A0A5K4F3N1_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A5K4F3N1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 776 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
1M32.5Very low44.3Very low249 Ų249122.9 Ų122.9100%1.22765%0.651SS**  0107.90-74.1174.3168.100108.3
2K25.5Very low47.6Very low219 Ų219117.3 Ų117.395%0.95261%0.614SS**  trans-106.395.8170.1-82.5-177.1176.1178.20106.7
3D31.6Very low50.7Low148 Ų148108.6 Ų108.679%0.79157%0.568SS**  trans-154.5119.2165.1-157.96.2000103.7
4G30.3Very low53.5Low56 Ų56105.8 Ų105.858%0.57756%0.558SS**  59.5115.876.500000109.4
5S28.9Very low55.9Low102 Ų102102.9 Ų102.971%0.71355%0.546SS*.  trans90.7104.5175.1-33.90000115.9
6T36.1Very low58.1Low89 Ų89101.8 Ų101.855%0.54654%0.539SS..  165.815390.142.50000111.5V8T6-V8 PolarHBondContact O-N 3.29Å
7N50.6Low60.2Low88 Ų88104.1 Ų104.147%0.47154%0.543SS..  trans-59.446.5172.6-143.7-1.2000113.2F9 K10 K11N7-F9 PolarHBondContact O-N 3.3Å; N7-K10 PolarHBondContact O-N 2.53Å; N7-K10 WeakPolarHBondContact OD1-CB 3.47Å; N7-K10 WeakPolarHBondContact OD1-CD 3.03Å; N7-K10 WeakPolarHBondContact OD1-CG 3.44Å; N7-K11 PolarHBondContact O-N 3.33Å
8V52.7Low61.9Low79 Ų79103.9 Ų103.948%0.47954%0.537SS..Hα-helixtrans-54.4-43.1-173.1179.40000110.4T6 K10 K11 R12T6-V8 PolarHBondContact O-N 3.29Å; V8-K10 PolarHBondContact O-N 3.24Å; V8-K11 PolarHBondContact O-N 2.96Å; V8-R12 PolarHBondContact O-N 2.81Å; V8-R12 VanDerWaalsContact O-N 3.13Å
9F63.1Low63.3Low28 Ų28102.4 Ų102.412%0.12353%0.53CS..Hα-helixtrans-51.1-53.6175.5-177-83.3000112.4N7 K11 Y13 V15 L46 F84N7-F9 PolarHBondContact O-N 3.3Å; F9-K11 VanDerWaalsContact C-N 3.35Å; F9-K11 PolarHBondContact O-N 3.01Å; F9-Y13 PolarHBondContact O-N 3.34Å; F9-Y13 VanDerWaalsContact O-N 3.12Å; F9-V15 HydrophobicContact CE1-CG2 4.05Å; F9-V15 HydrophobicContact CZ-CG2 3.84Å; F9-L46 HydrophobicContact CD2-CD2 4.08Å; F9-L46 HydrophobicContact CE2-CD2 3.32Å; F9-L46 HydrophobicContact CZ-CD2 3.91Å; F9-F84 HydrophobicContact CD2-CE2 4.41Å
10K62.4Low64.3Low154 Ų15498.7 Ų98.767%0.6752%0.518SS*.Hα-helixtrans-76.5-20.3-177.2-72.2-168.5177-175.80113.6N7 V8N7-K10 PolarHBondContact O-N 2.53Å; N7-K10 WeakPolarHBondContact OD1-CB 3.47Å; N7-K10 WeakPolarHBondContact OD1-CD 3.03Å; N7-K10 WeakPolarHBondContact OD1-CG 3.44Å; V8-K10 PolarHBondContact O-N 3.24Å
11K73.1Confident65Low140 Ų140101.3 Ų101.361%0.60953%0.525SS*.Hα-helixtrans-81.1-32.8-179.7-76.6-173175.9-173.80112.7N7 V8 F9N7-K11 PolarHBondContact O-N 3.33Å; V8-K11 PolarHBondContact O-N 2.96Å; F9-K11 VanDerWaalsContact C-N 3.35Å; F9-K11 PolarHBondContact O-N 3.01Å
12R84.3Confident66.7Low55 Ų5591.5 Ų91.521%0.20849%0.488CS..Hα-helixtrans-107.2-43.5-175.2-179.4164.2178.7-150.5-9.3114.2V8 D32 S33 H34 E82V8-R12 PolarHBondContact O-N 2.81Å; V8-R12 VanDerWaalsContact O-N 3.13Å; R12-D32 WeakPolarHBondContact CG-OD1 3.41Å; R12-D32 IonicContact CZ-OD1 2.66Å; R12-D32 IonicContact CZ-OD2 2.81Å; R12-D32 IonicContact NE-OD1 3.1Å; R12-D32 PolarHBondContact NE-OD1 3.05Å; R12-D32 VanDerWaalsContact NE-OD1 3.09Å; R12-D32 IonicContact NE-OD2 2.92Å; R12-D32 PolarHBondContact NE-OD2 2.94Å; R12-D32 IonicContact NH2-OD1 3.88Å; R12-D32 IonicContact NH2-OD2 2.78Å; R12-D32 PolarHBondContact NH2-OD2 3.1Å; R12-S33 VanDerWaalsContact O-CB 3.26Å; R12-S33 WeakPolarHBondContact O-CB 3.48Å; R12-S33 PolarHBondContact O-N 3.49Å; R12-S33 PolarHBondContact O-OG 3.34Å; R12-S33 VanDerWaalsContact O-OG 3.07Å; R12-H34 HydrophobicContact CG-CB 4.26Å; R12-E82 IonicContact CZ-OE1 3.6Å; R12-E82 IonicContact CZ-OE2 3.79Å; R12-E82 IonicContact NH1-OE1 3.69Å; R12-E82 PolarHBondContact NH1-OE1 3.13Å; R12-E82 IonicContact NH1-OE2 3.43Å; R12-E82 PolarHBondContact NH1-OE2 3.14Å; R12-E82 IonicContact NH2-OE1 2.84Å; R12-E82 PolarHBondContact NH2-OE1 3.31Å
13Y88Confident68.4Low5 Ų586.8 Ų86.82%0.0249%0.49CS..EExtended strand (participates in β ladder)trans-107.4114.5-173.5-64.7-66.3000111.6F9 V30 E31 D32 K44 E82 F84 V93F9-Y13 PolarHBondContact O-N 3.34Å; F9-Y13 VanDerWaalsContact O-N 3.12Å; Y13-V30 HydrophobicContact CD1-CB 4.29Å; Y13-V30 HydrophobicContact CD1-CG2 3.63Å; Y13-V30 HydrophobicContact CE1-CG2 4.37Å; Y13-V30 HydrophobicContact CG-CG2 4.17Å; Y13-E31 WeakPolarHBondContact CA-O 3.17Å; Y13-D32 HydrophobicContact CD1-CB 4.16Å; Y13-D32 HydrophobicContact CE1-CB 3.81Å; Y13-D32 WeakPolarHBondContact CE1-OD2 3.43Å; Y13-K44 HydrophobicContact CE1-CD 4.25Å; Y13-E82 PolarHBondContact OH-OE1 3.17Å; Y13-F84 HydrophobicContact CD2-CE1 4.34Å; Y13-F84 HydrophobicContact CD2-CZ 4.25Å; Y13-F84 AromaticContact CE2-CE1 3.85Å; Y13-F84 HydrophobicContact CE2-CE1 3.85Å; Y13-F84 HydrophobicContact CE2-CZ 4.22Å; Y13-V93 HydrophobicContact CE1-CG1 4.21Å; Y13-V93 HydrophobicContact CE1-CG2 4.47Å; Y13-V93 HydrophobicContact CE2-CG2 3.91Å
