-Y352 WeakPolarHBondContact O-CE2 3.35Å; I348-Y352 WeakPolarHBondContact O-CA 3.41Å; I348-Y352 VanDerWaalsContact O-CB 3.32Å; I348-Y352 WeakPolarHBondContact O-CB 3.27Å; I348-Y352 PolarHBondContact O-N 3.42Å; Y352-D354 VanDerWaalsContact C-N 3.31Å; Y352-D354 PolarHBondContact O-N 3.36Å; Y352-L355 HydrophobicContact CD1-CD2 3.98Å; Y352-L355 PolarHBondContact O-N 3.03Å; Y352-L356 VanDerWaalsContact O-CB 3.31Å; Y352-L356 WeakPolarHBondContact O-CB 3.39Å; Y352-L356 WeakPolarHBondContact O-CG 3.46Å; Y352-L356 PolarHBondContact O-N 3.25Å
353E70.5Confident65.9Low59 Ų5962.3 Ų62.328%0.27633%0.33SS..Hα-helixtrans-58.3-45.3-180-175.7175.4-168.900111.6V349 L356 R357 W380V349-E353 HydrophobicContact CG1-CB 4.21Å; V349-E353 VanDerWaalsContact CG1-OE2 3.22Å; V349-E353 WeakPolarHBondContact CG1-OE2 3.09Å; V349-E353 WeakPolarHBondContact O-CB 3.3Å; V349-E353 PolarHBondContact O-N 3.08Å; E353-L356 PolarHBondContact O-N 3.02Å; E353-R357 HydrophobicContact CG-CG 4.33Å; E353-R357 WeakPolarHBondContact O-CB 3.48Å; E353-R357 PolarHBondContact O-N 3.08Å; E353-R357 IonicContact OE1-CZ 2.81Å; E353-R357 IonicContact OE1-NE 3.6Å; E353-R357 IonicContact OE1-NH1 3.76Å; E353-R357 PolarHBondContact OE1-NH1 3.08Å; E353-R357 VanDerWaalsContact OE1-NH1 3.09Å; E353-W380 HydrophobicContact CB-CH2 4.25Å; E353-W380 HydrophobicContact CG-CH2 4.13Å; E353-W380 HydrophobicContact CG-CZ2 4.2Å
354D65.2Low64.8Low80 Ų8063.2 Ų63.243%0.42834%0.338SS..Hα-helixtrans-65.4-42.4179.6-78.213.4000111.9Y352 R358 G359Y352-D354 VanDerWaalsContact C-N 3.31Å; Y352-D354 PolarHBondContact O-N 3.36Å; D354-R358 WeakPolarHBondContact O-CB 3.22Å; D354-R358 PolarHBondContact O-N 3.13Å; D354-R358 IonicContact OD1-CZ 2.77Å; D354-R358 IonicContact OD1-NE 3.25Å; D354-R358 IonicContact OD1-NH2 3.96Å; D354-R358 PolarHBondContact OD1-NH2 3.34Å; D354-R358 IonicContact OD2-CZ 2.68Å; D354-R358 IonicContact OD2-NH2 3.88Å; D354-R358 PolarHBondContact OD2-NH2 3.3Å; D354-G359 PolarHBondContact O-N 2.83Å; D354-G359 VanDerWaalsContact O-N 3.08Å
355L66.7Low63.9Low10 Ų1065 Ų655%0.05236%0.355CS..Hα-helixtrans-63.2-44.4177.4-176.568.5000111.7E328 Y329 Y352 G359 T360 A363E328-L355 HydrophobicContact CB-CD2 3.81Å; E328-L355 WeakPolarHBondContact OE2-CD1 3.5Å; E328-L355 VanDerWaalsContact OE2-CD2 3.26Å; E328-L355 WeakPolarHBondContact OE2-CD2 3.34Å; Y329-L355 HydrophobicContact CE2-CD2 4.48Å; Y352-L355 HydrophobicContact CD1-CD2 3.98Å; Y352-L355 PolarHBondContact O-N 3.03Å; L355-G359 WeakPolarHBondContact O-CA 3.33Å; L355-G359 PolarHBondContact O-N 3.36Å; L355-T360 HydrophobicContact CD1-CG2 3.66Å; L355-T360 VanDerWaalsContact CD1-OG1 3.31Å; L355-T360 WeakPolarHBondContact CD1-OG1 3.44Å; L355-A363 HydrophobicContact CD1-CB 4.21Å
356L69.2Low63.1Low2 Ų261.1 Ų61.11%0.0134%0.338CS..Hα-helixtrans-80.5-35.1-172.3-67.5176.1000113.1L299 Y329 L332 Y352 E353 F369 W380 F383L299-L356 HydrophobicContact CD1-CD2 4.29Å; L299-L356 HydrophobicContact CD2-CD2 3.53Å; Y329-L356 HydrophobicContact CE1-CD2 4.17Å; L332-L356 HydrophobicContact CD2-CD1 4.37Å; L332-L356 HydrophobicContact CD2-CD2 4.39Å; Y352-L356 VanDerWaalsContact O-CB 3.31Å; Y352-L356 WeakPolarHBondContact O-CB 3.39Å; Y352-L356 WeakPolarHBondContact O-CG 3.46Å; Y352-L356 PolarHBondContact O-N 3.25Å; E353-L356 PolarHBondContact O-N 3.02Å; L356-F369 HydrophobicContact CB-CD2 4.01Å; L356-F369 HydrophobicContact CB-CE2 4.49Å; L356-F369 HydrophobicContact CD2-CE2 4.31Å; L356-W380 HydrophobicContact CB-CZ3 4.05Å; L356-W380 HydrophobicContact CD1-CH2 4.41Å; L356-W380 HydrophobicContact CD1-CZ3 3.98Å; L356-F383 HydrophobicContact CD1-CE1 4.06Å
357R63.2Low62.4Low71 Ų7159 Ų5927%0.26834%0.336SS..Hα-helixtrans-93.8-42.1-176.5-66.7-175.9168.8-155.8-12.1113.5E353 F369 W380E353-R357 HydrophobicContact CG-CG 4.33Å; E353-R357 WeakPolarHBondContact O-CB 3.48Å; E353-R357 PolarHBondContact O-N 3.08Å; E353-R357 IonicContact OE1-CZ 2.81Å; E353-R357 IonicContact OE1-NE 3.6Å; E353-R357 IonicContact OE1-NH1 3.76Å; E353-R357 PolarHBondContact OE1-NH1 3.08Å; E353-R357 VanDerWaalsContact OE1-NH1 3.09Å; R357-F369 HydrophobicContact CG-CB 4.26Å; R357-W380 HydrophobicContact CG-CE3 4.34Å; R357-W380 HydrophobicContact CG-CZ3 4.18Å
358R53.9Low61.9Low171 Ų17156 Ų5665%0.64532%0.322SS*.THydrogen-bonded Turntrans-102.2-26.9-175.3-64.6-169.2-81.3-120.610.5112.7D354D354-R358 WeakPolarHBondContact O-CB 3.22Å; D354-R358 PolarHBondContact O-N 3.13Å; D354-R358 IonicContact OD1-CZ 2.77Å; D354-R358 IonicContact OD1-NE 3.25Å; D354-R358 IonicContact OD1-NH2 3.96Å; D354-R358 PolarHBondContact OD1-NH2 3.34Å; D354-R358 IonicContact OD2-CZ 2.68Å; D354-R358 IonicContact OD2-NH2 3.88Å; D354-R358 PolarHBondContact OD2-NH2 3.3Å
359G56.5Low61.3Low19 Ų1956.1 Ų56.120%0.19632%0.323CS..  trans75.6148.3-169.400000111D354 L355 A363D354-G359 PolarHBondContact O-N 2.83Å; D354-G359 VanDerWaalsContact O-N 3.08Å; L355-G359 WeakPolarHBondContact O-CA 3.33Å; L355-G359 PolarHBondContact O-N 3.36Å; G359-A363 WeakPolarHBondContact CA-O 3.34Å
360T48.5Very low60.8Low44 Ų4457.3 Ų57.327%0.2733%0.328SS..BIsolated β-bridgetrans-93.5160.6172.350.20000109.7L355 A362 A363L355-T360 HydrophobicContact CD1-CG2 3.66Å; L355-T360 VanDerWaalsContact CD1-OG1 3.31Å; L355-T360 WeakPolarHBondContact CD1-OG1 3.44Å; T360-A362 PolarHBondContact O-N 3.47Å; T360-A363 PolarHBondContact N-O 3.19Å; T360-A363 VanDerWaalsContact N-O 3.09Å; T360-A363 CarbonylContact O-C 3.57Å; T360-A363 PolarHBondContact O-N 2.94Å; T360-A363 PolarHBondContact OG1-N 3.49Å
361P47.3Very low60.3Low147 Ų14753.2 Ų53.296%0.95531%0.314SS*.THydrogen-bonded Turntrans-55.1-26.7174.6-2432.9000113.5
362A48.1Very low59.7Low84 Ų8454 Ų5469%0.69432%0.321SS*.THydrogen-bonded Turntrans-83.5-23.2176.200000113.6T360T360-A362 PolarHBondContact O-N 3.47Å
363A51.1Low59.6Low6 Ų656 Ų565%0.0534%0.336CS..BIsolated β-bridgetrans-134.298.3-179.500000110.2L355 G359 T360L355-A363 HydrophobicContact CD1-CB 4.21Å; G359-A363 WeakPolarHBondContact CA-O 3.34Å; T360-A363 PolarHBondContact N-O 3.19Å; T360-A363 VanDerWaalsContact N-O 3.09Å; T360-A363 CarbonylContact O-C 3.57Å; T360-A363 PolarHBondContact O-N 2.94Å; T360-A363 PolarHBondContact OG1-N 3.49Å
364P55.7Low59.8Low65 Ų6558.7 Ų58.742%0.42235%0.353SS..  trans-55.9145.5177.820.5-31.4000110.8T366P364-T366 PolarHBondContact O-N 3.01Å
365P56.8Low60.2Low71 Ų7157 Ų5746%0.46135%0.35SS..  trans-61.4133.3-176.623.6-32000110.4G367P365-G367 PolarHBondContact O-N 2.97Å
366T58.4Low60.6Low20 Ų2056.6 Ų56.612%0.12335%0.349CS..  trans-71.1-11.1174.642.70000113K295 N296 L299 P364 I368K295-T366 HydrophobicContact CB-CG2 3.52Å; K295-T366 HydrophobicContact CD-CG2 4.24Å; K295-T366 HydrophobicContact CG-CG2 4.48Å; N296-T366 VanDerWaalsContact OD1-CB 3.26Å; N296-T366 WeakPolarHBondContact OD1-CB 3.33Å; N296-T366 WeakPolarHBondContact OD1-CG2 3.25Å; L299-T366 HydrophobicContact CD1-CG2 4.22Å; L299-T366 WeakPolarHBondContact CD1-OG1 3.35Å; P364-T366 PolarHBondContact O-N 3.01Å; T366-I368 PolarHBondContact O-N 3.35Å
367G59.1Low60.9Low41 Ų4162.1 Ų62.142%0.42337%0.369SS..SBendtrans70.2-9.5-176.400000114.8P365 F369 D370P365-G367 PolarHBondContact O-N 2.97Å; G367-F369 VanDerWaalsContact C-N 3.26Å; G367-F369 PolarHBondContact O-N 3.42Å; G367-D370 WeakPolarHBondContact O-CB 3.49Å; G367-D370 PolarHBondContact O-N 3.18Å
368I61.6Low61.8Low4 Ų461.1 Ų61.12%0.02138%0.376CS..THydrogen-bonded Turntrans-58.8-37.1-177.3-65.7173.9000112.3N296 L299 Y300 L303 T366 G376 R379N296-I368 HydrophobicContact CB-CD1 4.04Å; N296-I368 WeakPolarHBondContact OD1-CD1 3.48Å; L299-I368 HydrophobicContact CB-CD1 3.91Å; L299-I368 HydrophobicContact CD1-CB 4.46Å; L299-I368 HydrophobicContact CD1-CD1 3.87Å; L299-I368 HydrophobicContact CG-CD1 4.49Å; Y300-I368 HydrophobicContact CD2-CD1 3.95Å; Y300-I368 HydrophobicContact CE2-CD1 3.49Å; Y300-I368 VanDerWaalsContact CE2-CD1 3.49Å; Y300-I368 HydrophobicContact CE2-CG1 4.06Å; L303-I368 HydrophobicContact CD1-CG2 4.12Å; T366-I368 PolarHBondContact O-N 3.35Å; I368-G376 WeakPolarHBondContact O-CA 3.47Å; I368-R379 WeakPolarHBondContact O-CD 3.36Å
369F61.6Low63.1Low2 Ų254.7 Ų54.71%0.00935%0.352CS..THydrogen-bonded Turntrans-109.924.8-179.7-59.9-68.8000112.8L299 L303 L356 R357 G367 P371 R379 W380 F383L299-F369 HydrophobicContact CB-CE2 4.41Å; L299-F369 HydrophobicContact CD1-CD2 4.33Å; L299-F369 HydrophobicContact CD1-CE2 3.91Å; L299-F369 HydrophobicContact CD2-CE2 3.99Å; L299-F369 HydrophobicContact CG-CE2 4.3Å; L303-F369 HydrophobicContact CD1-CE1 4.36Å; L303-F369 HydrophobicContact CD1-CZ 4.21Å; L303-F369 HydrophobicContact CD2-CE1 4.08Å; L303-F369 HydrophobicContact CD2-CZ 4.24Å; L303-F369 HydrophobicContact CG-CZ 4.33Å; L356-F369 HydrophobicContact CB-CD2 4.01Å; L356-F369 HydrophobicContact CB-CE2 4.49Å; L356-F369 HydrophobicContact CD2-CE2 4.31Å; R357-F369 HydrophobicContact CG-CB 4.26Å; G367-F369 VanDerWaalsContact C-N 3.26Å; G367-F369 PolarHBondContact O-N 3.42Å; F369-P371 VanDerWaalsContact O-CD 3.27Å; F369-P371 WeakPolarHBondContact O-CD 3.35Å; F369-P371 VanDerWaalsContact O-N 3.09Å; F369-R379 HydrophobicContact CD1-CB 4.05Å; F369-R379 HydrophobicContact CE1-CB 4Å; F369-W380 HydrophobicContact CB-CE3 4.16Å; F369-W380 HydrophobicContact CD1-CB 4.15Å; F369-W380 AromaticContact CD1-CE3 3.75Å; F369-W380 HydrophobicContact CD1-CE3 3.75Å; F369-W380 HydrophobicContact CE1-CE3 4.22Å; F369-W380 AromaticContact CG-CE3 3.92Å; F369-W380 HydrophobicContact CG-CE3 3.92Å; F369-W380 HydrophobicContact CG-CZ3 4.45Å; F369-F383 HydrophobicContact CE1-CB 4.12Å; F369-F383 HydrophobicContact CZ-CB 4.37Å; F369-F383 HydrophobicContact CZ-CG 4.4Å
370D62.1Low64.3Low60 Ų6054.5 Ų54.532%0.32135%0.345SS..  trans-59117.3-179.7-170.3-24.5000109.8G367 S372 T373G367-D370 WeakPolarHBondContact O-CB 3.49Å; G367-D370 PolarHBondContact O-N 3.18Å; D370-S372 PolarHBondContact O-N 2.97Å; D370-S372 VanDerWaalsContact OD1-CB 3.32Å; D370-S372 WeakPolarHBondContact OD1-CB 3.47Å; D370-S372 PolarHBondContact OD1-N 3.04Å; D370-S372 PolarHBondContact OD1-OG 3.28Å; D370-S372 PolarHBondContact OD2-OG 3.31Å; D370-T373 PolarHBondContact O-N 3.49Å
371P61.1Low66Low62 Ų6257.4 Ų57.440%0.40336%0.356SS..THydrogen-bonded Turntrans-64.7-21.7-177.224.9-33.4000113F369 T373 R377F369-P371 VanDerWaalsContact O-CD 3.27Å; F369-P371 WeakPolarHBondContact O-CD 3.35Å; F369-P371 VanDerWaalsContact O-N 3.09Å; P371-T373 VanDerWaalsContact C-N 3.27Å; P371-T373 PolarHBondContact O-N 2.91Å; P371-R377 PolarHBondContact O-NH1 3.35Å
372S63.8Low67.8Low87 Ų8752.8 Ų52.861%0.60832%0.323SS*.THydrogen-bonded Turntrans-67.2-29.8177.567.70000112.5D370D370-S372 PolarHBondContact O-N 2.97Å; D370-S372 VanDerWaalsContact OD1-CB 3.32Å; D370-S372 WeakPolarHBondContact OD1-CB 3.47Å; D370-S372 PolarHBondContact OD1-N 3.04Å; D370-S372 PolarHBondContact OD1-OG 3.28Å; D370-S372 PolarHBondContact OD2-OG 3.31Å