14T89.3Confident70Confident69 Ų6981.3 Ų81.342%0.42346%0.464SS..EExtended strand (participates in β ladder)trans-91.2113.8173.9-610000108.9I16 V30 E31 S33T14-I16 PolarHBondContact O-N 3.34Å; T14-V30 CarbonylContact O-C 3.41Å; T14-V30 VanDerWaalsContact O-CA 3.27Å; T14-V30 WeakPolarHBondContact O-CA 3.11Å; T14-E31 PolarHBondContact N-O 3.42Å; T14-E31 PolarHBondContact O-N 3.48Å; T14-S33 PolarHBondContact OG1-OG 3.44Å
15V90.5Very high72.2Confident62 Ų6279.5 Ų79.538%0.37644%0.444SS..EExtended strand (participates in β ladder)trans-69.2118.5178.4177.40000109.9F9 Y28 V30F9-V15 HydrophobicContact CE1-CG2 4.05Å; F9-V15 HydrophobicContact CZ-CG2 3.84Å; V15-Y28 HydrophobicContact CG1-CD1 3.7Å; V15-Y28 HydrophobicContact CG1-CG 4.23Å; V15-V30 HydrophobicContact CG2-CG1 4.06Å
16I91.5Very high75Confident85 Ų8579 Ų7944%0.43643%0.43SS..EExtended strand (participates in β ladder)trans-88.9-52.9177.2-65.1163.1000110.4T14 L29 E31 L43T14-I16 PolarHBondContact O-N 3.34Å; I16-L29 HydrophobicContact CB-CD2 4.29Å; I16-L29 HydrophobicContact CB-CG 4.22Å; I16-L29 HydrophobicContact CD1-CD2 4.42Å; I16-L29 HydrophobicContact CD1-CG 4.2Å; I16-L29 HydrophobicContact CG2-CD2 4.14Å; I16-L29 PolarHBondContact N-O 3.12Å; I16-E31 HydrophobicContact CD1-CB 3.9Å; I16-E31 HydrophobicContact CG1-CB 4.36Å; I16-L43 HydrophobicContact CD1-CD2 3.27Å
17K92.6Very high77.6Confident141 Ų14176.5 Ų76.561%0.61341%0.414SS*.EExtended strand (participates in β ladder)trans-152.8150.8-173.9-174.5-179.3173.1-176.10110.6Y28 L29K17-Y28 CarbonylContact O-C 3.49Å; K17-Y28 WeakPolarHBondContact O-CA 2.96Å; K17-L29 HydrophobicContact CB-CB 4.46Å; K17-L29 PolarHBondContact N-O 3.12Å; K17-L29 PolarHBondContact O-N 3.29Å
18K91.8Very high79.6Confident101 Ų10174.4 Ų74.444%0.43940%0.4SS..EExtended strand (participates in β ladder)trans-78.6124166.9-173.6-175.4174.5-162.20109.9G20 Y28K18-G20 WeakPolarHBondContact CE-O 3.21Å; K18-Y28 HydrophobicContact CB-CD1 4.12Å; K18-Y28 HydrophobicContact CB-CE1 4.19Å; K18-Y28 HydrophobicContact CG-CD1 4.3Å; K18-Y28 HydrophobicContact CG-CE1 4.15Å
19L88.2Confident81.5Confident75 Ų7571.5 Ų71.539%0.39338%0.381SS..EExtended strand (participates in β ladder)trans-85.2-39.6177.7-66.7174.8000111.7T27 L29 A45 Y96L19-T27 HydrophobicContact CB-CG2 4.34Å; L19-T27 HydrophobicContact CD1-CG2 4.27Å; L19-T27 PolarHBondContact N-O 2.94Å; L19-L29 HydrophobicContact CD1-CB 4.08Å; L19-L29 HydrophobicContact CD2-CB 4Å; L19-L29 HydrophobicContact CG-CB 3.93Å; L19-A45 HydrophobicContact CD1-CB 4.2Å; L19-Y96 HydrophobicContact CD1-CD2 4.1Å; L19-Y96 HydrophobicContact CD1-CE2 4Å; L19-Y96 HydrophobicContact CD2-CE2 4.01Å
20G82.7Confident83Confident29 Ų2970.1 Ų70.130%0.29938%0.375SS..EExtended strand (participates in β ladder)trans-167.4169.4-176.900000114.3K18 T27K18-G20 WeakPolarHBondContact CE-O 3.21Å; G20-T27 PolarHBondContact N-O 2.88Å; G20-T27 PolarHBondContact O-N 3.28Å
21K80.4Confident84.3Confident153 Ų15364.7 Ų64.767%0.66535%0.352SS*.EExtended strand (participates in β ladder)trans-138.9120.5167.3179.1-174.2177.3-163.20107.1G25 K26K21-G25 WeakPolarHBondContact CA-O 3.42Å; K21-K26 HydrophobicContact CB-CG 4.37Å; K21-K26 HydrophobicContact CG-CG 4.04Å
22G67.5Low85.1Confident44 Ų4458 Ų5845%0.45432%0.323SS..EExtended strand (participates in β ladder)trans-120.3-177.9173.100000111.3S24 G25G22-S24 PolarHBondContact O-N 3.33Å; G22-G25 PolarHBondContact N-O 3.08Å; G22-G25 PolarHBondContact O-N 3.13Å; G22-G25 VanDerWaalsContact O-N 3.16Å
23A60.6Low85.1Confident120 Ų12057.5 Ų57.599%0.99233%0.328SS*.THydrogen-bonded Turntrans-56.1-38.217100000111.2G25A23-G25 PolarHBondContact O-N 3.18Å
24S65Low84.7Confident33 Ų3362.3 Ų62.323%0.23135%0.351CS..THydrogen-bonded Turntrans-78.27.7179.257.30000115.1G22 K47 I49G22-S24 PolarHBondContact O-N 3.33Å; S24-K47 WeakPolarHBondContact OG-CE 3.36Å; S24-K47 PolarHBondContact OG-NZ 3.35Å; S24-I49 WeakPolarHBondContact O-CG1 3.45Å; S24-I49 WeakPolarHBondContact O-CG2 3.29Å
25G76.1Confident84Confident17 Ų1763.1 Ų63.118%0.17535%0.35CS..EExtended strand (participates in β ladder)trans121-162.5174.800000115.5K21 G22 A23 C48K21-G25 WeakPolarHBondContact CA-O 3.42Å; G22-G25 PolarHBondContact N-O 3.08Å; G22-G25 PolarHBondContact O-N 3.13Å; G22-G25 VanDerWaalsContact O-N 3.16Å; A23-G25 PolarHBondContact O-N 3.18Å; G25-C48 CarbonylContact C-O 3.58Å; G25-C48 WeakPolarHBondContact CA-O 3.29Å
26K88.4Confident83Confident93 Ų9361.2 Ų61.240%0.40434%0.339SS..EExtended strand (participates in β ladder)trans-112133.4-176.4-64.8176.5-172.5172.60110K21 Y28 C48K21-K26 HydrophobicContact CB-CG 4.37Å; K21-K26 HydrophobicContact CG-CG 4.04Å; K26-Y28 HydrophobicContact CB-CE2 3.61Å; K26-Y28 VanDerWaalsContact CD-OH 3.29Å; K26-Y28 WeakPolarHBondContact CD-OH 2.92Å; K26-C48 PolarHBondContact N-O 3.5Å; K26-C48 PolarHBondContact O-N 2.95Å
27T90.3Very high81.7Confident35 Ų3564 Ų6422%0.21535%0.35CS..EExtended strand (participates in β ladder)trans-111.2135.5178.3-49.10000110.5L19 G20 A45 L46 K47L19-T27 HydrophobicContact CB-CG2 4.34Å; L19-T27 HydrophobicContact CD1-CG2 4.27Å; L19-T27 PolarHBondContact N-O 2.94Å; G20-T27 PolarHBondContact N-O 2.88Å; G20-T27 PolarHBondContact O-N 3.28Å; T27-A45 HydrophobicContact CG2-CB 4.47Å; T27-L46 CarbonylContact C-O 3.54Å; T27-L46 WeakPolarHBondContact CA-O 3.38Å; T27-K47 HydrophobicContact CG2-CB 4.45Å
28Y92.9Very high80.2Confident45 Ų4561.4 Ų61.418%0.17634%0.343CS..EExtended strand (participates in β ladder)trans-125.6142.4-176.3-59.8-87.4000110.7V15 K17 K18 K26 A45 L46V15-Y28 HydrophobicContact CG1-CD1 3.7Å; V15-Y28 HydrophobicContact CG1-CG 4.23Å; K17-Y28 CarbonylContact O-C 3.49Å; K17-Y28 WeakPolarHBondContact O-CA 2.96Å; K18-Y28 HydrophobicContact CB-CD1 4.12Å; K18-Y28 HydrophobicContact CB-CE1 4.19Å; K18-Y28 HydrophobicContact CG-CD1 4.3Å; K18-Y28 HydrophobicContact CG-CE1 4.15Å; K26-Y28 HydrophobicContact CB-CE2 3.61Å; K26-Y28 VanDerWaalsContact CD-OH 3.29Å; K26-Y28 WeakPolarHBondContact CD-OH 2.92Å; Y28-A45 CarbonylContact O-C 3.58Å; Y28-A45 WeakPolarHBondContact O-CA 3.42Å; Y28-L46 PolarHBondContact N-O 3.46Å; Y28-L46 PolarHBondContact O-N 2.69Å
29L93.7Very high78.6Confident17 Ų1763 Ų639%0.08937%0.365CS..EExtended strand (participates in β ladder)trans-79.5125.5162.3179.262.8000107.6I16 K17 L19 L43 Y96I16-L29 HydrophobicContact CB-CD2 4.29Å; I16-L29 HydrophobicContact CB-CG 4.22Å; I16-L29 HydrophobicContact CD1-CD2 4.42Å; I16-L29 HydrophobicContact CD1-CG 4.2Å; I16-L29 HydrophobicContact CG2-CD2 4.14Å; I16-L29 PolarHBondContact N-O 3.12Å; K17-L29 HydrophobicContact CB-CB 4.46Å; K17-L29 PolarHBondContact N-O 3.12Å; K17-L29 PolarHBondContact O-N 3.29Å; L19-L29 HydrophobicContact CD1-CB 4.08Å; L19-L29 HydrophobicContact CD2-CB 4Å; L19-L29 HydrophobicContact CG-CB 3.93Å; L29-L43 HydrophobicContact CD1-CB 4.11Å; L29-L43 HydrophobicContact CD1-CD2 4.47Å; L29-Y96 HydrophobicContact CD1-CD1 3.95Å; L29-Y96 HydrophobicContact CD1-CD2 3.6Å; L29-Y96 HydrophobicContact CD1-CE1 4.12Å; L29-Y96 HydrophobicContact CD1-CE2 3.79Å; L29-Y96 HydrophobicContact CD1-CG 3.68Å
30V92.9Very high77.7Confident0 Ų062.4 Ų62.40%037%0.365CS..EExtended strand (participates in β ladder)trans-127.9148.2-178.2-57.10000111.4Y13 T14 V15 L43 K44 L46Y13-V30 HydrophobicContact CD1-CB 4.29Å; Y13-V30 HydrophobicContact CD1-CG2 3.63Å; Y13-V30 HydrophobicContact CE1-CG2 4.37Å; Y13-V30 HydrophobicContact CG-CG2 4.17Å; T14-V30 CarbonylContact O-C 3.41Å; T14-V30 VanDerWaalsContact O-CA 3.27Å; T14-V30 WeakPolarHBondContact O-CA 3.11Å; V15-V30 HydrophobicContact CG2-CG1 4.06Å; V30-L43 WeakPolarHBondContact O-CA 3.4Å; V30-K44 HydrophobicContact CG2-CB 3.95Å; V30-K44 WeakPolarHBondContact CG2-O 3.28Å; V30-K44 PolarHBondContact N-O 3.07Å; V30-K44 PolarHBondContact O-N 3.16Å; V30-L46 HydrophobicContact CG1-CB 3.68Å; V30-L46 HydrophobicContact CG1-CD2 3.84Å; V30-L46 HydrophobicContact CG1-CG 4.44Å; V30-L46 HydrophobicContact CG2-CB 3.98Å
31E91.4Very high77.4Confident39 Ų3967.7 Ų67.718%0.18238%0.38CS..EExtended strand (participates in β ladder)trans-95.5121.9167.6-174.8168-163.400108.6Y13 T14 I16 S33 K41 V42Y13-E31 WeakPolarHBondContact CA-O 3.17Å; T14-E31 PolarHBondContact N-O 3.42Å; T14-E31 PolarHBondContact O-N 3.48Å; I16-E31 HydrophobicContact CD1-CB 3.9Å; I16-E31 HydrophobicContact CG1-CB 4.36Å; E31-S33 PolarHBondContact O-N 2.89Å; E31-K41 WeakPolarHBondContact OE1-CD 3.33Å; E31-K41 VanDerWaalsContact OE1-CE 3.26Å; E31-K41 WeakPolarHBondContact OE1-CE 3.26Å; E31-K41 WeakPolarHBondContact OE1-CG 3.44Å; E31-K41 IonicContact OE1-NZ 3.11Å; E31-K41 IonicContact OE2-NZ 3.11Å; E31-V42 WeakPolarHBondContact CA-O 3.46Å