373T70.8Confident69.6Low70 Ų7048.9 Ų48.943%0.42929%0.29SS..SBendtrans-97131.2-175.2-53.40000110.5D370 P371 A375 G376 R377D370-T373 PolarHBondContact O-N 3.49Å; P371-T373 VanDerWaalsContact C-N 3.27Å; P371-T373 PolarHBondContact O-N 2.91Å; T373-A375 HydrophobicContact CG2-CB 4.02Å; T373-A375 PolarHBondContact O-N 3.45Å; T373-G376 WeakPolarHBondContact O-CA 3.43Å; T373-G376 PolarHBondContact O-N 3.31Å; T373-R377 PolarHBondContact O-N 3.07Å; T373-R377 VanDerWaalsContact O-N 3.16Å
374D74.6Confident71.3Confident116 Ų11651.7 Ų51.762%0.6230%0.302SS*.Hα-helixtrans-54.5-38.6177.9-65.9-5.7000112.1G376 R377 A378D374-G376 VanDerWaalsContact C-N 3.33Å; D374-G376 PolarHBondContact O-N 2.98Å; D374-R377 PolarHBondContact O-N 3.24Å; D374-R377 IonicContact OD1-CZ 2.93Å; D374-R377 IonicContact OD1-NH1 3.73Å; D374-R377 PolarHBondContact OD1-NH1 3.23Å; D374-R377 IonicContact OD1-NH2 2.77Å; D374-R377 PolarHBondContact OD1-NH2 2.96Å; D374-A378 PolarHBondContact O-N 3.41Å
375A74.8Confident72.8Confident45 Ų4550 Ų5037%0.37229%0.29SS..Hα-helixtrans-62.5-37.8174.800000112.7T373 A378 R379T373-A375 HydrophobicContact CG2-CB 4.02Å; T373-A375 PolarHBondContact O-N 3.45Å; A375-A378 PolarHBondContact O-N 2.98Å; A375-R379 WeakPolarHBondContact O-CB 3.37Å; A375-R379 WeakPolarHBondContact O-CD 3.48Å; A375-R379 WeakPolarHBondContact O-CG 3.17Å; A375-R379 PolarHBondContact O-N 3.46Å
376G74.2Confident74.2Confident2 Ų248.7 Ų48.72%0.02128%0.276CS..Hα-helixtrans-66.9-41.6177.800000112.1I368 T373 D374 R379 W380I368-G376 WeakPolarHBondContact O-CA 3.47Å; T373-G376 WeakPolarHBondContact O-CA 3.43Å; T373-G376 PolarHBondContact O-N 3.31Å; D374-G376 VanDerWaalsContact C-N 3.33Å; D374-G376 PolarHBondContact O-N 2.98Å; G376-R379 PolarHBondContact O-N 3.38Å; G376-W380 PolarHBondContact O-N 3.35Å
377R76.1Confident75.5Confident118 Ų11847.9 Ų47.945%0.44527%0.271SS..Hα-helixtrans-63.6-43.6173.8-63.1-162.6-62-802.3112.1P371 T373 D374 R379 W380 E381P371-R377 PolarHBondContact O-NH1 3.35Å; T373-R377 PolarHBondContact O-N 3.07Å; T373-R377 VanDerWaalsContact O-N 3.16Å; D374-R377 PolarHBondContact O-N 3.24Å; D374-R377 IonicContact OD1-CZ 2.93Å; D374-R377 IonicContact OD1-NH1 3.73Å; D374-R377 PolarHBondContact OD1-NH1 3.23Å; D374-R377 IonicContact OD1-NH2 2.77Å; D374-R377 PolarHBondContact OD1-NH2 2.96Å; R377-R379 VanDerWaalsContact C-N 3.34Å; R377-R379 PolarHBondContact O-N 3.36Å; R377-W380 PolarHBondContact O-N 3.27Å; R377-E381 PolarHBondContact O-N 3.06Å; R377-E381 VanDerWaalsContact O-N 3.09Å
378A81Confident76.8Confident50 Ų5046.3 Ų46.341%0.41325%0.254SS..Hα-helixtrans-62.4-40175.800000112.4D374 A375 W380 E381 N382D374-A378 PolarHBondContact O-N 3.41Å; A375-A378 PolarHBondContact O-N 2.98Å; A378-W380 VanDerWaalsContact C-N 3.35Å; A378-E381 PolarHBondContact O-N 3.17Å; A378-N382 WeakPolarHBondContact O-CB 3.24Å; A378-N382 VanDerWaalsContact O-CG 3.31Å; A378-N382 PolarHBondContact O-N 3.39Å; A378-N382 PolarHBondContact O-ND2 3.32Å
379R81.7Confident78Confident36 Ų3646.7 Ų46.714%0.13626%0.256CS..Hα-helixtrans-64.7-38.7175.6-72.4162.7-176-170.9-3.2111.6E262 Y267 Y300 L303 I368 F369 A375 G376 R377 N382 F383E262-R379 IonicContact OE1-CZ 3.28Å; E262-R379 IonicContact OE1-NH1 3.41Å; E262-R379 IonicContact OE1-NH2 3.32Å; E262-R379 PolarHBondContact OE1-NH2 2.96Å; Y267-R379 HydrophobicContact CE1-CG 4.42Å; Y300-R379 PolarHBondContact OH-NH1 3.15Å; Y300-R379 PolarHBondContact OH-NH2 3.22Å; L303-R379 HydrophobicContact CD1-CB 4.34Å; L303-R379 HydrophobicContact CD1-CG 4.41Å; L303-R379 HydrophobicContact CD2-CB 4.47Å; L303-R379 WeakPolarHBondContact CD2-O 3.44Å; I368-R379 WeakPolarHBondContact O-CD 3.36Å; F369-R379 HydrophobicContact CD1-CB 4.05Å; F369-R379 HydrophobicContact CE1-CB 4Å; A375-R379 WeakPolarHBondContact O-CB 3.37Å; A375-R379 WeakPolarHBondContact O-CD 3.48Å; A375-R379 WeakPolarHBondContact O-CG 3.17Å; A375-R379 PolarHBondContact O-N 3.46Å; G376-R379 PolarHBondContact O-N 3.38Å; R377-R379 VanDerWaalsContact C-N 3.34Å; R377-R379 PolarHBondContact O-N 3.36Å; R379-N382 PolarHBondContact O-N 2.82Å; R379-F383 PolarHBondContact O-N 2.86Å
380W81.9Confident79.2Confident15 Ų1546.8 Ų46.86%0.05726%0.256CS..Hα-helixtrans-63.5-44.7176.1-173.3-96.4000112.5W344 E353 L356 R357 F369 G376 R377 A378 N382 F383 K384W344-W380 HydrophobicContact CH2-CZ2 4.25Å; W344-W380 AromaticContact CZ2-CE2 3.88Å; W344-W380 AromaticContact CZ2-CZ2 3.84Å; W344-W380 HydrophobicContact CZ2-CZ2 3.84Å; W344-W380 AromaticContact CZ2-NE1 3.85Å; E353-W380 HydrophobicContact CB-CH2 4.25Å; E353-W380 HydrophobicContact CG-CH2 4.13Å; E353-W380 HydrophobicContact CG-CZ2 4.2Å; L356-W380 HydrophobicContact CB-CZ3 4.05Å; L356-W380 HydrophobicContact CD1-CH2 4.41Å; L356-W380 HydrophobicContact CD1-CZ3 3.98Å; R357-W380 HydrophobicContact CG-CE3 4.34Å; R357-W380 HydrophobicContact CG-CZ3 4.18Å; F369-W380 HydrophobicContact CB-CE3 4.16Å; F369-W380 HydrophobicContact CD1-CB 4.15Å; F369-W380 AromaticContact CD1-CE3 3.75Å; F369-W380 HydrophobicContact CD1-CE3 3.75Å; F369-W380 HydrophobicContact CE1-CE3 4.22Å; F369-W380 AromaticContact CG-CE3 3.92Å; F369-W380 HydrophobicContact CG-CE3 3.92Å; F369-W380 HydrophobicContact CG-CZ3 4.45Å; G376-W380 PolarHBondContact O-N 3.35Å; R377-W380 PolarHBondContact O-N 3.27Å; A378-W380 VanDerWaalsContact C-N 3.35Å; W380-N382 VanDerWaalsContact C-N 3.32Å; W380-N382 PolarHBondContact O-N 3.47Å; W380-F383 HydrophobicContact CZ3-CD1 4.44Å; W380-F383 WeakPolarHBondContact O-CB 3.24Å; W380-F383 PolarHBondContact O-N 3.38Å; W380-F383 VanDerWaalsContact O-N 3.14Å; W380-K384 PolarHBondContact O-N 3.49Å
381E84.1Confident80.3Confident104 Ų10444 Ų4449%0.48624%0.241SC..Hα-helixtrans-64.1-38.8174.9-70.7-56.2149.800111.9R377 A378 F383 K384 V385R377-E381 PolarHBondContact O-N 3.06Å; R377-E381 VanDerWaalsContact O-N 3.09Å; A378-E381 PolarHBondContact O-N 3.17Å; E381-F383 VanDerWaalsContact C-N 3.29Å; E381-F383 PolarHBondContact O-N 2.94Å; E381-K384 WeakPolarHBondContact O-CB 3.28Å; E381-K384 PolarHBondContact O-N 3.36Å; E381-V385 WeakPolarHBondContact O-CG2 3.42Å; E381-V385 PolarHBondContact O-N 3.5Å
382N86.1Confident81.4Confident51 Ų5141 Ų4127%0.27322%0.222SC..Hα-helixtrans-61.6-39.8172.6-75.4-22.6000111.5Y267 L303 A378 R379 W380 V385 R386Y267-N382 HydrophobicContact CE2-CB 4.5Å; Y267-N382 PolarHBondContact OH-ND2 3.37Å; L303-N382 HydrophobicContact CD2-CB 4.28Å; A378-N382 WeakPolarHBondContact O-CB 3.24Å; A378-N382 VanDerWaalsContact O-CG 3.31Å; A378-N382 PolarHBondContact O-N 3.39Å; A378-N382 PolarHBondContact O-ND2 3.32Å; R379-N382 PolarHBondContact O-N 2.82Å; W380-N382 VanDerWaalsContact C-N 3.32Å; W380-N382 PolarHBondContact O-N 3.47Å; N382-V385 WeakPolarHBondContact O-CB 3.11Å; N382-V385 PolarHBondContact O-N 2.87Å; N382-R386 WeakPolarHBondContact O-CG 3.04Å; N382-R386 PolarHBondContact O-N 3.04Å
383F85.7Confident82.5Confident1 Ų139.2 Ų39.20%0.00420%0.202CC..Hα-helixtrans-63.9-42.4176.5-173.8-130.2000112.2L302 L303 L332 F336 W344 I348 L356 F369 R379 W380 E381 V385 R386 A387L302-F383 HydrophobicContact CB-CD2 4.39Å; L302-F383 HydrophobicContact CB-CE2 3.93Å; L302-F383 HydrophobicContact CD1-CE2 4.26Å; L303-F383 HydrophobicContact CD2-CB 3.78Å; L332-F383 HydrophobicContact CD1-CZ 4.36Å; L332-F383 HydrophobicContact CD2-CZ 4.49Å; F336-F383 HydrophobicContact CE1-CE2 4.36Å; F336-F383 AromaticContact CE2-CE2 3.85Å; F336-F383 HydrophobicContact CE2-CE2 3.85Å; F336-F383 AromaticContact CE2-CZ 3.84Å; F336-F383 HydrophobicContact CE2-CZ 3.84Å; F336-F383 HydrophobicContact CZ-CD2 4.43Å; F336-F383 AromaticContact CZ-CE2 3.47Å; F336-F383 HydrophobicContact CZ-CE2 3.47Å; F336-F383 VanDerWaalsContact CZ-CE2 3.47Å; F336-F383 AromaticContact CZ-CZ 3.75Å; F336-F383 HydrophobicContact CZ-CZ 3.75Å; W344-F383 AromaticContact CH2-CD1 3.58Å; W344-F383 HydrophobicContact CH2-CD1 3.58Å; W344-F383 HydrophobicContact CH2-CE1 4.05Å; W344-F383 HydrophobicContact CH2-CG 4.3Å; W344-F383 AromaticContact CZ3-CD1 3.85Å; W344-F383 HydrophobicContact CZ3-CD1 3.85Å; W344-F383 HydrophobicContact CZ3-CE1 4.01Å; W344-F383 HydrophobicContact CZ3-CG 4.43Å; I348-F383 HydrophobicContact CG2-CE1 3.63Å; I348-F383 HydrophobicContact CG2-CZ 4.26Å; L356-F383 HydrophobicContact CD1-CE1 4.06Å; F369-F383 HydrophobicContact CE1-CB 4.12Å; F369-F383 HydrophobicContact CZ-CB 4.37Å; F369-F383 HydrophobicContact CZ-CG 4.4Å; R379-F383 PolarHBondContact O-N 2.86Å; W380-F383 HydrophobicContact CZ3-CD1 4.44Å; W380-F383 WeakPolarHBondContact O-CB 3.24Å; W380-F383 PolarHBondContact O-N 3.38Å; W380-F383 VanDerWaalsContact O-N 3.14Å; E381-F383 VanDerWaalsContact C-N 3.29Å; E381-F383 PolarHBondContact O-N 2.94Å; F383-V385 VanDerWaalsContact C-N 3.32Å; F383-V385 PolarHBondContact O-N 2.98Å; F383-R386 PolarHBondContact O-N 3.31Å; F383-R386 VanDerWaalsContact O-N 3.13Å; F383-A387 PolarHBondContact O-N 3.38Å
384K85.5Confident83.3Confident66 Ų6636.2 Ų36.229%0.28718%0.183SC..Hα-helixtrans-58.3-44.8171.9-176.5-178.9177.4-173.70111.8W344 W380 E381 R386 A387 A388W344-K384 HydrophobicContact CD2-CB 4.37Å; W344-K384 HydrophobicContact CD2-CG 3.98Å; W344-K384 HydrophobicContact CE3-CB 4.42Å; W344-K384 HydrophobicContact CE3-CG 4.36Å; W344-K384 HydrophobicContact CG-CG 4.44Å; W344-K384 HydrophobicContact CH2-CB 3.76Å; W344-K384 HydrophobicContact CH2-CG 4.41Å; W344-K384 HydrophobicContact CZ2-CB 3.69Å; W344-K384 HydrophobicContact CZ2-CG 4.03Å; W344-K384 VanDerWaalsContact CZ3-CA 3.49Å; W344-K384 HydrophobicContact CZ3-CB 4.15Å; W380-K384 PolarHBondContact O-N 3.49Å; E381-K384 WeakPolarHBondContact O-CB 3.28Å; E381-K384 PolarHBondContact O-N 3.36Å; K384-R386 PolarHBondContact O-N 3.12Å; K384-A387 PolarHBondContact O-N 2.88Å; K384-A388 PolarHBondContact O-N 3.35Å
385V87Confident83.8Confident29 Ų2930.7 Ų30.718%0.17615%0.154CC..Hα-helixtrans-57.9-47.4173.4160.30000110.6E381 N382 F383 A387 A388 E389 F421E381-V385 WeakPolarHBondContact O-CG2 3.42Å; E381-V385 PolarHBondContact O-N 3.5Å; N382-V385 WeakPolarHBondContact O-CB 3.11Å; N382-V385 PolarHBondContact O-N 2.87Å; F383-V385 VanDerWaalsContact C-N 3.32Å; F383-V385 PolarHBondContact O-N 2.98Å; V385-A387 PolarHBondContact O-N 2.97Å; V385-A388 CarbonylContact O-C 3.45Å; V385-A388 WeakPolarHBondContact O-CB 3.05Å; V385-A388 PolarHBondContact O-N 3.13Å; V385-E389 HydrophobicContact CG1-CG 4.32Å; V385-E389 WeakPolarHBondContact O-CG 3.35Å; V385-E389 PolarHBondContact O-N 2.98Å; V385-F421 HydrophobicContact CG1-CE2 3.93Å; V385-F421 HydrophobicContact CG1-CZ 4.42Å