32D89.3Confident77.5Confident0 Ų061.3 Ų61.30%035%0.354CS..EExtended strand (participates in β ladder)trans-79.1101.7174.5-168-25.4000109.1R12 Y13 H34 E35 S36 V42 K44R12-D32 WeakPolarHBondContact CG-OD1 3.41Å; R12-D32 IonicContact CZ-OD1 2.66Å; R12-D32 IonicContact CZ-OD2 2.81Å; R12-D32 IonicContact NE-OD1 3.1Å; R12-D32 PolarHBondContact NE-OD1 3.05Å; R12-D32 VanDerWaalsContact NE-OD1 3.09Å; R12-D32 IonicContact NE-OD2 2.92Å; R12-D32 PolarHBondContact NE-OD2 2.94Å; R12-D32 IonicContact NH2-OD1 3.88Å; R12-D32 IonicContact NH2-OD2 2.78Å; R12-D32 PolarHBondContact NH2-OD2 3.1Å; Y13-D32 HydrophobicContact CD1-CB 4.16Å; Y13-D32 HydrophobicContact CE1-CB 3.81Å; Y13-D32 WeakPolarHBondContact CE1-OD2 3.43Å; D32-H34 PolarHBondContact O-N 2.7Å; D32-H34 WeakPolarHBondContact OD1-CB 3.28Å; D32-H34 PolarHBondContact OD1-N 2.93Å; D32-H34 VanDerWaalsContact OD1-N 3.11Å; D32-E35 HydrophobicContact CB-CB 4.22Å; D32-E35 PolarHBondContact O-N 3.45Å; D32-E35 PolarHBondContact OD1-N 3.21Å; D32-S36 WeakPolarHBondContact O-CB 3.3Å; D32-S36 PolarHBondContact O-N 3.27Å; D32-S36 PolarHBondContact O-OG 2.86Å; D32-V42 HydrophobicContact CB-CB 4.43Å; D32-V42 HydrophobicContact CB-CG1 4.39Å; D32-V42 PolarHBondContact N-O 3.35Å; D32-K44 HydrophobicContact CB-CD 4.19Å; D32-K44 IonicContact OD2-NZ 3.01Å; D32-K44 PolarHBondContact OD2-NZ 2.67Å
33S83.4Confident78.6Confident44 Ų4462.5 Ų62.531%0.30835%0.349SS..THydrogen-bonded Turntrans-70.4-18.8-174.9-510000112.7R12 T14 E31 Q37R12-S33 VanDerWaalsContact O-CB 3.26Å; R12-S33 WeakPolarHBondContact O-CB 3.48Å; R12-S33 PolarHBondContact O-N 3.49Å; R12-S33 PolarHBondContact O-OG 3.34Å; R12-S33 VanDerWaalsContact O-OG 3.07Å; T14-S33 PolarHBondContact OG1-OG 3.44Å; E31-S33 PolarHBondContact O-N 2.89Å; S33-Q37 WeakPolarHBondContact O-CG 3.48Å
34H79.9Confident80.1Confident107 Ų10757 Ų5750%0.49530%0.303SS..THydrogen-bonded Turntrans-77.4-44.4174.4-88.6-106000111.3R12 D32 Q37R12-H34 HydrophobicContact CG-CB 4.26Å; D32-H34 PolarHBondContact O-N 2.7Å; D32-H34 WeakPolarHBondContact OD1-CB 3.28Å; D32-H34 PolarHBondContact OD1-N 2.93Å; D32-H34 VanDerWaalsContact OD1-N 3.11Å; H34-Q37 VanDerWaalsContact O-CG 3.29Å; H34-Q37 WeakPolarHBondContact O-CG 3.49Å
35E74.8Confident81.4Confident86 Ų8656 Ų5640%0.40230%0.296SS..G310 helixtrans-80.3-26.3-178.9-152.1175.1158.300111.8D32 Q37 V42 K44D32-E35 HydrophobicContact CB-CB 4.22Å; D32-E35 PolarHBondContact O-N 3.45Å; D32-E35 PolarHBondContact OD1-N 3.21Å; E35-Q37 PolarHBondContact O-N 3.3Å; E35-Q37 VanDerWaalsContact O-N 3.15Å; E35-V42 HydrophobicContact CB-CB 4.11Å; E35-V42 HydrophobicContact CB-CG1 4.26Å; E35-V42 HydrophobicContact CB-CG2 3.94Å; E35-V42 HydrophobicContact CG-CB 4.42Å; E35-V42 HydrophobicContact CG-CG1 4.32Å; E35-V42 HydrophobicContact CG-CG2 3.89Å; E35-K44 VanDerWaalsContact OE2-CE 3.25Å; E35-K44 WeakPolarHBondContact OE2-CE 3.21Å; E35-K44 IonicContact OE2-NZ 3.19Å; E35-K44 PolarHBondContact OE2-NZ 3.45Å
36S70.7Confident82.1Confident22 Ų2255.1 Ų55.115%0.15429%0.288CS..G310 helixtrans-74.84177-53.60000114.2D32 N38 T40 V42D32-S36 WeakPolarHBondContact O-CB 3.3Å; D32-S36 PolarHBondContact O-N 3.27Å; D32-S36 PolarHBondContact O-OG 2.86Å; S36-N38 PolarHBondContact O-N 3.32Å; S36-N38 VanDerWaalsContact O-N 3.14Å; S36-T40 WeakPolarHBondContact CA-O 3.46Å; S36-V42 PolarHBondContact OG-N 3.01Å
37Q62.6Low82.2Confident143 Ų14351.8 Ų51.867%0.66827%0.273SS*.G310 helixtrans-63.1-16.6176.9-70-178.93.300113.1S33 H34 E35 C39S33-Q37 WeakPolarHBondContact O-CG 3.48Å; H34-Q37 VanDerWaalsContact O-CG 3.29Å; H34-Q37 WeakPolarHBondContact O-CG 3.49Å; E35-Q37 PolarHBondContact O-N 3.3Å; E35-Q37 VanDerWaalsContact O-N 3.15Å; Q37-C39 PolarHBondContact O-N 3.42Å
38N60.7Low82Confident87 Ų8750.5 Ų50.547%0.46527%0.265SS..G310 helixtrans-99.238.5-177.6-65.1-44.5000113.9S36 T40 F332S36-N38 PolarHBondContact O-N 3.32Å; S36-N38 VanDerWaalsContact O-N 3.14Å; N38-T40 PolarHBondContact O-N 2.95Å; N38-F332 HydrophobicContact CB-CE2 3.58Å; N38-F332 HydrophobicContact CB-CZ 3.5Å; N38-F332 VanDerWaalsContact CB-CZ 3.5Å; N38-F332 WeakPolarHBondContact ND2-CE2 3.23Å; N38-F332 WeakPolarHBondContact ND2-CZ 3.29Å
39C59.3Low81.5Confident134 Ų13449 Ų4991%0.90526%0.26SS*.SBendtrans59.37.5176.6-680000116.8Q37Q37-C39 PolarHBondContact O-N 3.42Å
40T68.5Low80.9Confident63 Ų6355.3 Ų55.339%0.38729%0.287SS..SBendtrans-118.4125.717445.20000109S36 N38 V42S36-T40 WeakPolarHBondContact CA-O 3.46Å; N38-T40 PolarHBondContact O-N 2.95Å; T40-V42 PolarHBondContact O-N 2.97Å
41K76.2Confident80Confident140 Ų14055.9 Ų55.961%0.60929%0.29SS*.  trans-67.8122.9177.5-61.2-162.2165.2-155.10109.5E31E31-K41 WeakPolarHBondContact OE1-CD 3.33Å; E31-K41 VanDerWaalsContact OE1-CE 3.26Å; E31-K41 WeakPolarHBondContact OE1-CE 3.26Å; E31-K41 WeakPolarHBondContact OE1-CG 3.44Å; E31-K41 IonicContact OE1-NZ 3.11Å; E31-K41 IonicContact OE2-NZ 3.11Å
42V84.1Confident79Confident19 Ų1959.2 Ų59.212%0.11531%0.309CS..  trans-100.4104.5176.11790000108.5E31 D32 E35 S36 T40 K44E31-V42 WeakPolarHBondContact CA-O 3.46Å; D32-V42 HydrophobicContact CB-CB 4.43Å; D32-V42 HydrophobicContact CB-CG1 4.39Å; D32-V42 PolarHBondContact N-O 3.35Å; E35-V42 HydrophobicContact CB-CB 4.11Å; E35-V42 HydrophobicContact CB-CG1 4.26Å; E35-V42 HydrophobicContact CB-CG2 3.94Å; E35-V42 HydrophobicContact CG-CB 4.42Å; E35-V42 HydrophobicContact CG-CG1 4.32Å; E35-V42 HydrophobicContact CG-CG2 3.89Å; S36-V42 PolarHBondContact OG-N 3.01Å; T40-V42 PolarHBondContact O-N 2.97Å; V42-K44 HydrophobicContact CG1-CG 4.36Å
43L91Very high77.7Confident68 Ų6865.6 Ų65.636%0.35634%0.343SS..EExtended strand (participates in β ladder)trans-88.3131.7179-61.6-177.9000110.7I16 L29 V30 Y96I16-L43 HydrophobicContact CD1-CD2 3.27Å; L29-L43 HydrophobicContact CD1-CB 4.11Å; L29-L43 HydrophobicContact CD1-CD2 4.47Å; V30-L43 WeakPolarHBondContact O-CA 3.4Å; L43-Y96 HydrophobicContact CB-CD1 4.23Å; L43-Y96 HydrophobicContact CD1-CD1 4.41Å
44K91.6Very high76.3Confident6 Ų671 Ų713%0.02637%0.369CS..EExtended strand (participates in β ladder)trans-131.4159.4176.6-63.8-175.7-179.11700110.5Y13 V30 D32 E35 V42 V93 S94Y13-K44 HydrophobicContact CE1-CD 4.25Å; V30-K44 HydrophobicContact CG2-CB 3.95Å; V30-K44 WeakPolarHBondContact CG2-O 3.28Å; V30-K44 PolarHBondContact N-O 3.07Å; V30-K44 PolarHBondContact O-N 3.16Å; D32-K44 HydrophobicContact CB-CD 4.19Å; D32-K44 IonicContact OD2-NZ 3.01Å; D32-K44 PolarHBondContact OD2-NZ 2.67Å; E35-K44 VanDerWaalsContact OE2-CE 3.25Å; E35-K44 WeakPolarHBondContact OE2-CE 3.21Å; E35-K44 IonicContact OE2-NZ 3.19Å; E35-K44 PolarHBondContact OE2-NZ 3.45Å; V42-K44 HydrophobicContact CG1-CG 4.36Å; K44-V93 HydrophobicContact CB-CG1 3.92Å; K44-V93 HydrophobicContact CD-CG1 3.54Å; K44-V93 HydrophobicContact CG-CG1 4.28Å; K44-S94 WeakPolarHBondContact CB-O 3.49Å
45A92.3Very high75.3Confident10 Ų1068.1 Ų68.18%0.08336%0.36CS..EExtended strand (participates in β ladder)trans-99.9130.8170.200000109.5L19 T27 Y28 V93 S94L19-A45 HydrophobicContact CD1-CB 4.2Å; T27-A45 HydrophobicContact CG2-CB 4.47Å; Y28-A45 CarbonylContact O-C 3.58Å; Y28-A45 WeakPolarHBondContact O-CA 3.42Å; A45-V93 CarbonylContact O-C 3.48Å; A45-V93 WeakPolarHBondContact O-CA 3.34Å; A45-S94 PolarHBondContact N-O 3Å; A45-S94 PolarHBondContact O-N 3.29Å
46L90.9Very high74.9Confident0 Ų067.1 Ų67.10%037%0.367CS..EExtended strand (participates in β ladder)trans-118.1109.3-178.7-179.865.9000109.7F9 T27 Y28 V30 F84 C91 I92 V93F9-L46 HydrophobicContact CD2-CD2 4.08Å; F9-L46 HydrophobicContact CE2-CD2 3.32Å; F9-L46 HydrophobicContact CZ-CD2 3.91Å; T27-L46 CarbonylContact C-O 3.54Å; T27-L46 WeakPolarHBondContact CA-O 3.38Å; Y28-L46 PolarHBondContact N-O 3.46Å; Y28-L46 PolarHBondContact O-N 2.69Å; V30-L46 HydrophobicContact CG1-CB 3.68Å; V30-L46 HydrophobicContact CG1-CD2 3.84Å; V30-L46 HydrophobicContact CG1-CG 4.44Å; V30-L46 HydrophobicContact CG2-CB 3.98Å; L46-F84 HydrophobicContact CD1-CE1 4.26Å; L46-F84 HydrophobicContact CD1-CZ 3.98Å; L46-C91 HydrophobicContact CD1-CB 4.01Å; L46-I92 WeakPolarHBondContact CA-O 3.29Å; L46-V93 HydrophobicContact CD1-CG2 3.67Å
47K88.9Confident74.7Confident23 Ų2368.6 Ų68.610%0.138%0.38CS..EExtended strand (participates in β ladder)trans-95.8121.3175.8-172.4173.7-174.7174.40109.5S24 T27 I49 C91 I92 D161S24-K47 WeakPolarHBondContact OG-CE 3.36Å; S24-K47 PolarHBondContact OG-NZ 3.35Å; T27-K47 HydrophobicContact CG2-CB 4.45Å; K47-I49 HydrophobicContact CG-CG1 4.4Å; K47-C91 CarbonylContact O-C 3.5Å; K47-C91 VanDerWaalsContact O-CA 3.26Å; K47-C91 WeakPolarHBondContact O-CA 3.44Å; K47-I92 PolarHBondContact N-O 3.11Å; K47-I92 PolarHBondContact O-N 3.09Å; K47-D161 IonicContact NZ-OD1 3.7Å; K47-D161 PolarHBondContact NZ-OD1 2.83Å; K47-D161 IonicContact NZ-OD2 2.73Å; K47-D161 PolarHBondContact NZ-OD2 3.21Å
48C86.8Confident74.8Confident8 Ų864.5 Ų64.55%0.05437%0.365CS..EExtended strand (participates in β ladder)trans-111120.7177.6-61.20000110.7G25 K26 F90 C91G25-C48 CarbonylContact C-O 3.58Å; G25-C48 WeakPolarHBondContact CA-O 3.29Å; K26-C48 PolarHBondContact N-O 3.5Å; K26-C48 PolarHBondContact O-N 2.95Å; C48-F90 WeakPolarHBondContact CA-O 3.32Å; C48-C91 PolarHBondContact SG-SG 3.01Å
49I83.1Confident75.1Confident12 Ų1263.6 Ų63.66%0.06236%0.358CS..EExtended strand (participates in β ladder)trans-111.1131-179-41.4-170000107.7S24 K47 R89 F90 L168S24-I49 WeakPolarHBondContact O-CG1 3.45Å; S24-I49 WeakPolarHBondContact O-CG2 3.29Å; K47-I49 HydrophobicContact CG-CG1 4.4Å; I49-R89 CarbonylContact O-C 3.34Å; I49-R89 WeakPolarHBondContact O-CA 3.48Å; I49-F90 HydrophobicContact CB-CB 4.41Å; I49-F90 HydrophobicContact CD1-CD1 4.48Å; I49-F90 PolarHBondContact N-O 3.29Å; I49-F90 PolarHBondContact O-N 2.87Å; I49-L168 HydrophobicContact CD1-CD1 3.44Å; I49-L168 VanDerWaalsContact CD1-CD1 3.44Å; I49-L168 HydrophobicContact CG2-CD1 4.23Å; I49-L168 HydrophobicContact CG2-CD2 4.12Å