386R87Confident84.2Confident44 Ų4429.7 Ų29.717%0.16615%0.146CC..Hα-helixtrans-62.8-38.9179.1-63.8-52.3172.5-139-8.8113.5L302 L303 N382 F383 K384 E389 H390L302-R386 WeakPolarHBondContact O-CG 3.35Å; L303-R386 PolarHBondContact O-NE 2.98Å; N382-R386 WeakPolarHBondContact O-CG 3.04Å; N382-R386 PolarHBondContact O-N 3.04Å; F383-R386 PolarHBondContact O-N 3.31Å; F383-R386 VanDerWaalsContact O-N 3.13Å; K384-R386 PolarHBondContact O-N 3.12Å; R386-E389 VanDerWaalsContact CD-OE2 3.26Å; R386-E389 WeakPolarHBondContact CD-OE2 3.22Å; R386-E389 IonicContact CZ-OE2 3.68Å; R386-E389 IonicContact NE-OE2 3.07Å; R386-E389 IonicContact NH1-OE1 3.82Å; R386-E389 PolarHBondContact NH1-OE1 2.83Å; R386-E389 IonicContact NH1-OE2 3.23Å; R386-E389 PolarHBondContact NH1-OE2 2.64Å; R386-E389 PolarHBondContact O-N 2.7Å; R386-H390 PolarHBondContact O-N 3.16Å
387A86.7Confident84.7Confident3 Ų335.5 Ų35.53%0.02517%0.17CC..Hα-helixtrans-61.5-44.9173.200000111.3F336 W344 I348 F383 K384 V385 E389 H390 S391F336-A387 HydrophobicContact CE1-CB 4.22Å; F336-A387 HydrophobicContact CZ-CB 4.12Å; W344-A387 HydrophobicContact CE3-CB 3.5Å; W344-A387 VanDerWaalsContact CE3-CB 3.5Å; W344-A387 HydrophobicContact CZ3-CB 3.72Å; I348-A387 HydrophobicContact CD1-CB 3.74Å; F383-A387 PolarHBondContact O-N 3.38Å; K384-A387 PolarHBondContact O-N 2.88Å; V385-A387 PolarHBondContact O-N 2.97Å; A387-E389 PolarHBondContact O-N 3.12Å; A387-H390 WeakPolarHBondContact O-CB 3.19Å; A387-H390 PolarHBondContact O-N 3.3Å; A387-S391 PolarHBondContact O-N 3.24Å; A387-S391 PolarHBondContact O-OG 3.4Å
388A85.9Confident85.1Confident8 Ų836.3 Ų36.37%0.06617%0.174CC..Hα-helixtrans-63.9-38.2174.400000112.5K384 V385 H390 S391 M392 W413 F421K384-A388 PolarHBondContact O-N 3.35Å; V385-A388 CarbonylContact O-C 3.45Å; V385-A388 WeakPolarHBondContact O-CB 3.05Å; V385-A388 PolarHBondContact O-N 3.13Å; A388-H390 VanDerWaalsContact C-N 3.32Å; A388-H390 PolarHBondContact O-N 3.06Å; A388-S391 PolarHBondContact O-N 2.97Å; A388-M392 VanDerWaalsContact O-CB 3.25Å; A388-M392 WeakPolarHBondContact O-CB 3.22Å; A388-M392 PolarHBondContact O-N 3.22Å; A388-W413 HydrophobicContact CB-CH2 3.44Å; A388-W413 VanDerWaalsContact CB-CH2 3.44Å; A388-W413 HydrophobicContact CB-CZ2 3.36Å; A388-W413 HydrophobicContact CB-CZ3 4.28Å; A388-F421 HydrophobicContact CB-CE1 3.96Å; A388-F421 HydrophobicContact CB-CZ 3.76Å
389E86.6Confident85.3Confident12 Ų1238 Ų386%0.05617%0.171CC..Hα-helixtrans-61.8-40.3174.1-66.9-174.8164.400111.5V385 R386 A387 R393 F421 L425V385-E389 HydrophobicContact CG1-CG 4.32Å; V385-E389 WeakPolarHBondContact O-CG 3.35Å; V385-E389 PolarHBondContact O-N 2.98Å; R386-E389 VanDerWaalsContact CD-OE2 3.26Å; R386-E389 WeakPolarHBondContact CD-OE2 3.22Å; R386-E389 IonicContact CZ-OE2 3.68Å; R386-E389 IonicContact NE-OE2 3.07Å; R386-E389 IonicContact NH1-OE1 3.82Å; R386-E389 PolarHBondContact NH1-OE1 2.83Å; R386-E389 IonicContact NH1-OE2 3.23Å; R386-E389 PolarHBondContact NH1-OE2 2.64Å; R386-E389 PolarHBondContact O-N 2.7Å; A387-E389 PolarHBondContact O-N 3.12Å; E389-R393 WeakPolarHBondContact O-CG 3.33Å; E389-R393 PolarHBondContact O-N 3.47Å; E389-F421 HydrophobicContact CB-CZ 4.31Å; E389-F421 HydrophobicContact CG-CE1 4.17Å; E389-F421 HydrophobicContact CG-CE2 4.22Å; E389-F421 HydrophobicContact CG-CZ 3.44Å; E389-F421 VanDerWaalsContact CG-CZ 3.44Å; E389-L425 HydrophobicContact CG-CD1 4.47Å; E389-L425 HydrophobicContact CG-CD2 3.93Å
390H86.3Confident85.2Confident4 Ų439.4 Ų39.42%0.01919%0.186CC..Hα-helixtrans-61.4-55.8173.9175.996.5000111F336 R338 E340 L342 R386 A387 A388 M392 R393 M394F336-H390 HydrophobicContact CD1-CB 4.21Å; F336-H390 PolarHBondContact O-CE1 2.73Å; F336-H390 PolarHBondContact O-ND1 2.94Å; R338-H390 PolarHBondContact O-CE1 3.04Å; R338-H390 PolarHBondContact O-NE2 3.41Å; E340-H390 PolarHBondContact O-NE2 3.34Å; E340-H390 VanDerWaalsContact O-NE2 3.12Å; L342-H390 HydrophobicContact CD1-CB 4.16Å; L342-H390 WeakPolarHBondContact CD1-CD2 3.39Å; R386-H390 PolarHBondContact O-N 3.16Å; A387-H390 WeakPolarHBondContact O-CB 3.19Å; A387-H390 PolarHBondContact O-N 3.3Å; A388-H390 VanDerWaalsContact C-N 3.32Å; A388-H390 PolarHBondContact O-N 3.06Å; H390-M392 PolarHBondContact O-N 3.35Å; H390-R393 PolarHBondContact ND1-NH2 2.63Å; H390-R393 WeakPolarHBondContact O-CB 3.18Å; H390-R393 PolarHBondContact O-N 3.33Å; H390-M394 WeakPolarHBondContact NE2-CG 3.43Å; H390-M394 WeakPolarHBondContact O-CG 3.35Å; H390-M394 PolarHBondContact O-N 3.33Å
391S85.6Confident85.3Confident1 Ų143.2 Ų43.21%0.00720%0.204CC..Hα-helixtrans-56.8-39.6179.5-64.80000111.4L342 A387 A388 R393 M394 I395L342-S391 PolarHBondContact N-OG 2.84Å; L342-S391 PolarHBondContact O-OG 3.38Å; A387-S391 PolarHBondContact O-N 3.24Å; A387-S391 PolarHBondContact O-OG 3.4Å; A388-S391 PolarHBondContact O-N 2.97Å; S391-R393 PolarHBondContact O-N 3.47Å; S391-M394 PolarHBondContact O-N 3.13Å; S391-M394 VanDerWaalsContact O-N 3.13Å; S391-I395 WeakPolarHBondContact O-CG1 3.45Å; S391-I395 PolarHBondContact O-N 3.33Å
392M84.7Confident85.5Confident0 Ų038.7 Ų38.70%018%0.183CC..Hα-helixtrans-62.6-42.4176.8-159.868.890.700113.4A388 H390 M394 I395 A396 M407 L411 T418 F421 L422 L425 I431A388-M392 VanDerWaalsContact O-CB 3.25Å; A388-M392 WeakPolarHBondContact O-CB 3.22Å; A388-M392 PolarHBondContact O-N 3.22Å; H390-M392 PolarHBondContact O-N 3.35Å; M392-M394 VanDerWaalsContact C-N 3.27Å; M392-M394 PolarHBondContact O-N 3.37Å; M392-I395 PolarHBondContact O-N 3.03Å; M392-A396 WeakPolarHBondContact O-CB 3.48Å; M392-A396 PolarHBondContact O-N 3.03Å; M392-M407 HydrophobicContact CE-CE 3.71Å; M392-M407 HydrophobicContact CG-CE 4.37Å; M392-M407 HydrophobicContact SD-CE 2.97Å; M392-M407 WeakPolarHBondContact SD-CE 3.2Å; M392-L411 HydrophobicContact CE-CD1 3.41Å; M392-L411 VanDerWaalsContact CE-CD1 3.41Å; M392-L411 HydrophobicContact SD-CD1 3.93Å; M392-T418 HydrophobicContact CE-CG2 4.25Å; M392-F421 HydrophobicContact CB-CE1 4.44Å; M392-F421 HydrophobicContact CE-CD1 3.61Å; M392-F421 HydrophobicContact CE-CE1 4.15Å; M392-L422 HydrophobicContact CE-CB 4.28Å; M392-L422 HydrophobicContact CG-CD1 4.42Å; M392-L422 HydrophobicContact SD-CD1 4.41Å; M392-L425 HydrophobicContact CB-CD1 3.76Å; M392-L425 HydrophobicContact CG-CD1 3.64Å; M392-I431 HydrophobicContact CB-CD1 4.19Å; M392-I431 HydrophobicContact CG-CD1 3.37Å
393R86.1Confident85.6Confident48 Ų4838.4 Ų38.418%0.18119%0.185CC..Hα-helixtrans-63.1-37.1174-72.7-178.5-59.5123-3.9111.2H306 E389 H390 S391 A396 K397 T430H306-R393 PolarHBondContact CD2-NH1 3.19Å; H306-R393 PolarHBondContact CD2-NH2 3.21Å; H306-R393 PolarHBondContact CE1-NH1 3.36Å; H306-R393 VanDerWaalsContact CG-CZ 3.49Å; H306-R393 PolarHBondContact NE2-NH1 2.89Å; E389-R393 WeakPolarHBondContact O-CG 3.33Å; E389-R393 PolarHBondContact O-N 3.47Å; H390-R393 PolarHBondContact ND1-NH2 2.63Å; H390-R393 WeakPolarHBondContact O-CB 3.18Å; H390-R393 PolarHBondContact O-N 3.33Å; S391-R393 PolarHBondContact O-N 3.47Å; R393-A396 PolarHBondContact O-N 2.72Å; R393-K397 WeakPolarHBondContact O-CB 3.41Å; R393-K397 PolarHBondContact O-N 3.29Å; R393-T430 HydrophobicContact CG-CG2 3.98Å
394M86.9Confident85.6Confident7 Ų738.5 Ų38.53%0.03419%0.186CC..Hα-helixtrans-69-40.1177.4-59.3-38-53.200112.1Q339 E340 L341 H390 S391 M392 A396 K397 Y398Q339-M394 VanDerWaalsContact C-CE 3.46Å; Q339-M394 HydrophobicContact CB-CE 3.31Å; Q339-M394 HydrophobicContact CB-SD 4.29Å; Q339-M394 HydrophobicContact CG-CE 3.78Å; Q339-M394 HydrophobicContact CG-SD 4.36Å; E340-M394 WeakPolarHBondContact O-CG 3.49Å; L341-M394 HydrophobicContact CD2-CB 4.04Å; H390-M394 WeakPolarHBondContact NE2-CG 3.43Å; H390-M394 WeakPolarHBondContact O-CG 3.35Å; H390-M394 PolarHBondContact O-N 3.33Å; S391-M394 PolarHBondContact O-N 3.13Å; S391-M394 VanDerWaalsContact O-N 3.13Å; M392-M394 VanDerWaalsContact C-N 3.27Å; M392-M394 PolarHBondContact O-N 3.37Å; M394-A396 VanDerWaalsContact C-N 3.35Å; M394-A396 PolarHBondContact O-N 2.94Å; M394-K397 HydrophobicContact CE-CB 4.49Å; M394-K397 HydrophobicContact CE-CD 4.06Å; M394-K397 PolarHBondContact O-N 3.33Å; M394-Y398 HydrophobicContact CE-CD2 3.98Å; M394-Y398 HydrophobicContact CE-CE2 3.26Å; M394-Y398 VanDerWaalsContact O-CD2 3.23Å; M394-Y398 WeakPolarHBondContact O-CD2 3.39Å; M394-Y398 PolarHBondContact O-N 3.02Å
395I85.7Confident85.6Confident0 Ų040 Ų400%019%0.194CC..Hα-helixtrans-58.6-48.9171.5-64.8172.1000109.9L341 S391 M392 K397 Y398 Y399 I402 M407 L410 L411 F445L341-I395 HydrophobicContact CD2-CD1 4.25Å; L341-I395 HydrophobicContact CD2-CG1 3.49Å; L341-I395 VanDerWaalsContact CD2-CG1 3.49Å; S391-I395 WeakPolarHBondContact O-CG1 3.45Å; S391-I395 PolarHBondContact O-N 3.33Å; M392-I395 PolarHBondContact O-N 3.03Å; I395-K397 PolarHBondContact O-N 3.4Å; I395-Y398 PolarHBondContact O-N 3.45Å; I395-Y399 HydrophobicContact CB-CD2 4.31Å; I395-Y399 HydrophobicContact CG2-CD2 3.89Å; I395-Y399 HydrophobicContact CG2-CG 4.33Å; I395-Y399 WeakPolarHBondContact O-CB 3.07Å; I395-Y399 WeakPolarHBondContact O-CD2 3.3Å; I395-Y399 PolarHBondContact O-N 3.4Å; I395-I402 HydrophobicContact CG2-CD1 3.97Å; I395-I402 HydrophobicContact CG2-CG2 4.23Å; I395-M407 HydrophobicContact CD1-CG 4.13Å; I395-L410 HydrophobicContact CD1-CB 4.34Å; I395-L410 HydrophobicContact CD1-CD1 4.27Å; I395-L411 HydrophobicContact CD1-CG 4.41Å; I395-F445 HydrophobicContact CG2-CE2 3.7Å; I395-F445 HydrophobicContact CG2-CZ 3.77Å
396A83.9Confident85.6Confident25 Ų2544.4 Ų44.421%0.20721%0.207CC..Hα-helixtrans-61.8-31.1179.900000113.4M392 R393 M394 I431 F445M392-A396 WeakPolarHBondContact O-CB 3.48Å; M392-A396 PolarHBondContact O-N 3.03Å; R393-A396 PolarHBondContact O-N 2.72Å; M394-A396 VanDerWaalsContact C-N 3.35Å; M394-A396 PolarHBondContact O-N 2.94Å; A396-I431 HydrophobicContact CB-CD1 4.32Å; A396-I431 HydrophobicContact CB-CG1 4.34Å; A396-I431 HydrophobicContact CB-CG2 3.89Å; A396-F445 HydrophobicContact CB-CD1 3.46Å; A396-F445 VanDerWaalsContact CB-CD1 3.46Å; A396-F445 HydrophobicContact CB-CE1 3.68Å; A396-F445 HydrophobicContact CB-CG 4.08Å; A396-F445 HydrophobicContact CB-CZ 4.44Å
397K84.2Confident85.5Confident123 Ų12342.3 Ų42.354%0.53520%0.199SC..Hα-helixtrans-76.6-42.3179-171.7175.2-174.7176.80112.9Q339 R393 M394 I395Q339-K397 VanDerWaalsContact CD-NZ 3.26Å; R393-K397 WeakPolarHBondContact O-CB 3.41Å; R393-K397 PolarHBondContact O-N 3.29Å; M394-K397 HydrophobicContact CE-CB 4.49Å; M394-K397 HydrophobicContact CE-CD 4.06Å; M394-K397 PolarHBondContact O-N 3.33Å; I395-K397 PolarHBondContact O-N 3.4Å
398Y85.2Confident85.4Confident135 Ų13542.5 Ų42.553%0.52920%0.201SC..Hα-helixtrans-94.8-31-173-69-65.2000114.2Q339 M394 I395Q339-Y398 HydrophobicContact CB-CE2 4.47Å; Q339-Y398 WeakPolarHBondContact CB-OH 3.01Å; Q339-Y398 WeakPolarHBondContact O-CE2 3.41Å; Q339-Y398 PolarHBondContact O-OH 2.99Å; M394-Y398 HydrophobicContact CE-CD2 3.98Å; M394-Y398 HydrophobicContact CE-CE2 3.26Å; M394-Y398 VanDerWaalsContact O-CD2 3.23Å; M394-Y398 WeakPolarHBondContact O-CD2 3.39Å; M394-Y398 PolarHBondContact O-N 3.02Å; I395-Y398 PolarHBondContact O-N 3.45Å