50K80.6Confident75.7Confident150 Ų15064.1 Ų64.165%0.65234%0.341SS*.EExtended strand (participates in β ladder)trans-72.9133.8177.4-167.6-171.8174.8-153.70108.2
51L74.7Confident75.6Confident13 Ų1363.4 Ų63.47%0.06834%0.335CS..PPolyproline II helixtrans-94.5144.2170.4-64.2173.3000108.3H62 V85 N88 F90L51-H62 VanDerWaalsContact CD2-CE1 3.43Å; L51-H62 WeakPolarHBondContact CD2-CE1 3.29Å; L51-H62 WeakPolarHBondContact CD2-ND1 3.03Å; L51-V85 HydrophobicContact CD1-CG1 4.04Å; L51-V85 HydrophobicContact CD1-CG2 4.23Å; L51-N88 WeakPolarHBondContact CB-OD1 3.48Å; L51-N88 PolarHBondContact N-O 2.66Å; L51-N88 PolarHBondContact O-ND2 2.78Å; L51-N88 PolarHBondContact O-OD1 2.84Å; L51-F90 HydrophobicContact CD1-CB 4.15Å; L51-F90 HydrophobicContact CD2-CB 3.93Å; L51-F90 HydrophobicContact CG-CB 4.08Å
52D70.6Confident75.2Confident108 Ų10857 Ų5758%0.57831%0.307SS*.PPolyproline II helixtrans-81.2143.1169.7-72.2-24000109.8N54D52-N54 PolarHBondContact O-N 3.02Å
53D60.8Low74.6Confident135 Ų13560.1 Ų60.172%0.72232%0.32SS*.THydrogen-bonded Turntrans-63.4-4.4-166.6-68.5-44.5000114.6N88D53-N88 PolarHBondContact OD1-ND2 2.92Å
54N53.9Low73.6Confident158 Ų15863.4 Ų63.485%0.84533%0.332SS*.THydrogen-bonded Turntrans-12220.4-161.6-91-6.7000117.7D52D52-N54 PolarHBondContact O-N 3.02Å
55S59.8Low72.5Confident45 Ų4565 Ų6532%0.31534%0.339SS..  trans-151.188179.448.10000115.7A57 V58 Q59S55-A57 PolarHBondContact O-N 3.34Å; S55-V58 WeakPolarHBondContact O-CB 3.41Å; S55-V58 PolarHBondContact O-N 3.13Å; S55-V58 WeakPolarHBondContact OG-CB 3.48Å; S55-V58 WeakPolarHBondContact OG-CG2 3.28Å; S55-Q59 PolarHBondContact O-N 2.84Å; S55-Q59 VanDerWaalsContact O-N 3.12Å
56A66.9Low71.5Confident65 Ų6564.5 Ų64.554%0.53734%0.335SS..Hα-helixtrans-54.7-19.816500000113.5R60A56-R60 WeakPolarHBondContact O-CG 3.41Å; A56-R60 PolarHBondContact O-N 3.36Å; A56-R60 PolarHBondContact O-NE 2.9Å
57A65.2Low70.7Confident53 Ų5371 Ų7144%0.43837%0.365SS..Hα-helixtrans-72.3-43171.600000112.3S55 R60 D61S55-A57 PolarHBondContact O-N 3.34Å; A57-R60 PolarHBondContact O-N 3.25Å; A57-D61 PolarHBondContact O-N 3.45Å
58V65.1Low70Confident57 Ų5773.8 Ų73.835%0.34538%0.381SS..Hα-helixtrans-67.8-42.9179168.50000110.3S55 R60 D61 H62S55-V58 WeakPolarHBondContact O-CB 3.41Å; S55-V58 PolarHBondContact O-N 3.13Å; S55-V58 WeakPolarHBondContact OG-CB 3.48Å; S55-V58 WeakPolarHBondContact OG-CG2 3.28Å; V58-R60 VanDerWaalsContact C-N 3.34Å; V58-R60 PolarHBondContact O-N 3.33Å; V58-D61 PolarHBondContact O-N 3.44Å; V58-D61 VanDerWaalsContact O-N 3.15Å; V58-H62 WeakPolarHBondContact CG1-CE1 3.44Å; V58-H62 WeakPolarHBondContact CG1-NE2 3.39Å; V58-H62 PolarHBondContact O-CD2 3.16Å; V58-H62 PolarHBondContact O-N 3.14Å; V58-H62 PolarHBondContact O-ND1 2.83Å; V58-H62 PolarHBondContact O-NE2 3.41Å
59Q67.5Low69.3Low69 Ų6973.8 Ų73.832%0.32238%0.38SS..Hα-helixtrans-57.5-45172.4-176.2-175.6-1700112.5S55 D61 H62 E63 V85S55-Q59 PolarHBondContact O-N 2.84Å; S55-Q59 VanDerWaalsContact O-N 3.12Å; Q59-D61 VanDerWaalsContact C-N 3.27Å; Q59-D61 PolarHBondContact O-N 3.35Å; Q59-H62 WeakPolarHBondContact O-CB 3.18Å; Q59-H62 PolarHBondContact O-N 2.87Å; Q59-E63 PolarHBondContact NE2-OE1 2.96Å; Q59-E63 WeakPolarHBondContact O-CG 3.41Å; Q59-E63 PolarHBondContact O-N 3.15Å; Q59-V85 HydrophobicContact CG-CG2 4.15Å
60R70.8Confident69.1Low145 Ų14575.2 Ų75.255%0.54739%0.391SS..Hα-helixtrans-62-35.9177.6-87.5-179.3-84.9150-13.6112.5A56 A57 V58 K64A56-R60 WeakPolarHBondContact O-CG 3.41Å; A56-R60 PolarHBondContact O-N 3.36Å; A56-R60 PolarHBondContact O-NE 2.9Å; A57-R60 PolarHBondContact O-N 3.25Å; V58-R60 VanDerWaalsContact C-N 3.34Å; V58-R60 PolarHBondContact O-N 3.33Å; R60-K64 WeakPolarHBondContact O-CG 3.33Å; R60-K64 PolarHBondContact O-N 3.5Å; R60-K64 VanDerWaalsContact O-N 3.15Å
61D66.9Low69.2Low48 Ų4871.1 Ų71.126%0.25738%0.381SS..Hα-helixtrans-69.2-39.1176.4-78.44.8000111.2A57 V58 Q59 K64 E65 R355A57-D61 PolarHBondContact O-N 3.45Å; V58-D61 PolarHBondContact O-N 3.44Å; V58-D61 VanDerWaalsContact O-N 3.15Å; Q59-D61 VanDerWaalsContact C-N 3.27Å; Q59-D61 PolarHBondContact O-N 3.35Å; D61-K64 PolarHBondContact O-N 3.47Å; D61-E65 PolarHBondContact O-N 3.35Å; D61-E65 VanDerWaalsContact O-N 3.09Å; D61-R355 IonicContact OD1-CZ 3.29Å; D61-R355 IonicContact OD1-NH1 3.86Å; D61-R355 IonicContact OD1-NH2 3.58Å; D61-R355 PolarHBondContact OD1-NH2 3.38Å; D61-R355 IonicContact OD2-CZ 3.99Å; D61-R355 VanDerWaalsContact OD2-CZ 3.29Å; D61-R355 IonicContact OD2-NH1 2.98Å; D61-R355 PolarHBondContact OD2-NH1 3.45Å; D61-R355 IonicContact OD2-NH2 3.09Å; D61-R355 PolarHBondContact OD2-NH2 2.98Å