399Y84Confident85.5Confident86 Ų8647.5 Ų47.534%0.33722%0.222SC..  trans-95.4129.4-178.2-66.4-95.6000110.6I395 I402 F445I395-Y399 HydrophobicContact CB-CD2 4.31Å; I395-Y399 HydrophobicContact CG2-CD2 3.89Å; I395-Y399 HydrophobicContact CG2-CG 4.33Å; I395-Y399 WeakPolarHBondContact O-CB 3.07Å; I395-Y399 WeakPolarHBondContact O-CD2 3.3Å; I395-Y399 PolarHBondContact O-N 3.4Å; Y399-I402 HydrophobicContact CD1-CB 4.43Å; Y399-I402 HydrophobicContact CD1-CD1 4.08Å; Y399-I402 HydrophobicContact CD1-CG1 4.35Å; Y399-I402 HydrophobicContact CD2-CD1 4.47Å; Y399-I402 HydrophobicContact CE1-CD1 4.2Å; Y399-I402 HydrophobicContact CG-CD1 4.22Å; Y399-F445 VanDerWaalsContact O-CD2 3.29Å; Y399-F445 WeakPolarHBondContact O-CD2 3.47Å
400S81.1Confident85.4Confident65 Ų6548.4 Ų48.446%0.45523%0.228SC..SBendtrans-77.8-40.7170.554.40000111.5F445S400-F445 PolarHBondContact O-N 2.89Å
401Q83.6Confident85.2Confident95 Ų9548.7 Ų48.744%0.44423%0.229SC..EExtended strand (participates in β ladder)trans-144.9138.2175.1-178.1174.5-16.600109.1V443Q401-V443 CarbonylContact C-O 3.58Å; Q401-V443 VanDerWaalsContact CA-O 3.26Å; Q401-V443 WeakPolarHBondContact CA-O 3.12Å
402I87.5Confident85Confident10 Ų1051.7 Ų51.75%0.05125%0.245CC..EExtended strand (participates in β ladder)trans-138.2148.5176-162.3170.4000109.7I395 Y399 R406 M407 L410 T442 V443 F445I395-I402 HydrophobicContact CG2-CD1 3.97Å; I395-I402 HydrophobicContact CG2-CG2 4.23Å; Y399-I402 HydrophobicContact CD1-CB 4.43Å; Y399-I402 HydrophobicContact CD1-CD1 4.08Å; Y399-I402 HydrophobicContact CD1-CG1 4.35Å; Y399-I402 HydrophobicContact CD2-CD1 4.47Å; Y399-I402 HydrophobicContact CE1-CD1 4.2Å; Y399-I402 HydrophobicContact CG-CD1 4.22Å; I402-R406 HydrophobicContact CD1-CG 4.31Å; I402-R406 HydrophobicContact CG1-CB 4.22Å; I402-R406 HydrophobicContact CG1-CG 4.38Å; I402-M407 HydrophobicContact CD1-CB 4.16Å; I402-M407 HydrophobicContact CG1-CB 4.49Å; I402-M407 HydrophobicContact CG2-CB 4.24Å; I402-M407 HydrophobicContact CG2-CG 4.42Å; I402-M407 HydrophobicContact CG2-SD 3.81Å; I402-L410 HydrophobicContact CD1-CD1 3.98Å; I402-T442 WeakPolarHBondContact O-CA 3.09Å; I402-V443 HydrophobicContact CG2-CB 4.26Å; I402-V443 PolarHBondContact N-O 2.9Å; I402-V443 PolarHBondContact O-N 3.3Å; I402-F445 HydrophobicContact CG2-CE2 3.63Å; I402-F445 HydrophobicContact CG2-CZ 4.22Å
403S87.8Confident84.9Confident45 Ų4554.1 Ų54.132%0.31526%0.255SS..EExtended strand (participates in β ladder)trans-75.6145168.362.80000110H405 R406 M407 V441S403-H405 PolarHBondContact O-N 3.14Å; S403-R406 PolarHBondContact O-N 3.37Å; S403-R406 WeakPolarHBondContact OG-CB 3.41Å; S403-R406 PolarHBondContact OG-N 2.93Å; S403-M407 WeakPolarHBondContact O-CB 3.44Å; S403-M407 PolarHBondContact O-N 3.19Å; S403-V441 WeakPolarHBondContact CA-O 3.36Å
404L85.9Confident84.9Confident3 Ų355.7 Ų55.72%0.01627%0.267CS..Hα-helixtrans-61.8-31.1175.9-72.8165.6000111.4M407 A408 I415 L422 I436 V441 V443L404-M407 HydrophobicContact CD2-SD 4.13Å; L404-M407 PolarHBondContact O-N 3.41Å; L404-A408 VanDerWaalsContact O-CB 3.27Å; L404-A408 WeakPolarHBondContact O-CB 3.34Å; L404-A408 PolarHBondContact O-N 3.29Å; L404-I415 HydrophobicContact CB-CG2 4.24Å; L404-L422 HydrophobicContact CD2-CD2 4.44Å; L404-I436 HydrophobicContact CD1-CG2 4.38Å; L404-V441 HydrophobicContact CB-CG1 3.73Å; L404-V441 HydrophobicContact CD1-CG1 4.03Å; L404-V441 HydrophobicContact CG-CG1 4.34Å; L404-V441 PolarHBondContact N-O 3.39Å; L404-V443 HydrophobicContact CD2-CG2 3.4Å; L404-V443 VanDerWaalsContact CD2-CG2 3.4Å; L404-V443 HydrophobicContact CG-CG2 3.84Å
405H86.7Confident84.7Confident97 Ų9758.3 Ų58.345%0.44928%0.28SS..Hα-helixtrans-59.2-52.3173.4-65.3-71.1000112.1S403 M407 A408 E409 I415S403-H405 PolarHBondContact O-N 3.14Å; H405-M407 VanDerWaalsContact C-N 3.26Å; H405-M407 PolarHBondContact O-N 3.13Å; H405-A408 PolarHBondContact O-N 3.18Å; H405-E409 WeakPolarHBondContact O-CG 3.3Å; H405-E409 PolarHBondContact O-N 3.02Å; H405-I415 VanDerWaalsContact CE1-CD1 3.44Å; H405-I415 WeakPolarHBondContact CE1-CD1 3.36Å; H405-I415 VanDerWaalsContact ND1-CD1 3.26Å; H405-I415 WeakPolarHBondContact ND1-CD1 3.25Å
406R85.8Confident84.8Confident122 Ų12264.1 Ų64.146%0.4631%0.311SS..Hα-helixtrans-66.8-33.9-179.5-176.155.5177.9167.54.4111.7I402 S403 E409 L410I402-R406 HydrophobicContact CD1-CG 4.31Å; I402-R406 HydrophobicContact CG1-CB 4.22Å; I402-R406 HydrophobicContact CG1-CG 4.38Å; S403-R406 PolarHBondContact O-N 3.37Å; S403-R406 WeakPolarHBondContact OG-CB 3.41Å; S403-R406 PolarHBondContact OG-N 2.93Å; R406-E409 VanDerWaalsContact CD-OE2 3.26Å; R406-E409 WeakPolarHBondContact CD-OE2 3.25Å; R406-E409 IonicContact CZ-OE2 3.35Å; R406-E409 IonicContact NE-OE2 3.09Å; R406-E409 IonicContact NH1-OE2 2.71Å; R406-E409 PolarHBondContact NH1-OE2 2.9Å; R406-E409 PolarHBondContact O-N 2.84Å; R406-L410 VanDerWaalsContact O-CG 3.28Å; R406-L410 WeakPolarHBondContact O-CG 3.26Å; R406-L410 PolarHBondContact O-N 3.22Å; R406-L410 VanDerWaalsContact O-N 3.08Å
407M84.9Confident84.9Confident0 Ų065.3 Ų65.30%032%0.318CS..Hα-helixtrans-66.5-41.9176.7-170.6171.8-177.100112.2M392 I395 I402 S403 L404 H405 L410 L411 T418 L422 V443 F445M392-M407 HydrophobicContact CE-CE 3.71Å; M392-M407 HydrophobicContact CG-CE 4.37Å; M392-M407 HydrophobicContact SD-CE 2.97Å; M392-M407 WeakPolarHBondContact SD-CE 3.2Å; I395-M407 HydrophobicContact CD1-CG 4.13Å; I402-M407 HydrophobicContact CD1-CB 4.16Å; I402-M407 HydrophobicContact CG1-CB 4.49Å; I402-M407 HydrophobicContact CG2-CB 4.24Å; I402-M407 HydrophobicContact CG2-CG 4.42Å; I402-M407 HydrophobicContact CG2-SD 3.81Å; S403-M407 WeakPolarHBondContact O-CB 3.44Å; S403-M407 PolarHBondContact O-N 3.19Å; L404-M407 HydrophobicContact CD2-SD 4.13Å; L404-M407 PolarHBondContact O-N 3.41Å; H405-M407 VanDerWaalsContact C-N 3.26Å; H405-M407 PolarHBondContact O-N 3.13Å; M407-L410 PolarHBondContact O-N 3.48Å; M407-L411 HydrophobicContact CG-CD1 4.41Å; M407-L411 WeakPolarHBondContact O-CG 3.46Å; M407-L411 PolarHBondContact O-N 3.22Å; M407-T418 HydrophobicContact CG-CG2 3.98Å; M407-T418 HydrophobicContact SD-CG2 4.43Å; M407-L422 HydrophobicContact CE-CB 4.49Å; M407-L422 HydrophobicContact CE-CD1 3.9Å; M407-L422 HydrophobicContact CE-CD2 3.88Å; M407-L422 HydrophobicContact CE-CG 4.31Å; M407-L422 HydrophobicContact SD-CD2 4.46Å; M407-V443 HydrophobicContact SD-CG2 4.07Å; M407-F445 HydrophobicContact CE-CE1 4.5Å; M407-F445 HydrophobicContact CE-CZ 3.83Å; M407-F445 HydrophobicContact SD-CZ 4.46Å
408A86.3Confident84.9Confident6 Ų659.5 Ų59.55%0.0529%0.293CS..Hα-helixtrans-63.7-42.3174.600000111.5L404 H405 L410 L411 D412 W413 I415L404-A408 VanDerWaalsContact O-CB 3.27Å; L404-A408 WeakPolarHBondContact O-CB 3.34Å; L404-A408 PolarHBondContact O-N 3.29Å; H405-A408 PolarHBondContact O-N 3.18Å; A408-L410 VanDerWaalsContact C-N 3.31Å; A408-L410 PolarHBondContact O-N 3.4Å; A408-L411 PolarHBondContact O-N 3.04Å; A408-D412 PolarHBondContact O-N 3.24Å; A408-W413 WeakPolarHBondContact CB-O 3.39Å; A408-W413 PolarHBondContact O-N 2.94Å; A408-W413 VanDerWaalsContact O-N 3.16Å; A408-I415 HydrophobicContact CB-CG1 4.17Å
409E86.2Confident84.9Confident113 Ų11354.8 Ų54.853%0.52828%0.275SS..Hα-helixtrans-59.9-37.3172.7-72.2171.8-170.900113H405 R406 L411H405-E409 WeakPolarHBondContact O-CG 3.3Å; H405-E409 PolarHBondContact O-N 3.02Å; R406-E409 VanDerWaalsContact CD-OE2 3.26Å; R406-E409 WeakPolarHBondContact CD-OE2 3.25Å; R406-E409 IonicContact CZ-OE2 3.35Å; R406-E409 IonicContact NE-OE2 3.09Å; R406-E409 IonicContact NH1-OE2 2.71Å; R406-E409 PolarHBondContact NH1-OE2 2.9Å; R406-E409 PolarHBondContact O-N 2.84Å; E409-L411 VanDerWaalsContact C-N 3.3Å
410L84.5Confident85.1Confident32 Ų3257.7 Ų57.717%0.16829%0.292CS..Hα-helixtrans-74.2-21.3179.3-71.7173.7000113.3L341 I395 I402 R406 M407 A408L341-L410 HydrophobicContact CD1-CD1 4.12Å; L341-L410 HydrophobicContact CD1-CD2 4.09Å; I395-L410 HydrophobicContact CD1-CB 4.34Å; I395-L410 HydrophobicContact CD1-CD1 4.27Å; I402-L410 HydrophobicContact CD1-CD1 3.98Å; R406-L410 VanDerWaalsContact O-CG 3.28Å; R406-L410 WeakPolarHBondContact O-CG 3.26Å; R406-L410 PolarHBondContact O-N 3.22Å; R406-L410 VanDerWaalsContact O-N 3.08Å; M407-L410 PolarHBondContact O-N 3.48Å; A408-L410 VanDerWaalsContact C-N 3.31Å; A408-L410 PolarHBondContact O-N 3.4Å
411L83Confident85.3Confident10 Ų1055 Ų555%0.05227%0.272CS..Hα-helixtrans-102.4-4.5-178.9-66.3169.5000113M392 I395 M407 A408 E409 W413 T418M392-L411 HydrophobicContact CE-CD1 3.41Å; M392-L411 VanDerWaalsContact CE-CD1 3.41Å; M392-L411 HydrophobicContact SD-CD1 3.93Å; I395-L411 HydrophobicContact CD1-CG 4.41Å; M407-L411 HydrophobicContact CG-CD1 4.41Å; M407-L411 WeakPolarHBondContact O-CG 3.46Å; M407-L411 PolarHBondContact O-N 3.22Å; A408-L411 PolarHBondContact O-N 3.04Å; E409-L411 VanDerWaalsContact C-N 3.3Å; L411-W413 HydrophobicContact CB-CB 4.42Å; L411-W413 HydrophobicContact CB-CG 4.37Å; L411-W413 PolarHBondContact O-N 3.38Å; L411-W413 PolarHBondContact O-NE1 2.85Å; L411-T418 HydrophobicContact CD1-CG2 3.86Å
412D81.2Confident85.5Confident64 Ų6450.5 Ų50.534%0.34225%0.251SS..THydrogen-bonded Turntrans54.931.2-170.1-61.6-43.6000114.1N343 A408N343-D412 PolarHBondContact OD1-OD2 3.26Å; A408-D412 PolarHBondContact O-N 3.24Å
413W82Confident85.4Confident51 Ų5151.6 Ų51.619%0.19326%0.26CS..  trans-114.6165.4-177.9-71.713.3000111A388 A408 L411 F421A388-W413 HydrophobicContact CB-CH2 3.44Å; A388-W413 VanDerWaalsContact CB-CH2 3.44Å; A388-W413 HydrophobicContact CB-CZ2 3.36Å; A388-W413 HydrophobicContact CB-CZ3 4.28Å; A408-W413 WeakPolarHBondContact CB-O 3.39Å; A408-W413 PolarHBondContact O-N 2.94Å; A408-W413 VanDerWaalsContact O-N 3.16Å; L411-W413 HydrophobicContact CB-CB 4.42Å; L411-W413 HydrophobicContact CB-CG 4.37Å; L411-W413 PolarHBondContact O-N 3.38Å; L411-W413 PolarHBondContact O-NE1 2.85Å; W413-F421 HydrophobicContact CE3-CB 4.48Å; W413-F421 HydrophobicContact CH2-CD1 4.42Å; W413-F421 AromaticContact CH2-CD2 3.79Å; W413-F421 HydrophobicContact CH2-CD2 3.79Å; W413-F421 HydrophobicContact CH2-CE1 4.37Å; W413-F421 AromaticContact CH2-CE2 3.7Å; W413-F421 HydrophobicContact CH2-CE2 3.7Å; W413-F421 HydrophobicContact CH2-CG 4.13Å; W413-F421 HydrophobicContact CH2-CZ 4.01Å; W413-F421 HydrophobicContact CZ3-CB 3.76Å; W413-F421 AromaticContact CZ3-CD1 3.94Å; W413-F421 HydrophobicContact CZ3-CD1 3.94Å; W413-F421 AromaticContact CZ3-CD2 3.6Å; W413-F421 HydrophobicContact CZ3-CD2 3.6Å; W413-F421 HydrophobicContact CZ3-CE1 4.32Å; W413-F421 AromaticContact CZ3-CE2 3.98Å; W413-F421 HydrophobicContact CZ3-CE2 3.98Å; W413-F421 AromaticContact CZ3-CG 3.53Å; W413-F421 HydrophobicContact CZ3-CG 3.53Å; W413-F421 HydrophobicContact CZ3-CZ 4.33Å
414D86.1Confident85.3Confident81 Ų8154.5 Ų54.543%0.43326%0.264SS..  trans-75.4160.5169.869.6-71.4000111.3N416 S417 T418D414-N416 VanDerWaalsContact C-N 3.3Å; D414-N416 PolarHBondContact O-N 3.4Å; D414-N416 WeakPolarHBondContact OD2-CB 3.34Å; D414-N416 PolarHBondContact OD2-N 3.34Å; D414-N416 VanDerWaalsContact OD2-N 3.17Å; D414-S417 VanDerWaalsContact CG-OG 3.25Å; D414-S417 WeakPolarHBondContact OD1-CB 3.49Å; D414-S417 PolarHBondContact OD1-OG 3.1Å; D414-S417 PolarHBondContact OD2-N 3.49Å; D414-S417 PolarHBondContact OD2-OG 2.97Å; D414-T418 VanDerWaalsContact O-CB 3.32Å; D414-T418 WeakPolarHBondContact O-CB 3.34Å; D414-T418 PolarHBondContact O-N 3.11Å; D414-T418 PolarHBondContact O-OG1 2.84Å
415I84.4Confident85.3Confident61 Ų6154.4 Ų54.431%0.31326%0.263SS..Hα-helixtrans-62.3-39.5-175.6-59.4161.2000111.1L404 H405 A408 T418 E419L404-I415 HydrophobicContact CB-CG2 4.24Å; H405-I415 VanDerWaalsContact CE1-CD1 3.44Å; H405-I415 WeakPolarHBondContact CE1-CD1 3.36Å; H405-I415 VanDerWaalsContact ND1-CD1 3.26Å; H405-I415 WeakPolarHBondContact ND1-CD1 3.25Å; A408-I415 HydrophobicContact CB-CG1 4.17Å; I415-T418 PolarHBondContact O-N 3.01Å; I415-E419 PolarHBondContact O-N 3.28Å
416N87Confident85.2Confident122 Ų12252 Ų5265%0.65225%0.253SS*.Hα-helixtrans-71.8-47.3-175.5-62.2-29.2000110.9D414 T418 E419 E420D414-N416 VanDerWaalsContact C-N 3.3Å; D414-N416 PolarHBondContact O-N 3.4Å; D414-N416 WeakPolarHBondContact OD2-CB 3.34Å; D414-N416 PolarHBondContact OD2-N 3.34Å; D414-N416 VanDerWaalsContact OD2-N 3.17Å; N416-T418 VanDerWaalsContact C-N 3.27Å; N416-T418 PolarHBondContact O-N 3.02Å; N416-E419 PolarHBondContact O-N 2.62Å; N416-E420 PolarHBondContact O-N 2.85Å
417S85.6Confident85.1Confident51 Ų5152.6 Ų52.636%0.35727%0.265SS..Hα-helixtrans-63.3-35.5175.7-56.40000112D414 E420 F421D414-S417 VanDerWaalsContact CG-OG 3.25Å; D414-S417 WeakPolarHBondContact OD1-CB 3.49Å; D414-S417 PolarHBondContact OD1-OG 3.1Å; D414-S417 PolarHBondContact OD2-N 3.49Å; D414-S417 PolarHBondContact OD2-OG 2.97Å; S417-E420 PolarHBondContact O-N 3.03Å; S417-F421 WeakPolarHBondContact O-CB 3.49Å; S417-F421 PolarHBondContact O-N 2.97Å
418T84.8Confident84.9Confident0 Ų057.8 Ų57.80%029%0.293CS..Hα-helixtrans-64.3-43.2174.9-57.60000111.4M392 M407 L411 D414 I415 N416 L422M392-T418 HydrophobicContact CE-CG2 4.25Å; M407-T418 HydrophobicContact CG-CG2 3.98Å; M407-T418 HydrophobicContact SD-CG2 4.43Å; L411-T418 HydrophobicContact CD1-CG2 3.86Å; D414-T418 VanDerWaalsContact O-CB 3.32Å; D414-T418 WeakPolarHBondContact O-CB 3.34Å; D414-T418 PolarHBondContact O-N 3.11Å; D414-T418 PolarHBondContact O-OG1 2.84Å; I415-T418 PolarHBondContact O-N 3.01Å; N416-T418 VanDerWaalsContact C-N 3.27Å; N416-T418 PolarHBondContact O-N 3.02Å; T418-L422 VanDerWaalsContact O-CB 3.25Å; T418-L422 WeakPolarHBondContact O-CB 3.28Å; T418-L422 PolarHBondContact O-N 3.48Å
419E85.5Confident84.6Confident36 Ų3659.5 Ų59.517%0.16831%0.312CS..Hα-helixtrans-63.1-47.1175.3-174.2-177.6163.400111.4I415 N416 F421 L422 C423 I436 R438I415-E419 PolarHBondContact O-N 3.28Å; N416-E419 PolarHBondContact O-N 2.62Å; E419-F421 VanDerWaalsContact C-N 3.35Å; E419-F421 PolarHBondContact O-N 3.3Å; E419-L422 PolarHBondContact O-N 2.88Å; E419-C423 WeakPolarHBondContact O-CB 3.43Å; E419-C423 PolarHBondContact O-N 3.35Å; E419-C423 PolarHBondContact O-SG 2.83Å; E419-I436 HydrophobicContact CG-CD1 4.38Å; E419-R438 IonicContact OE1-CZ 2.7Å; E419-R438 VanDerWaalsContact OE1-CZ 3.25Å; E419-R438 IonicContact OE1-NE 2.71Å; E419-R438 PolarHBondContact OE1-NE 3.47Å; E419-R438 IonicContact OE1-NH2 3.57Å; E419-R438 PolarHBondContact OE1-NH2 3.06Å
420E87.8Confident84.2Confident147 Ų14756.4 Ų56.469%0.68730%0.301SS*.Hα-helixtrans-61.1-44.6179.8-173.9178.5176.300111.6N416 S417 C423 R424N416-E420 PolarHBondContact O-N 2.85Å; S417-E420 PolarHBondContact O-N 3.03Å; E420-C423 WeakPolarHBondContact O-CB 3.21Å; E420-C423 PolarHBondContact O-N 3.01Å; E420-R424 PolarHBondContact O-N 2.92Å
421F85.5Confident83.9Confident9 Ų955.3 Ų55.34%0.03930%0.295CS..Hα-helixtrans-66.2-41.1178.1-173.4-100.8000112.7V385 A388 E389 M392 W413 S417 E419 R424 L425V385-F421 HydrophobicContact CG1-CE2 3.93Å; V385-F421 HydrophobicContact CG1-CZ 4.42Å; A388-F421 HydrophobicContact CB-CE1 3.96Å; A388-F421 HydrophobicContact CB-CZ 3.76Å; E389-F421 HydrophobicContact CB-CZ 4.31Å; E389-F421 HydrophobicContact CG-CE1 4.17Å; E389-F421 HydrophobicContact CG-CE2 4.22Å; E389-F421 HydrophobicContact CG-CZ 3.44Å; E389-F421 VanDerWaalsContact CG-CZ 3.44Å; M392-F421 HydrophobicContact CB-CE1 4.44Å; M392-F421 HydrophobicContact CE-CD1 3.61Å; M392-F421 HydrophobicContact CE-CE1 4.15Å; W413-F421 HydrophobicContact CE3-CB 4.48Å; W413-F421 HydrophobicContact CH2-CD1 4.42Å; W413-F421 AromaticContact CH2-CD2 3.79Å; W413-F421 HydrophobicContact CH2-CD2 3.79Å; W413-F421 HydrophobicContact CH2-CE1 4.37Å; W413-F421 AromaticContact CH2-CE2 3.7Å; W413-F421 HydrophobicContact CH2-CE2 3.7Å; W413-F421 HydrophobicContact CH2-CG 4.13Å; W413-F421 HydrophobicContact CH2-CZ 4.01Å; W413-F421 HydrophobicContact CZ3-CB 3.76Å; W413-F421 AromaticContact CZ3-CD1 3.94Å; W413-F421 HydrophobicContact CZ3-CD1 3.94Å; W413-F421 AromaticContact CZ3-CD2 3.6Å; W413-F421 HydrophobicContact CZ3-CD2 3.6Å; W413-F421 HydrophobicContact CZ3-CE1 4.32Å; W413-F421 AromaticContact CZ3-CE2 3.98Å; W413-F421 HydrophobicContact CZ3-CE2 3.98Å; W413-F421 AromaticContact CZ3-CG 3.53Å; W413-F421 HydrophobicContact CZ3-CG 3.53Å; W413-F421 HydrophobicContact CZ3-CZ 4.33Å; S417-F421 WeakPolarHBondContact O-CB 3.49Å; S417-F421 PolarHBondContact O-N 2.97Å; E419-F421 VanDerWaalsContact C-N 3.35Å; E419-F421 PolarHBondContact O-N 3.3Å; F421-R424 WeakPolarHBondContact O-CB 3.35Å; F421-R424 PolarHBondContact O-N 3.49Å; F421-L425 HydrophobicContact CD1-CD1 3.69Å; F421-L425 HydrophobicContact CD1-CG 4.37Å; F421-L425 HydrophobicContact CE1-CD1 3.39Å; F421-L425 HydrophobicContact CE1-CG 4.23Å; F421-L425 HydrophobicContact CZ-CD1 4.14Å; F421-L425 WeakPolarHBondContact O-CG 3.3Å; F421-L425 PolarHBondContact O-N 2.55Å
422L86.2Confident83.4Confident0 Ų060.4 Ų60.40%033%0.326CS..Hα-helixtrans-60.5-45.6172.8176.764.2000110.9M392 L404 M407 T418 E419 R424 L425 I426 I431 I436 V443 F445M392-L422 HydrophobicContact CE-CB 4.28Å; M392-L422 HydrophobicContact CG-CD1 4.42Å; M392-L422 HydrophobicContact SD-CD1 4.41Å; L404-L422 HydrophobicContact CD2-CD2 4.44Å; M407-L422 HydrophobicContact CE-CB 4.49Å; M407-L422 HydrophobicContact CE-CD1 3.9Å; M407-L422 HydrophobicContact CE-CD2 3.88Å; M407-L422 HydrophobicContact CE-CG 4.31Å; M407-L422 HydrophobicContact SD-CD2 4.46Å; T418-L422 VanDerWaalsContact O-CB 3.25Å; T418-L422 WeakPolarHBondContact O-CB 3.28Å; T418-L422 PolarHBondContact O-N 3.48Å; E419-L422 PolarHBondContact O-N 2.88Å; L422-R424 VanDerWaalsContact C-N 3.29Å; L422-R424 PolarHBondContact O-N 3.21Å; L422-L425 PolarHBondContact O-N 2.92Å; L422-L425 VanDerWaalsContact O-N 3.15Å; L422-I426 HydrophobicContact CD1-CD1 4.11Å; L422-I426 HydrophobicContact CD1-CG1 4.31Å; L422-I426 HydrophobicContact CG-CD1 3.88Å; L422-I426 HydrophobicContact CG-CG1 4.49Å; L422-I426 VanDerWaalsContact O-CG1 3.28Å; L422-I426 WeakPolarHBondContact O-CG1 3.44Å; L422-I426 PolarHBondContact O-N 2.67Å; L422-I431 HydrophobicContact CD1-CD1 4.08Å; L422-I436 HydrophobicContact CD2-CD1 3.7Å; L422-I436 HydrophobicContact CD2-CG1 3.85Å; L422-I436 HydrophobicContact CG-CD1 4.15Å; L422-V443 HydrophobicContact CD2-CB 4.31Å; L422-V443 HydrophobicContact CD2-CG1 3.75Å; L422-V443 HydrophobicContact CD2-CG2 3.57Å; L422-F445 HydrophobicContact CD1-CE1 4.29Å
423C85.6Confident83Confident34 Ų3459.1 Ų59.123%0.2333%0.328CS..Hα-helixtrans-58.1-43.1175.8-68.70000111.4E419 E420 L425 I426 N427E419-C423 WeakPolarHBondContact O-CB 3.43Å; E419-C423 PolarHBondContact O-N 3.35Å; E419-C423 PolarHBondContact O-SG 2.83Å; E420-C423 WeakPolarHBondContact O-CB 3.21Å; E420-C423 PolarHBondContact O-N 3.01Å; C423-L425 VanDerWaalsContact C-N 3.34Å; C423-L425 PolarHBondContact O-N 2.73Å; C423-I426 PolarHBondContact O-N 3.17Å; C423-N427 WeakPolarHBondContact O-CB 3.39Å; C423-N427 PolarHBondContact O-N 3.33Å; C423-N427 PolarHBondContact O-ND2 3.44Å
424R87.2Confident82.9Confident106 Ų10657.2 Ų57.240%0.432%0.324SS..Hα-helixtrans-60.7-42.1175.8-170.4175.371-175.29.3112.2E420 F421 L422 N427 N428E420-R424 PolarHBondContact O-N 2.92Å; F421-R424 WeakPolarHBondContact O-CB 3.35Å; F421-R424 PolarHBondContact O-N 3.49Å; L422-R424 VanDerWaalsContact C-N 3.29Å; L422-R424 PolarHBondContact O-N 3.21Å; R424-N427 PolarHBondContact O-N 2.97Å; R424-N428 WeakPolarHBondContact O-CB 3.15Å; R424-N428 PolarHBondContact O-N 3.16Å; R424-N428 PolarHBondContact O-OD1 3.18Å
425L84.8Confident82.6Confident0 Ų059 Ų590%033%0.328CS..Hα-helixtrans-71-32178.8-73.2174.6000113.9E389 M392 F421 L422 C423 G429 T430 I431E389-L425 HydrophobicContact CG-CD1 4.47Å; E389-L425 HydrophobicContact CG-CD2 3.93Å; M392-L425 HydrophobicContact CB-CD1 3.76Å; M392-L425 HydrophobicContact CG-CD1 3.64Å; F421-L425 HydrophobicContact CD1-CD1 3.69Å; F421-L425 HydrophobicContact CD1-CG 4.37Å; F421-L425 HydrophobicContact CE1-CD1 3.39Å; F421-L425 HydrophobicContact CE1-CG 4.23Å; F421-L425 HydrophobicContact CZ-CD1 4.14Å; F421-L425 WeakPolarHBondContact O-CG 3.3Å; F421-L425 PolarHBondContact O-N 2.55Å; L422-L425 PolarHBondContact O-N 2.92Å; L422-L425 VanDerWaalsContact O-N 3.15Å; C423-L425 VanDerWaalsContact C-N 3.34Å; C423-L425 PolarHBondContact O-N 2.73Å; L425-G429 PolarHBondContact O-N 2.95Å; L425-T430 HydrophobicContact CD2-CG2 4.12Å; L425-T430 PolarHBondContact O-N 3.29Å; L425-I431 HydrophobicContact CB-CD1 3.98Å; L425-I431 HydrophobicContact CB-CG1 4.28Å; L425-I431 HydrophobicContact CD1-CD1 4.01Å; L425-I431 PolarHBondContact O-N 2.89Å
426I84.4Confident82.6Confident46 Ų4658.3 Ų58.324%0.23632%0.324CS..Hα-helixtrans-67-47.3171.5-66.4166.9000109.7L422 C423 N428 G429 A434 I436L422-I426 HydrophobicContact CD1-CD1 4.11Å; L422-I426 HydrophobicContact CD1-CG1 4.31Å; L422-I426 HydrophobicContact CG-CD1 3.88Å; L422-I426 HydrophobicContact CG-CG1 4.49Å; L422-I426 VanDerWaalsContact O-CG1 3.28Å; L422-I426 WeakPolarHBondContact O-CG1 3.44Å; L422-I426 PolarHBondContact O-N 2.67Å; C423-I426 PolarHBondContact O-N 3.17Å; I426-N428 VanDerWaalsContact C-N 3.33Å; I426-N428 PolarHBondContact O-N 3.5Å; I426-G429 PolarHBondContact O-N 3.1Å; I426-A434 HydrophobicContact CD1-CB 3.82Å; I426-A434 HydrophobicContact CG1-CB 4.01Å; I426-I436 HydrophobicContact CD1-CD1 4.24Å; I426-I436 HydrophobicContact CD1-CG1 4.36Å