62H68.3Low69.6Low4 Ų470.9 Ų70.92%0.01938%0.38CS..Hα-helixtrans-64.3-43.2174.9-57.5163.2000112.8L51 V58 Q59 E65 A66 F90 L168L51-H62 VanDerWaalsContact CD2-CE1 3.43Å; L51-H62 WeakPolarHBondContact CD2-CE1 3.29Å; L51-H62 WeakPolarHBondContact CD2-ND1 3.03Å; V58-H62 WeakPolarHBondContact CG1-CE1 3.44Å; V58-H62 WeakPolarHBondContact CG1-NE2 3.39Å; V58-H62 PolarHBondContact O-CD2 3.16Å; V58-H62 PolarHBondContact O-N 3.14Å; V58-H62 PolarHBondContact O-ND1 2.83Å; V58-H62 PolarHBondContact O-NE2 3.41Å; Q59-H62 WeakPolarHBondContact O-CB 3.18Å; Q59-H62 PolarHBondContact O-N 2.87Å; H62-E65 PolarHBondContact O-N 3.36Å; H62-A66 WeakPolarHBondContact O-CB 3.35Å; H62-A66 PolarHBondContact O-N 2.87Å; H62-F90 HydrophobicContact CB-CD1 4.29Å; H62-F90 HydrophobicContact CB-CD2 4.05Å; H62-F90 HydrophobicContact CB-CE1 4.1Å; H62-F90 HydrophobicContact CB-CE2 3.88Å; H62-F90 HydrophobicContact CB-CG 4.26Å; H62-F90 HydrophobicContact CB-CZ 3.9Å; H62-F90 WeakPolarHBondContact O-CZ 3.3Å; H62-L168 WeakPolarHBondContact CE1-CD2 3.49Å; H62-L168 WeakPolarHBondContact NE2-CD2 3.25Å
63E71.4Confident70.4Confident85 Ų8572.4 Ų72.440%0.39738%0.382SS..Hα-helixtrans-63.2-42.1178.2-73.9172.1-173.900111.4Q59 E65 H67 F90Q59-E63 PolarHBondContact NE2-OE1 2.96Å; Q59-E63 WeakPolarHBondContact O-CG 3.41Å; Q59-E63 PolarHBondContact O-N 3.15Å; E63-E65 VanDerWaalsContact C-N 3.34Å; E63-E65 PolarHBondContact O-N 2.89Å; E63-H67 VanDerWaalsContact O-CB 3.32Å; E63-H67 WeakPolarHBondContact O-CB 3.48Å; E63-H67 PolarHBondContact O-N 3.44Å; E63-F90 HydrophobicContact CG-CE2 4.19Å
64K70.1Confident71.8Confident138 Ų13866.2 Ų66.260%0.635%0.349SS*.Hα-helixtrans-62.3-41.7176-76.3177.1-178.4-179.80112.3R60 D61 H67 L68R60-K64 WeakPolarHBondContact O-CG 3.33Å; R60-K64 PolarHBondContact O-N 3.5Å; R60-K64 VanDerWaalsContact O-N 3.15Å; D61-K64 PolarHBondContact O-N 3.47Å; K64-H67 PolarHBondContact O-N 2.71Å; K64-L68 PolarHBondContact O-N 2.89Å
65E67.2Low73.5Confident38 Ų3859 Ų5918%0.17831%0.31CS..Hα-helixtrans-71.5-43.6179.6-173.7165.3-175.700112.2D61 H62 E63 H67 L68 L69 G163 I164 S167D61-E65 PolarHBondContact O-N 3.35Å; D61-E65 VanDerWaalsContact O-N 3.09Å; H62-E65 PolarHBondContact O-N 3.36Å; E63-E65 VanDerWaalsContact C-N 3.34Å; E63-E65 PolarHBondContact O-N 2.89Å; E65-H67 PolarHBondContact O-N 3.48Å; E65-L68 WeakPolarHBondContact O-CB 3.35Å; E65-L68 PolarHBondContact O-N 2.85Å; E65-L68 VanDerWaalsContact O-N 3.13Å; E65-L69 HydrophobicContact CG-CD1 4.28Å; E65-L69 HydrophobicContact CG-CG 4.45Å; E65-L69 VanDerWaalsContact O-CG 3.3Å; E65-L69 WeakPolarHBondContact O-CG 3.24Å; E65-L69 PolarHBondContact O-N 2.92Å; E65-G163 VanDerWaalsContact OE1-C 3.27Å; E65-I164 VanDerWaalsContact CD-CA 3.47Å; E65-I164 HydrophobicContact CG-CG1 4.16Å; E65-I164 WeakPolarHBondContact OE1-CA 3.45Å; E65-I164 PolarHBondContact OE1-N 3.48Å; E65-S167 VanDerWaalsContact OE2-CB 3.26Å; E65-S167 WeakPolarHBondContact OE2-CB 3.26Å; E65-S167 PolarHBondContact OE2-OG 3.13Å
66A71.9Confident75.2Confident0 Ų057.3 Ų57.30%030%0.297CS..Hα-helixtrans-62.1-34.1174.200000112.1H62 L69 S70 S83 F90H62-A66 WeakPolarHBondContact O-CB 3.35Å; H62-A66 PolarHBondContact O-N 2.87Å; A66-L69 PolarHBondContact O-N 3.49Å; A66-S70 WeakPolarHBondContact O-CB 3.06Å; A66-S70 PolarHBondContact O-N 3.08Å; A66-S70 PolarHBondContact O-OG 3.46Å; A66-S83 VanDerWaalsContact CB-OG 3.28Å; A66-S83 WeakPolarHBondContact CB-OG 3.17Å; A66-F90 HydrophobicContact CB-CE1 4.06Å; A66-F90 HydrophobicContact CB-CZ 3.56Å
67H75Confident76.4Confident137 Ų13754.3 Ų54.363%0.63427%0.272SS*.Hα-helixtrans-63.6-47172.1-170.565.8000111.9E63 K64 E65 L69 S70 S71E63-H67 VanDerWaalsContact O-CB 3.32Å; E63-H67 WeakPolarHBondContact O-CB 3.48Å; E63-H67 PolarHBondContact O-N 3.44Å; K64-H67 PolarHBondContact O-N 2.71Å; E65-H67 PolarHBondContact O-N 3.48Å; H67-L69 VanDerWaalsContact C-N 3.27Å; H67-L69 PolarHBondContact O-N 3.28Å; H67-S70 WeakPolarHBondContact CA-OG 3.43Å; H67-S70 PolarHBondContact O-N 3.31Å; H67-S70 PolarHBondContact O-OG 3.34Å; H67-S71 PolarHBondContact O-N 3.44Å; H67-S71 VanDerWaalsContact O-N 3.13Å