427N83.9Confident82.5Confident136 Ų13656.2 Ų56.273%0.72731%0.313SS*.Hα-helixtrans-63.3-37.1179.6-70.3-16000112.7C423 R424 G429C423-N427 WeakPolarHBondContact O-CB 3.39Å; C423-N427 PolarHBondContact O-N 3.33Å; C423-N427 PolarHBondContact O-ND2 3.44Å; R424-N427 PolarHBondContact O-N 2.97Å; N427-G429 PolarHBondContact O-N 2.98Å
428N81.9Confident82.3Confident108 Ų10861.8 Ų61.858%0.57833%0.326SS*.THydrogen-bonded Turntrans-74.4-7.9176.4-70.4-4.7000113.3R424 I426 T430R424-N428 WeakPolarHBondContact O-CB 3.15Å; R424-N428 PolarHBondContact O-N 3.16Å; R424-N428 PolarHBondContact O-OD1 3.18Å; I426-N428 VanDerWaalsContact C-N 3.33Å; I426-N428 PolarHBondContact O-N 3.5Å; N428-T430 VanDerWaalsContact C-N 3.25Å; N428-T430 PolarHBondContact O-N 3.42Å
429G79.5Confident82.1Confident43 Ų4367.8 Ų67.844%0.44337%0.365SS..THydrogen-bonded Turntrans76.36.2-177.600000114.7L425 I426 N427 I431L425-G429 PolarHBondContact O-N 2.95Å; I426-G429 PolarHBondContact O-N 3.1Å; N427-G429 PolarHBondContact O-N 2.98Å; G429-I431 VanDerWaalsContact C-N 3.3Å; G429-I431 PolarHBondContact O-N 2.89Å
430T77.5Confident82Confident48 Ų4868.7 Ų68.729%0.29438%0.378SS..SBendtrans-65.8-36176.5-49.50000111.5R393 L425 N428R393-T430 HydrophobicContact CG-CG2 3.98Å; L425-T430 HydrophobicContact CD2-CG2 4.12Å; L425-T430 PolarHBondContact O-N 3.29Å; N428-T430 VanDerWaalsContact C-N 3.25Å; N428-T430 PolarHBondContact O-N 3.42Å
431I77.3Confident81.9Confident9 Ų963.8 Ų63.85%0.04636%0.358CS..SBendtrans-118100.9175.3-60174.1000107.9M392 A396 L422 L425 G429 A434 F445M392-I431 HydrophobicContact CB-CD1 4.19Å; M392-I431 HydrophobicContact CG-CD1 3.37Å; A396-I431 HydrophobicContact CB-CD1 4.32Å; A396-I431 HydrophobicContact CB-CG1 4.34Å; A396-I431 HydrophobicContact CB-CG2 3.89Å; L422-I431 HydrophobicContact CD1-CD1 4.08Å; L425-I431 HydrophobicContact CB-CD1 3.98Å; L425-I431 HydrophobicContact CB-CG1 4.28Å; L425-I431 HydrophobicContact CD1-CD1 4.01Å; L425-I431 PolarHBondContact O-N 2.89Å; G429-I431 VanDerWaalsContact C-N 3.3Å; G429-I431 PolarHBondContact O-N 2.89Å; I431-A434 HydrophobicContact CG2-CB 3.76Å; I431-F445 HydrophobicContact CG2-CD1 4.01Å; I431-F445 HydrophobicContact CG2-CE1 4.26Å
432T73.7Confident82Confident116 Ų11664.6 Ų64.671%0.71236%0.364SS*.  trans-84.6133.3-179.855.30000111.2
433G72Confident81.9Confident37 Ų3764.6 Ų64.638%0.38136%0.364SS..SBendtrans85.52.7169.100000116.1
434A80.3Confident81.8Confident12 Ų1268.4 Ų68.410%0.09937%0.374CS..  trans-71.3130.7175.900000111.7I426 I431 V443 R444 F445I426-A434 HydrophobicContact CD1-CB 3.82Å; I426-A434 HydrophobicContact CG1-CB 4.01Å; I431-A434 HydrophobicContact CG2-CB 3.76Å; A434-V443 HydrophobicContact CB-CG1 4.47Å; A434-R444 CarbonylContact C-O 3.6Å; A434-R444 VanDerWaalsContact CA-O 3.27Å; A434-R444 WeakPolarHBondContact CA-O 3.39Å; A434-F445 HydrophobicContact CB-CD1 3.81Å; A434-F445 HydrophobicContact CB-CE1 4.27Å
435K80Confident81.5Confident119 Ų11964 Ų6452%0.51736%0.357SS..EExtended strand (participates in β ladder)trans-116.3127.5175.5-65.1-179.8-176.4174.50109.4R444 D448K435-R444 PolarHBondContact N-O 3.43Å; K435-R444 PolarHBondContact O-N 2.82Å; K435-D448 IonicContact NZ-OD2 2.61Å; K435-D448 PolarHBondContact NZ-OD2 3.33Å
436I83.4Confident80.8Confident46 Ų4671 Ų7124%0.23639%0.388CS..EExtended strand (participates in β ladder)trans-95.7121.8177.3-55174.1000108.9L404 E419 L422 I426 R438 V443L404-I436 HydrophobicContact CD1-CG2 4.38Å; E419-I436 HydrophobicContact CG-CD1 4.38Å; L422-I436 HydrophobicContact CD2-CD1 3.7Å; L422-I436 HydrophobicContact CD2-CG1 3.85Å; L422-I436 HydrophobicContact CG-CD1 4.15Å; I426-I436 HydrophobicContact CD1-CD1 4.24Å; I426-I436 HydrophobicContact CD1-CG1 4.36Å; I436-R438 HydrophobicContact CG2-CG 4.15Å; I436-V443 HydrophobicContact CG1-CG2 4.39Å
437N84.8Confident79.8Confident78 Ų7872.4 Ų72.442%0.41740%0.402SS..EExtended strand (participates in β ladder)trans-97.494.7169.6-173.9-20000108.9P439 A440 V441 T442N437-P439 VanDerWaalsContact OD1-CD 3.3Å; N437-P439 WeakPolarHBondContact OD1-CD 3.46Å; N437-A440 HydrophobicContact CB-CB 4.25Å; N437-A440 CarbonylContact O-C 3.59Å; N437-A440 PolarHBondContact O-N 3.15Å; N437-A440 PolarHBondContact OD1-N 3.44Å; N437-V441 WeakPolarHBondContact O-CA 3.35Å; N437-V441 PolarHBondContact O-N 2.88Å; N437-T442 PolarHBondContact N-O 3.12Å; N437-T442 PolarHBondContact O-N 3.5Å; N437-T442 VanDerWaalsContact O-N 3.15Å
438R83.2Confident78.6Confident168 Ų16870.7 Ų70.763%0.63439%0.392SS*.THydrogen-bonded Turntrans-60.9-48.5-177.9-72.5-179.8169.6174.1-1.4113.5E419 I436 A440 V441E419-R438 IonicContact OE1-CZ 2.7Å; E419-R438 VanDerWaalsContact OE1-CZ 3.25Å; E419-R438 IonicContact OE1-NE 2.71Å; E419-R438 PolarHBondContact OE1-NE 3.47Å; E419-R438 IonicContact OE1-NH2 3.57Å; E419-R438 PolarHBondContact OE1-NH2 3.06Å; I436-R438 HydrophobicContact CG2-CG 4.15Å; R438-A440 VanDerWaalsContact C-N 3.29Å; R438-A440 PolarHBondContact O-N 3.5Å; R438-V441 PolarHBondContact O-N 3.45Å; R438-V441 VanDerWaalsContact O-N 3.14Å
439P80.5Confident77.4Confident126 Ų12668.9 Ų68.982%0.81839%0.386SS*.THydrogen-bonded Turntrans-58.5-38176.7-26.233.2000114N437N437-P439 VanDerWaalsContact OD1-CD 3.3Å; N437-P439 WeakPolarHBondContact OD1-CD 3.46Å
440A82.2Confident76.3Confident54 Ų5473.5 Ų73.545%0.44640%0.397SS..THydrogen-bonded Turntrans-89.5-3.6179.600000113.6N437 R438 T442N437-A440 HydrophobicContact CB-CB 4.25Å; N437-A440 CarbonylContact O-C 3.59Å; N437-A440 PolarHBondContact O-N 3.15Å; N437-A440 PolarHBondContact OD1-N 3.44Å; R438-A440 VanDerWaalsContact C-N 3.29Å; R438-A440 PolarHBondContact O-N 3.5Å; A440-T442 WeakPolarHBondContact O-CG2 3.49Å; A440-T442 PolarHBondContact O-N 3.41Å
441V86.4Confident75.7Confident44 Ų4477.8 Ų77.827%0.26742%0.418SS..THydrogen-bonded Turntrans52.139.8-178.4-168.20000111.8S403 L404 N437 R438S403-V441 WeakPolarHBondContact CA-O 3.36Å; L404-V441 HydrophobicContact CB-CG1 3.73Å; L404-V441 HydrophobicContact CD1-CG1 4.03Å; L404-V441 HydrophobicContact CG-CG1 4.34Å; L404-V441 PolarHBondContact N-O 3.39Å; N437-V441 WeakPolarHBondContact O-CA 3.35Å; N437-V441 PolarHBondContact O-N 2.88Å; R438-V441 PolarHBondContact O-N 3.45Å; R438-V441 VanDerWaalsContact O-N 3.14Å
442T86.9Confident75.3Confident26 Ų2684.2 Ų84.216%0.1645%0.448CS..EExtended strand (participates in β ladder)trans-129.2145.4-177.6480000112.2I402 N437 A440I402-T442 WeakPolarHBondContact O-CA 3.09Å; N437-T442 PolarHBondContact N-O 3.12Å; N437-T442 PolarHBondContact O-N 3.5Å; N437-T442 VanDerWaalsContact O-N 3.15Å; A440-T442 WeakPolarHBondContact O-CG2 3.49Å; A440-T442 PolarHBondContact O-N 3.41Å
443V84.5Confident75.3Confident0 Ų083.8 Ų83.80%044%0.438CS..EExtended strand (participates in β ladder)trans-113128.4176.8-175.80000108.2Q401 I402 L404 M407 L422 A434 I436 F445Q401-V443 CarbonylContact C-O 3.58Å; Q401-V443 VanDerWaalsContact CA-O 3.26Å; Q401-V443 WeakPolarHBondContact CA-O 3.12Å; I402-V443 HydrophobicContact CG2-CB 4.26Å; I402-V443 PolarHBondContact N-O 2.9Å; I402-V443 PolarHBondContact O-N 3.3Å; L404-V443 HydrophobicContact CD2-CG2 3.4Å; L404-V443 VanDerWaalsContact CD2-CG2 3.4Å; L404-V443 HydrophobicContact CG-CG2 3.84Å; M407-V443 HydrophobicContact SD-CG2 4.07Å; L422-V443 HydrophobicContact CD2-CB 4.31Å; L422-V443 HydrophobicContact CD2-CG1 3.75Å; L422-V443 HydrophobicContact CD2-CG2 3.57Å; A434-V443 HydrophobicContact CB-CG1 4.47Å; I436-V443 HydrophobicContact CG1-CG2 4.39Å; V443-F445 HydrophobicContact CB-CE2 4.45Å; V443-F445 HydrophobicContact CB-CZ 4.38Å; V443-F445 HydrophobicContact CG1-CD1 4.31Å; V443-F445 HydrophobicContact CG1-CD2 4.5Å; V443-F445 HydrophobicContact CG1-CE1 3.86Å; V443-F445 HydrophobicContact CG1-CE2 4.08Å; V443-F445 HydrophobicContact CG1-CZ 3.74Å
444R83.4Confident75.4Confident115 Ų11585.1 Ų85.143%0.43444%0.438SS..EExtended strand (participates in β ladder)trans-107.9123.6172.8-171.2-175.5-68.7175.8-0.4108.6A434 K435 D448A434-R444 CarbonylContact C-O 3.6Å; A434-R444 VanDerWaalsContact CA-O 3.27Å; A434-R444 WeakPolarHBondContact CA-O 3.39Å; K435-R444 PolarHBondContact N-O 3.43Å; K435-R444 PolarHBondContact O-N 2.82Å; R444-D448 IonicContact NH1-OD1 3.49Å
445F80.9Confident75.4Confident13 Ų1388.7 Ų88.76%0.05746%0.455CS..  trans-94.7-24.3-177.5-65.2-77.8000113.7I395 A396 Y399 S400 I402 M407 L422 I431 A434 V443 S447I395-F445 HydrophobicContact CG2-CE2 3.7Å; I395-F445 HydrophobicContact CG2-CZ 3.77Å; A396-F445 HydrophobicContact CB-CD1 3.46Å; A396-F445 VanDerWaalsContact CB-CD1 3.46Å; A396-F445 HydrophobicContact CB-CE1 3.68Å; A396-F445 HydrophobicContact CB-CG 4.08Å; A396-F445 HydrophobicContact CB-CZ 4.44Å; Y399-F445 VanDerWaalsContact O-CD2 3.29Å; Y399-F445 WeakPolarHBondContact O-CD2 3.47Å; S400-F445 PolarHBondContact O-N 2.89Å; I402-F445 HydrophobicContact CG2-CE2 3.63Å; I402-F445 HydrophobicContact CG2-CZ 4.22Å; M407-F445 HydrophobicContact CE-CE1 4.5Å; M407-F445 HydrophobicContact CE-CZ 3.83Å; M407-F445 HydrophobicContact SD-CZ 4.46Å; L422-F445 HydrophobicContact CD1-CE1 4.29Å; I431-F445 HydrophobicContact CG2-CD1 4.01Å; I431-F445 HydrophobicContact CG2-CE1 4.26Å; A434-F445 HydrophobicContact CB-CD1 3.81Å; A434-F445 HydrophobicContact CB-CE1 4.27Å; V443-F445 HydrophobicContact CB-CE2 4.45Å; V443-F445 HydrophobicContact CB-CZ 4.38Å; V443-F445 HydrophobicContact CG1-CD1 4.31Å; V443-F445 HydrophobicContact CG1-CD2 4.5Å; V443-F445 HydrophobicContact CG1-CE1 3.86Å; V443-F445 HydrophobicContact CG1-CE2 4.08Å; V443-F445 HydrophobicContact CG1-CZ 3.74Å; F445-S447 PolarHBondContact O-N 3.02Å
446K70.9Confident75.6Confident146 Ų14688.1 Ų88.164%0.63546%0.457SS*.SBendtrans-77.4124.6175.1-71-172.8175.2-176.10109.9
447S62Low75.5Confident76 Ų7689.4 Ų89.453%0.53147%0.465SS..  trans-59.1143.8160.240.80000108.9F445 T449F445-S447 PolarHBondContact O-N 3.02Å; S447-T449 VanDerWaalsContact C-N 3.31Å; S447-T449 PolarHBondContact O-N 2.9Å
448D59Low75.6Confident100 Ų10093.5 Ų93.554%0.53547%0.474SS..  trans-58.8102.6170.9-58.2-55.5000106.1K435 R444 M450K435-D448 IonicContact NZ-OD2 2.61Å; K435-D448 PolarHBondContact NZ-OD2 3.33Å; R444-D448 IonicContact NH1-OD1 3.49Å; D448-M450 PolarHBondContact O-N 3.25Å
449T56.4Low75.8Confident71 Ų7189.2 Ų89.244%0.43647%0.466SS..  trans-57.3136168.516.10000105.3S447 L451 T454S447-T449 VanDerWaalsContact C-N 3.31Å; S447-T449 PolarHBondContact O-N 2.9Å; T449-L451 PolarHBondContact O-N 3.41Å; T449-L451 VanDerWaalsContact O-N 3.17Å; T449-T454 WeakPolarHBondContact CB-OG1 3.23Å; T449-T454 PolarHBondContact OG1-OG1 3.41Å
450M57Low76.2Confident139 Ų13986 Ų8669%0.68545%0.447SS*.  trans-46.6131.7173.6-90.2-77.9169.700107.3D448 E452 E453 T454D448-M450 PolarHBondContact O-N 3.25Å; M450-E452 CarbonylContact O-C 3.59Å; M450-E452 PolarHBondContact O-N 3.29Å; M450-E453 HydrophobicContact CB-CG 4.41Å; M450-E453 PolarHBondContact O-N 3.27Å; M450-T454 PolarHBondContact O-N 3.02Å; M450-T454 VanDerWaalsContact O-N 3.16Å; M450-T454 PolarHBondContact O-OG1 2.94Å
451L64.7Low76.5Confident139 Ų13990.7 Ų90.773%0.72846%0.455SS*.Hα-helixtrans-51.2-34.7-171.4-152.197.3000110.9T449 T454 I455T449-L451 PolarHBondContact O-N 3.41Å; T449-L451 VanDerWaalsContact O-N 3.17Å; L451-T454 WeakPolarHBondContact O-CB 3.48Å; L451-T454 PolarHBondContact O-N 3.1Å; L451-I455 HydrophobicContact CD2-CD1 4.13Å; L451-I455 HydrophobicContact CG-CD1 4.46Å; L451-I455 VanDerWaalsContact O-CG1 3.27Å; L451-I455 WeakPolarHBondContact O-CG1 3.36Å; L451-I455 PolarHBondContact O-N 2.89Å
452E69.5Low76.7Confident144 Ų14491.4 Ų91.467%0.67346%0.457SS*.Hα-helixtrans-57.7-53.1173.1-64.8178.6171.100112.9M450 T454 I455 D456M450-E452 CarbonylContact O-C 3.59Å; M450-E452 PolarHBondContact O-N 3.29Å; E452-T454 PolarHBondContact O-N 2.89Å; E452-I455 PolarHBondContact O-N 3.44Å; E452-I455 VanDerWaalsContact O-N 3.12Å; E452-D456 PolarHBondContact O-N 3.41Å
453E73.5Confident76.8Confident107 Ų10793.1 Ų93.150%0.547%0.473SS..Hα-helixtrans-60.9-34.7176.9-69.8-175.4162.700112.1M450 N457M450-E453 HydrophobicContact CB-CG 4.41Å; M450-E453 PolarHBondContact O-N 3.27Å; E453-N457 WeakPolarHBondContact O-CB 3.35Å; E453-N457 PolarHBondContact O-N 3.08Å; E453-N457 PolarHBondContact O-ND2 3.38Å
454T73.8Confident77.2Confident64 Ų6497.3 Ų97.339%0.39350%0.495SS..Hα-helixtrans-67.2-41.8177.9-49.10000110.7T449 M450 L451 E452 W458T449-T454 WeakPolarHBondContact CB-OG1 3.23Å; T449-T454 PolarHBondContact OG1-OG1 3.41Å; M450-T454 PolarHBondContact O-N 3.02Å; M450-T454 VanDerWaalsContact O-N 3.16Å; M450-T454 PolarHBondContact O-OG1 2.94Å; L451-T454 WeakPolarHBondContact O-CB 3.48Å; L451-T454 PolarHBondContact O-N 3.1Å; E452-T454 PolarHBondContact O-N 2.89Å; T454-W458 WeakPolarHBondContact O-CB 3.22Å; T454-W458 PolarHBondContact O-N 3.27Å
455I80Confident77.6Confident88 Ų8896.9 Ų96.945%0.45150%0.501SS..Hα-helixtrans-67.1-45176.5-68.2165.5000110.1L451 E452 N457 W458 V459L451-I455 HydrophobicContact CD2-CD1 4.13Å; L451-I455 HydrophobicContact CG-CD1 4.46Å; L451-I455 VanDerWaalsContact O-CG1 3.27Å; L451-I455 WeakPolarHBondContact O-CG1 3.36Å; L451-I455 PolarHBondContact O-N 2.89Å; E452-I455 PolarHBondContact O-N 3.44Å; E452-I455 VanDerWaalsContact O-N 3.12Å; I455-N457 PolarHBondContact O-N 3.3Å; I455-W458 CarbonylContact O-C 3.13Å; I455-W458 WeakPolarHBondContact O-CB 3.22Å; I455-W458 PolarHBondContact O-N 3.44Å; I455-W458 VanDerWaalsContact O-N 3.11Å; I455-V459 HydrophobicContact CG2-CG2 4.31Å; I455-V459 WeakPolarHBondContact O-CG2 3.48Å; I455-V459 PolarHBondContact O-N 2.72Å
456D84.1Confident78.1Confident107 Ų107101.6 Ų101.657%0.57253%0.525SS*.Hα-helixtrans-62.8-42178.1-73.4-19.3000112E452 V459 S460E452-D456 PolarHBondContact O-N 3.41Å; D456-V459 PolarHBondContact O-N 3.34Å; D456-S460 WeakPolarHBondContact O-CB 3.25Å; D456-S460 PolarHBondContact O-N 2.78Å; D456-S460 PolarHBondContact O-OG 3.49Å; D456-S460 VanDerWaalsContact O-OG 3.09Å
457N82.9Confident79.2Confident72 Ų7297.6 Ų97.639%0.38552%0.515SS..Hα-helixtrans-61.5-44.7171.8-78.6-46000111E453 I455 V459 S460 Y461E453-N457 WeakPolarHBondContact O-CB 3.35Å; E453-N457 PolarHBondContact O-N 3.08Å; E453-N457 PolarHBondContact O-ND2 3.38Å; I455-N457 PolarHBondContact O-N 3.3Å; N457-V459 PolarHBondContact O-N 3.04Å; N457-S460 WeakPolarHBondContact CA-OG 3.33Å; N457-S460 PolarHBondContact O-N 2.84Å; N457-S460 PolarHBondContact O-OG 3.01Å; N457-Y461 HydrophobicContact CB-CD2 4.3Å; N457-Y461 HydrophobicContact CB-CE2 3.95Å; N457-Y461 WeakPolarHBondContact O-CB 3.38Å; N457-Y461 WeakPolarHBondContact O-CD2 3.28Å; N457-Y461 VanDerWaalsContact O-CG 3.25Å; N457-Y461 PolarHBondContact O-N 3.44Å
458W86.2Confident80.6Confident165 Ų165100.5 Ų100.563%0.62552%0.518SS*.Hα-helixtrans-63-43.3177.4-178.587.3000112.3T454 I455 Y461 N462T454-W458 WeakPolarHBondContact O-CB 3.22Å; T454-W458 PolarHBondContact O-N 3.27Å; I455-W458 CarbonylContact O-C 3.13Å; I455-W458 WeakPolarHBondContact O-CB 3.22Å; I455-W458 PolarHBondContact O-N 3.44Å; I455-W458 VanDerWaalsContact O-N 3.11Å; W458-Y461 PolarHBondContact O-N 3.26Å; W458-N462 WeakPolarHBondContact CZ2-ND2 3.16Å; W458-N462 PolarHBondContact NE1-ND2 3.34Å; W458-N462 WeakPolarHBondContact O-CB 3.49Å; W458-N462 PolarHBondContact O-N 2.85Å; W458-N462 PolarHBondContact O-ND2 2.88Å
459V87.9Confident82.3Confident77 Ų77101.3 Ų101.347%0.46752%0.52SS..Hα-helixtrans-62-46.5176.4171.50000110.5I455 D456 N457 N462 A463I455-V459 HydrophobicContact CG2-CG2 4.31Å; I455-V459 WeakPolarHBondContact O-CG2 3.48Å; I455-V459 PolarHBondContact O-N 2.72Å; D456-V459 PolarHBondContact O-N 3.34Å; N457-V459 PolarHBondContact O-N 3.04Å; V459-N462 PolarHBondContact O-N 2.89Å; V459-A463 WeakPolarHBondContact O-CB 3.42Å; V459-A463 PolarHBondContact O-N 2.99Å
460S88Confident84Confident59 Ų59101.7 Ų101.741%0.41353%0.526SS..Hα-helixtrans-65.7-40.3178.464.70000112.8D456 N457 A463 L464D456-S460 WeakPolarHBondContact O-CB 3.25Å; D456-S460 PolarHBondContact O-N 2.78Å; D456-S460 PolarHBondContact O-OG 3.49Å; D456-S460 VanDerWaalsContact O-OG 3.09Å; N457-S460 WeakPolarHBondContact CA-OG 3.33Å; N457-S460 PolarHBondContact O-N 2.84Å; N457-S460 PolarHBondContact O-OG 3.01Å; S460-A463 PolarHBondContact O-N 3.48Å; S460-L464 WeakPolarHBondContact O-CB 3.41Å; S460-L464 PolarHBondContact O-N 3.44Å
461Y87.9Confident85.7Confident153 Ų153102.1 Ų102.160%0.652%0.524SS*.Hα-helixtrans-64.8-40.7174.7-71.6-47.6000112.2N457 W458 L464 L465N457-Y461 HydrophobicContact CB-CD2 4.3Å; N457-Y461 HydrophobicContact CB-CE2 3.95Å; N457-Y461 WeakPolarHBondContact O-CB 3.38Å; N457-Y461 WeakPolarHBondContact O-CD2 3.28Å; N457-Y461 VanDerWaalsContact O-CG 3.25Å; N457-Y461 PolarHBondContact O-N 3.44Å; W458-Y461 PolarHBondContact O-N 3.26Å; Y461-L464 PolarHBondContact O-N 3.1Å; Y461-L465 WeakPolarHBondContact O-CB 3.37Å; Y461-L465 PolarHBondContact O-N 3.02Å
462N90.9Very high87Confident59 Ų5997.6 Ų97.632%0.31651%0.507SS..Hα-helixtrans-66.8-41.7175.1-82.6-80.9000111.8W458 V459 L464 L465 M466W458-N462 WeakPolarHBondContact CZ2-ND2 3.16Å; W458-N462 PolarHBondContact NE1-ND2 3.34Å; W458-N462 WeakPolarHBondContact O-CB 3.49Å; W458-N462 PolarHBondContact O-N 2.85Å; W458-N462 PolarHBondContact O-ND2 2.88Å; V459-N462 PolarHBondContact O-N 2.89Å; N462-L464 VanDerWaalsContact C-N 3.33Å; N462-L464 PolarHBondContact O-N 3.31Å; N462-L465 PolarHBondContact O-N 3.41Å; N462-M466 WeakPolarHBondContact O-CB 3.49Å; N462-M466 VanDerWaalsContact O-CG 3.28Å; N462-M466 WeakPolarHBondContact O-CG 3.48Å; N462-M466 PolarHBondContact O-N 3.35Å
463A90.5Very high88.2Confident61 Ų6193.5 Ų93.550%0.50450%0.497SS..Hα-helixtrans-60.9-42.917400000111.5V459 S460 M466 S467V459-A463 WeakPolarHBondContact O-CB 3.42Å; V459-A463 PolarHBondContact O-N 2.99Å; S460-A463 PolarHBondContact O-N 3.48Å; A463-M466 PolarHBondContact O-N 3.29Å; A463-S467 WeakPolarHBondContact O-CB 3.26Å; A463-S467 PolarHBondContact O-N 3.28Å
464L92.2Very high89.1Confident88 Ų8894.6 Ų94.646%0.46150%0.502SS..Hα-helixtrans-63.1-45.7175.5-176.566.3000111.4S460 Y461 N462 S467 K468S460-L464 WeakPolarHBondContact O-CB 3.41Å; S460-L464 PolarHBondContact O-N 3.44Å; Y461-L464 PolarHBondContact O-N 3.1Å; N462-L464 VanDerWaalsContact C-N 3.33Å; N462-L464 PolarHBondContact O-N 3.31Å; L464-S467 PolarHBondContact O-N 3.37Å; L464-S467 PolarHBondContact O-OG 2.86Å; L464-K468 WeakPolarHBondContact O-CG 3.3Å; L464-K468 PolarHBondContact O-N 3.28Å
465L91.8Very high90Very high107 Ų10796.3 Ų96.356%0.5651%0.508SS*.Hα-helixtrans-60.8-47.4177.1-177.467.4000111.2Y461 N462 S467 K468 M469Y461-L465 WeakPolarHBondContact O-CB 3.37Å; Y461-L465 PolarHBondContact O-N 3.02Å; N462-L465 PolarHBondContact O-N 3.41Å; L465-S467 VanDerWaalsContact C-N 3.32Å; L465-S467 PolarHBondContact O-N 3.47Å; L465-K468 PolarHBondContact O-N 3.45Å; L465-M469 WeakPolarHBondContact O-CB 3.43Å; L465-M469 PolarHBondContact O-N 3.46Å
466M91.9Very high90.6Very high111 Ų11197 Ų9755%0.54751%0.512SS..Hα-helixtrans-62.5-38.1176.4-72.1-59.4-6800111.9N462 A463 M469 S470N462-M466 WeakPolarHBondContact O-CB 3.49Å; N462-M466 VanDerWaalsContact O-CG 3.28Å; N462-M466 WeakPolarHBondContact O-CG 3.48Å; N462-M466 PolarHBondContact O-N 3.35Å; A463-M466 PolarHBondContact O-N 3.29Å; M466-M469 HydrophobicContact CE-CE 4.28Å; M466-M469 PolarHBondContact O-N 2.97Å; M466-M469 HydrophobicContact SD-CE 3.96Å; M466-S470 VanDerWaalsContact O-CB 3.23Å; M466-S470 WeakPolarHBondContact O-CB 3.35Å; M466-S470 PolarHBondContact O-N 2.7Å
467S92.5Very high90.9Very high63 Ų6394.3 Ų94.344%0.44150%0.501SS..Hα-helixtrans-64.5-42.4174.183.80000111.8A463 L464 L465 S470 K471A463-S467 WeakPolarHBondContact O-CB 3.26Å; A463-S467 PolarHBondContact O-N 3.28Å; L464-S467 PolarHBondContact O-N 3.37Å; L464-S467 PolarHBondContact O-OG 2.86Å; L465-S467 VanDerWaalsContact C-N 3.32Å; L465-S467 PolarHBondContact O-N 3.47Å; S467-S470 PolarHBondContact O-N 3.38Å; S467-K471 VanDerWaalsContact O-CB 3.28Å; S467-K471 WeakPolarHBondContact O-CB 3.03Å; S467-K471 PolarHBondContact O-N 3.35Å
468K92.7Very high91.3Very high136 Ų13696.6 Ų96.659%0.59151%0.508SS*.Hα-helixtrans-66.4-40.8176.7-75.6-173.9177.8-173.80111L464 L465 K471 A472L464-K468 WeakPolarHBondContact O-CG 3.3Å; L464-K468 PolarHBondContact O-N 3.28Å; L465-K468 PolarHBondContact O-N 3.45Å; K468-K471 PolarHBondContact O-N 3.1Å; K468-A472 WeakPolarHBondContact O-CB 3.29Å; K468-A472 PolarHBondContact O-N 3.46Å
469M94Very high91.4Very high118 Ų11894 Ų9458%0.58150%0.503SS*.Hα-helixtrans-68-42.7177.8-164.116785.900111.5L465 M466 A472 A473L465-M469 WeakPolarHBondContact O-CB 3.43Å; L465-M469 PolarHBondContact O-N 3.46Å; M466-M469 HydrophobicContact CE-CE 4.28Å; M466-M469 PolarHBondContact O-N 2.97Å; M466-M469 HydrophobicContact SD-CE 3.96Å; M469-A472 PolarHBondContact O-N 3.43Å; M469-A473 WeakPolarHBondContact O-CB 3.29Å; M469-A473 PolarHBondContact O-N 2.57Å
470S92.3Very high91.4Very high79 Ų7995.5 Ų95.555%0.55251%0.505SS*.Hα-helixtrans-62.2-43173.2179.30000111.7M466 S467 A473 H474M466-S470 VanDerWaalsContact O-CB 3.23Å; M466-S470 WeakPolarHBondContact O-CB 3.35Å; M466-S470 PolarHBondContact O-N 2.7Å; S467-S470 PolarHBondContact O-N 3.38Å; S470-A473 PolarHBondContact O-N 3.25Å; S470-H474 WeakPolarHBondContact O-CB 3.5Å; S470-H474 PolarHBondContact O-N 2.99Å
471K92.9Very high91.3Very high148 Ų14898.3 Ų98.364%0.64351%0.512SS*.Hα-helixtrans-63.2-42.7174.9-169.6172.2-176.1175.90111.8S467 K468 H474 L475S467-K471 VanDerWaalsContact O-CB 3.28Å; S467-K471 WeakPolarHBondContact O-CB 3.03Å; S467-K471 PolarHBondContact O-N 3.35Å; K468-K471 PolarHBondContact O-N 3.1Å; K471-H474 PolarHBondContact O-N 2.96Å; K471-L475 HydrophobicContact CG-CD1 4.4Å; K471-L475 WeakPolarHBondContact O-CB 3.39Å; K471-L475 VanDerWaalsContact O-CG 3.25Å; K471-L475 WeakPolarHBondContact O-CG 3.45Å; K471-L475 PolarHBondContact O-N 3.2Å
472A92.2Very high91.1Very high44 Ų4494.2 Ų94.236%0.36450%0.501SS..Hα-helixtrans-62.2-45.7174.300000111.3K468 M469 H474 L475 I476K468-A472 WeakPolarHBondContact O-CB 3.29Å; K468-A472 PolarHBondContact O-N 3.46Å; M469-A472 PolarHBondContact O-N 3.43Å; A472-H474 PolarHBondContact O-N 2.85Å; A472-L475 PolarHBondContact O-N 3.25Å; A472-I476 WeakPolarHBondContact O-CD1 3.17Å; A472-I476 VanDerWaalsContact O-CG1 3.24Å; A472-I476 WeakPolarHBondContact O-CG1 3.47Å; A472-I476 PolarHBondContact O-N 3.48Å
473A93.8Very high90.6Very high57 Ų5797.8 Ų97.847%0.47152%0.515SS..Hα-helixtrans-61.6-42.5176.700000112.4M469 S470 I476 S477M469-A473 WeakPolarHBondContact O-CB 3.29Å; M469-A473 PolarHBondContact O-N 2.57Å; S470-A473 PolarHBondContact O-N 3.25Å; A473-I476 PolarHBondContact O-N 3.39Å; A473-S477 WeakPolarHBondContact O-CB 3.27Å; A473-S477 PolarHBondContact O-N 2.99Å
474H92.1Very high90.1Very high131 Ų131101.2 Ų101.261%0.60652%0.521SS*.Hα-helixtrans-64.4-41.1174.9-177.9-73.5000111.8S470 K471 A472 I476 S477 K478S470-H474 WeakPolarHBondContact O-CB 3.5Å; S470-H474 PolarHBondContact O-N 2.99Å; K471-H474 PolarHBondContact O-N 2.96Å; A472-H474 PolarHBondContact O-N 2.85Å; H474-I476 VanDerWaalsContact C-N 3.35Å; H474-S477 PolarHBondContact O-N 2.88Å; H474-K478 VanDerWaalsContact O-CB 3.28Å; H474-K478 WeakPolarHBondContact O-CB 3.38Å; H474-K478 PolarHBondContact O-N 3.14Å
475L93.8Very high89.4Confident100 Ų100100.5 Ų100.552%0.52452%0.521SS..Hα-helixtrans-62.4-42.7175-73.6169.9000111.4K471 A472 K478 E479K471-L475 HydrophobicContact CG-CD1 4.4Å; K471-L475 WeakPolarHBondContact O-CB 3.39Å; K471-L475 VanDerWaalsContact O-CG 3.25Å; K471-L475 WeakPolarHBondContact O-CG 3.45Å; K471-L475 PolarHBondContact O-N 3.2Å; A472-L475 PolarHBondContact O-N 3.25Å; L475-K478 PolarHBondContact O-N 2.81Å; L475-E479 PolarHBondContact O-N 2.88Å
476I92.9Very high88.6Confident102 Ų102102 Ų10252%0.52352%0.523SS..Hα-helixtrans-63.4-46.1175.7-67163.1000110.8A472 A473 H474 K478 E479 Q480A472-I476 WeakPolarHBondContact O-CD1 3.17Å; A472-I476 VanDerWaalsContact O-CG1 3.24Å; A472-I476 WeakPolarHBondContact O-CG1 3.47Å; A472-I476 PolarHBondContact O-N 3.48Å; A473-I476 PolarHBondContact O-N 3.39Å; H474-I476 VanDerWaalsContact C-N 3.35Å; I476-K478 PolarHBondContact O-N 2.84Å; I476-E479 PolarHBondContact O-N 3.44Å; I476-Q480 WeakPolarHBondContact O-CG 3.3Å; I476-Q480 PolarHBondContact O-N 3.38Å
477S90.8Very high87.6Confident50 Ų5099.2 Ų99.235%0.3552%0.517SS..Hα-helixtrans-64.6-39.4178.9-178.40000112A473 H474 Q480 M481A473-S477 WeakPolarHBondContact O-CB 3.27Å; A473-S477 PolarHBondContact O-N 2.99Å; H474-S477 PolarHBondContact O-N 2.88Å; S477-Q480 PolarHBondContact O-N 3.08Å; S477-M481 WeakPolarHBondContact O-CG 3.31Å; S477-M481 PolarHBondContact O-N 3.39Å
478K90.1Very high86.4Confident120 Ų120100.9 Ų100.952%0.52253%0.525SS..Hα-helixtrans-61.5-44.4174.2-174.4-178.5177.8-175.60111.6H474 L475 I476 M481 L482H474-K478 VanDerWaalsContact O-CB 3.28Å; H474-K478 WeakPolarHBondContact O-CB 3.38Å; H474-K478 PolarHBondContact O-N 3.14Å; L475-K478 PolarHBondContact O-N 2.81Å; I476-K478 PolarHBondContact O-N 2.84Å; K478-M481 PolarHBondContact O-N 3.37Å; K478-L482 HydrophobicContact CG-CD1 4.45Å; K478-L482 WeakPolarHBondContact O-CG 3.39Å; K478-L482 PolarHBondContact O-N 3.47Å
479E89Confident84.9Confident112 Ų112100 Ų10052%0.52353%0.531SS..Hα-helixtrans-61.4-43.3174.3-81.8-62.9150.900112L475 I476 M481 L482 Q483L475-E479 PolarHBondContact O-N 2.88Å; I476-E479 PolarHBondContact O-N 3.44Å; E479-M481 PolarHBondContact O-N 3.45Å; E479-L482 PolarHBondContact O-N 3.45Å; E479-Q483 WeakPolarHBondContact O-CG 3.44Å; E479-Q483 PolarHBondContact O-N 3.45Å
480Q87.6Confident83.1Confident108 Ų10898.4 Ų98.451%0.50553%0.532SS..Hα-helixtrans-61.3-42.5175.8-74.4177.5-18.800112.4I476 S477 Q483 Q484I476-Q480 WeakPolarHBondContact O-CG 3.3Å; I476-Q480 PolarHBondContact O-N 3.38Å; S477-Q480 PolarHBondContact O-N 3.08Å; Q480-Q483 PolarHBondContact O-N 2.98Å; Q480-Q484 WeakPolarHBondContact O-CG 3.42Å; Q480-Q484 PolarHBondContact O-N 2.92Å
481M85.7Confident81.2Confident117 Ų11798.8 Ų98.858%0.57653%0.531SS*.Hα-helixtrans-65.1-41.9175.5-71.3-161.3-141.700111.9S477 K478 E479 Q483 Q484 T485S477-M481 WeakPolarHBondContact O-CG 3.31Å; S477-M481 PolarHBondContact O-N 3.39Å; K478-M481 PolarHBondContact O-N 3.37Å; E479-M481 PolarHBondContact O-N 3.45Å; M481-Q483 VanDerWaalsContact C-N 3.34Å; M481-Q483 PolarHBondContact O-N 3.39Å; M481-Q484 PolarHBondContact O-N 3.23Å; M481-T485 WeakPolarHBondContact O-CG2 3.16Å; M481-T485 PolarHBondContact O-N 3.32Å; M481-T485 PolarHBondContact O-OG1 3.34Å
482L83.8Confident79.3Confident68 Ų6896.9 Ų96.936%0.35653%0.533SS..Hα-helixtrans-58-49175-75.3171.1000110.3K478 E479 Q484 T485 F486K478-L482 HydrophobicContact CG-CD1 4.45Å; K478-L482 WeakPolarHBondContact O-CG 3.39Å; K478-L482 PolarHBondContact O-N 3.47Å; E479-L482 PolarHBondContact O-N 3.45Å; L482-Q484 VanDerWaalsContact C-N 3.33Å; L482-Q484 PolarHBondContact O-N 3.21Å; L482-T485 WeakPolarHBondContact CA-OG1 3.22Å; L482-T485 PolarHBondContact O-N 3.49Å; L482-T485 VanDerWaalsContact O-N 3.14Å; L482-T485 PolarHBondContact O-OG1 3.44Å; L482-F486 HydrophobicContact CB-CD2 4.39Å; L482-F486 HydrophobicContact CB-CE2 4.25Å; L482-F486 HydrophobicContact CD2-CE2 4.47Å; L482-F486 WeakPolarHBondContact O-CD2 3.3Å; L482-F486 PolarHBondContact O-N 3.48Å
483Q79.8Confident77.5Confident133 Ų133106.6 Ų106.662%0.62156%0.561SS**Hα-helixtrans-58.1-41.4176.6-72.7-176.6-0.500113E479 Q480 M481 F486 A487E479-Q483 WeakPolarHBondContact O-CG 3.44Å; E479-Q483 PolarHBondContact O-N 3.45Å; Q480-Q483 PolarHBondContact O-N 2.98Å; M481-Q483 VanDerWaalsContact C-N 3.34Å; M481-Q483 PolarHBondContact O-N 3.39Å; Q483-F486 PolarHBondContact O-N 2.99Å; Q483-A487 WeakPolarHBondContact O-CB 3.42Å; Q483-A487 PolarHBondContact O-N 3.13Å
484Q80.5Confident75.2Confident133 Ų133114.7 Ų114.762%0.62160%0.596SS**Hα-helixtrans-66.5-39.3175.4-73.4179.4-2.900112.7Q480 M481 L482 A487 T488Q480-Q484 WeakPolarHBondContact O-CG 3.42Å; Q480-Q484 PolarHBondContact O-N 2.92Å; M481-Q484 PolarHBondContact O-N 3.23Å; L482-Q484 VanDerWaalsContact C-N 3.33Å; L482-Q484 PolarHBondContact O-N 3.21Å; Q484-A487 PolarHBondContact O-N 2.9Å; Q484-T488 WeakPolarHBondContact O-CG2 3.37Å; Q484-T488 PolarHBondContact O-N 3.07Å; Q484-T488 PolarHBondContact O-OG1 3.14Å
485T78.1Confident74.3Confident74 Ų74113.9 Ų113.945%0.45460%0.595SS.*Hα-helixtrans-67.2-37.2175.654.90000112.6M481 L482 T488 T489M481-T485 WeakPolarHBondContact O-CG2 3.16Å; M481-T485 PolarHBondContact O-N 3.32Å; M481-T485 PolarHBondContact O-OG1 3.34Å; L482-T485 WeakPolarHBondContact CA-OG1 3.22Å; L482-T485 PolarHBondContact O-N 3.49Å; L482-T485 VanDerWaalsContact O-N 3.14Å; L482-T485 PolarHBondContact O-OG1 3.44Å; T485-T488 WeakPolarHBondContact CA-OG1 3.38Å; T485-T488 PolarHBondContact O-N 3.28Å; T485-T488 PolarHBondContact O-OG1 3.43Å; T485-T488 VanDerWaalsContact O-OG1 3.07Å; T485-T489 PolarHBondContact O-N 3.39Å; T485-T489 PolarHBondContact O-OG1 3.29Å
486F73.9Confident73.3Confident139 Ų139114.6 Ų114.661%0.6160%0.599SS**Hα-helixtrans-67.3-37.2172.5-75.5-64.3000111.8L482 Q483 T488 S490L482-F486 HydrophobicContact CB-CD2 4.39Å; L482-F486 HydrophobicContact CB-CE2 4.25Å; L482-F486 HydrophobicContact CD2-CE2 4.47Å; L482-F486 WeakPolarHBondContact O-CD2 3.3Å; L482-F486 PolarHBondContact O-N 3.48Å; Q483-F486 PolarHBondContact O-N 2.99Å; F486-T488 VanDerWaalsContact C-N 3.34Å; F486-S490 VanDerWaalsContact O-CB 3.31Å; F486-S490 WeakPolarHBondContact O-CB 3.48Å; F486-S490 PolarHBondContact O-N 2.96Å; F486-S490 VanDerWaalsContact O-N 3.08Å; F486-S490 PolarHBondContact O-OG 3.39Å
487A70.8Confident72.2Confident52 Ų52115.3 Ų115.343%0.4360%0.603SS.*Hα-helixtrans-66.9-33.8175.200000112.9Q483 Q484 S490 T491Q483-A487 WeakPolarHBondContact O-CB 3.42Å; Q483-A487 PolarHBondContact O-N 3.13Å; Q484-A487 PolarHBondContact O-N 2.9Å; A487-S490 WeakPolarHBondContact CA-OG 3.37Å; A487-S490 PolarHBondContact O-OG 3.23Å; A487-T491 PolarHBondContact O-N 3.03Å; A487-T491 PolarHBondContact O-OG1 3.2Å
488T67.1Low71.1Confident97 Ų97119.1 Ų119.160%0.59562%0.618SS**Hα-helixtrans-83.7-27.4179.7460000113.9Q484 T485 F486 T491Q484-T488 WeakPolarHBondContact O-CG2 3.37Å; Q484-T488 PolarHBondContact O-N 3.07Å; Q484-T488 PolarHBondContact O-OG1 3.14Å; T485-T488 WeakPolarHBondContact CA-OG1 3.38Å; T485-T488 PolarHBondContact O-N 3.28Å; T485-T488 PolarHBondContact O-OG1 3.43Å; T485-T488 VanDerWaalsContact O-OG1 3.07Å; F486-T488 VanDerWaalsContact C-N 3.34Å; T488-T491 WeakPolarHBondContact CA-OG1 3.35Å; T488-T491 PolarHBondContact O-OG1 3.39Å
489T60.8Low69.9Low118 Ų118119.1 Ų119.172%0.72462%0.624SS**Hα-helixtrans-79.7-25.7169.930.40000113.2T485T485-T489 PolarHBondContact O-N 3.39Å; T485-T489 PolarHBondContact O-OG1 3.29Å
490S57.4Low68.6Low85 Ų85119.5 Ų119.559%0.59463%0.631SS**SBendtrans-83.1-10.2175.556.20000114.2F486 A487 P492F486-S490 VanDerWaalsContact O-CB 3.31Å; F486-S490 WeakPolarHBondContact O-CB 3.48Å; F486-S490 PolarHBondContact O-N 2.96Å; F486-S490 VanDerWaalsContact O-N 3.08Å; F486-S490 PolarHBondContact O-OG 3.39Å; A487-S490 WeakPolarHBondContact CA-OG 3.37Å; A487-S490 PolarHBondContact O-OG 3.23Å; S490-P492 VanDerWaalsContact O-CD 3.31Å; S490-P492 WeakPolarHBondContact O-CD 3.47Å
491T53.2Low67.3Low87 Ų87120.4 Ų120.453%0.53464%0.64SS.*SBendtrans-83.4111.2168.822.10000108.8A487 T488 R493A487-T491 PolarHBondContact O-N 3.03Å; A487-T491 PolarHBondContact O-OG1 3.2Å; T488-T491 WeakPolarHBondContact CA-OG1 3.35Å; T488-T491 PolarHBondContact O-OG1 3.39Å; T491-R493 PolarHBondContact O-N 3.3Å
492P51.7Low65.9Low107 Ų107120.6 Ų120.670%0.69565%0.645SS**  trans-61.7127.2178.6-14.829000108.8S490 N494S490-P492 VanDerWaalsContact O-CD 3.31Å; S490-P492 WeakPolarHBondContact O-CD 3.47Å; P492-N494 PolarHBondContact O-N 3.44Å
493R54Low64.4Low249 Ų249125 Ų12594%0.9467%0.669SS**  trans-59.7106.3161.5-74.2180174.8169.2-2.1107T491T491-R493 PolarHBondContact O-N 3.3Å
494N45.2Very low63Low226 Ų226124.3 Ų124.3100%1.20967%0.673SS**  trans-73.50162-80.8-13.6000110.2P492P492-N494 PolarHBondContact O-N 3.44Å

Retrieved 494 of 494 residues in 2180.7 ms (Link to these results)

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