68L72.5Confident77.7Confident81 Ų8152.7 Ų52.742%0.42426%0.256SS..Hα-helixtrans-56-44.5173.9179.866.6000111.1K64 E65 S71 L72 I140K64-L68 PolarHBondContact O-N 2.89Å; E65-L68 WeakPolarHBondContact O-CB 3.35Å; E65-L68 PolarHBondContact O-N 2.85Å; E65-L68 VanDerWaalsContact O-N 3.13Å; L68-S71 WeakPolarHBondContact O-CB 3.4Å; L68-S71 PolarHBondContact O-N 3.19Å; L68-S71 VanDerWaalsContact O-N 3.16Å; L68-S71 PolarHBondContact O-OG 2.96Å; L68-L72 PolarHBondContact O-N 2.95Å; L68-I140 HydrophobicContact CD1-CD1 4.25Å; L68-I140 HydrophobicContact CD2-CD1 4.44Å; L68-I140 HydrophobicContact CG-CD1 4.42Å
69L73Confident78.9Confident8 Ų855.7 Ų55.74%0.04226%0.261CS..Hα-helixtrans-70.7-34.2-179.4-64.1177.5000113.5E65 A66 H67 S71 L72 I80 F162 I164E65-L69 HydrophobicContact CG-CD1 4.28Å; E65-L69 HydrophobicContact CG-CG 4.45Å; E65-L69 VanDerWaalsContact O-CG 3.3Å; E65-L69 WeakPolarHBondContact O-CG 3.24Å; E65-L69 PolarHBondContact O-N 2.92Å; A66-L69 PolarHBondContact O-N 3.49Å; H67-L69 VanDerWaalsContact C-N 3.27Å; H67-L69 PolarHBondContact O-N 3.28Å; L69-S71 PolarHBondContact O-N 3.01Å; L69-L72 HydrophobicContact CD2-CD1 3.83Å; L69-L72 PolarHBondContact O-N 2.95Å; L69-L72 VanDerWaalsContact O-N 3.14Å; L69-I80 HydrophobicContact CB-CD1 3.43Å; L69-I80 VanDerWaalsContact CB-CD1 3.43Å; L69-I80 HydrophobicContact CD1-CD1 3.85Å; L69-I80 HydrophobicContact CG-CD1 4.28Å; L69-F162 HydrophobicContact CD1-CB 4.01Å; L69-F162 HydrophobicContact CD1-CD2 4.48Å; L69-F162 HydrophobicContact CD1-CG 4.49Å; L69-F162 HydrophobicContact CD2-CB 3.5Å; L69-F162 VanDerWaalsContact CD2-CB 3.5Å; L69-F162 HydrophobicContact CD2-CD1 3.74Å; L69-F162 HydrophobicContact CD2-CD2 3.53Å; L69-F162 HydrophobicContact CD2-CE1 4.32Å; L69-F162 HydrophobicContact CD2-CE2 4.17Å; L69-F162 HydrophobicContact CD2-CG 3.3Å; L69-F162 HydrophobicContact CG-CB 4.4Å; L69-I164 HydrophobicContact CD1-CD1 3.18Å; L69-I164 HydrophobicContact CD1-CG1 3.31Å
70S79.6Confident80Confident42 Ų4253.2 Ų53.229%0.29425%0.25SC..Hα-helixtrans-64.7-23.6172.373.90000112.7A66 H67A66-S70 WeakPolarHBondContact O-CB 3.06Å; A66-S70 PolarHBondContact O-N 3.08Å; A66-S70 PolarHBondContact O-OG 3.46Å; H67-S70 WeakPolarHBondContact CA-OG 3.43Å; H67-S70 PolarHBondContact O-N 3.31Å; H67-S70 PolarHBondContact O-OG 3.34Å
71S81.9Confident80.8Confident64 Ų6449.4 Ų49.445%0.44824%0.238SC..Hα-helixtrans-77.8-20.3175.381.70000113.2H67 L68 L69 K73H67-S71 PolarHBondContact O-N 3.44Å; H67-S71 VanDerWaalsContact O-N 3.13Å; L68-S71 WeakPolarHBondContact O-CB 3.4Å; L68-S71 PolarHBondContact O-N 3.19Å; L68-S71 VanDerWaalsContact O-N 3.16Å; L68-S71 PolarHBondContact O-OG 2.96Å; L69-S71 PolarHBondContact O-N 3.01Å; S71-K73 PolarHBondContact O-N 2.98Å; S71-K73 VanDerWaalsContact O-N 3.17Å
72L84Confident81.7Confident8 Ų849.9 Ų49.94%0.04224%0.239CC..  trans-73.9110.1178.7-59.7-179.9000110.1L68 L69 I77 Y134 I140 F162L68-L72 PolarHBondContact O-N 2.95Å; L69-L72 HydrophobicContact CD2-CD1 3.83Å; L69-L72 PolarHBondContact O-N 2.95Å; L69-L72 VanDerWaalsContact O-N 3.14Å; L72-I77 HydrophobicContact CB-CG2 4.43Å; L72-Y134 HydrophobicContact CB-CE1 4.25Å; L72-Y134 HydrophobicContact CD2-CE1 3.81Å; L72-I140 HydrophobicContact CD1-CD1 4.21Å; L72-I140 HydrophobicContact CD2-CD1 3.48Å; L72-I140 VanDerWaalsContact CD2-CD1 3.48Å; L72-I140 HydrophobicContact CG-CD1 4.35Å; L72-F162 HydrophobicContact CD1-CD1 4.28Å; L72-F162 HydrophobicContact CD1-CE1 3.59Å; L72-F162 HydrophobicContact CD1-CE2 4.26Å; L72-F162 HydrophobicContact CD1-CZ 3.62Å
73K86.7Confident82.5Confident141 Ų14151.7 Ų51.761%0.61325%0.252SS*.  trans-115.4108.7175.4-63.7-179.2-176.4177.10106.7S71 Y134 H321S71-K73 PolarHBondContact O-N 2.98Å; S71-K73 VanDerWaalsContact O-N 3.17Å; K73-Y134 PolarHBondContact N-OH 3.41Å; K73-Y134 VanDerWaalsContact O-CZ 3.32Å; K73-Y134 PolarHBondContact O-OH 3.43Å; K73-H321 PolarHBondContact O-CE1 3.26Å; K73-H321 VanDerWaalsContact O-CE1 3.23Å; K73-H321 PolarHBondContact O-NE2 3.09Å
74H89.6Confident83.2Confident5 Ų549.5 Ų49.52%0.02324%0.241CC..  trans-155.6140.4173.7-179.2-89.9000109.8Y76 I77 A131 Y134 D317 H321H74-Y76 AromaticContact CE1-CD2 3.63Å; H74-Y76 PolarHBondContact ND1-N 2.95Å; H74-Y76 VanDerWaalsContact ND1-N 3.12Å; H74-Y76 PolarHBondContact O-N 3.35Å; H74-Y76 VanDerWaalsContact O-N 3.16Å; H74-I77 HydrophobicContact CB-CB 4Å; H74-I77 HydrophobicContact CB-CD1 3.75Å; H74-I77 HydrophobicContact CB-CG1 3.86Å; H74-I77 PolarHBondContact O-N 2.7Å; H74-A131 WeakPolarHBondContact CE1-CA 3.49Å; H74-A131 PolarHBondContact CE1-N 3.2Å; H74-Y134 HydrophobicContact CB-CD1 3.84Å; H74-Y134 HydrophobicContact CB-CE1 4.01Å; H74-Y134 HydrophobicContact CB-CG 4.12Å; H74-Y134 AromaticContact CD2-CG 3.84Å; H74-D317 IonicContact CD2-OD1 2.72Å; H74-D317 PolarHBondContact CD2-OD1 3.31Å; H74-D317 IonicContact NE2-OD1 3.84Å; H74-D317 PolarHBondContact NE2-OD1 3.2Å; H74-H321 PolarHBondContact N-CE1 3.07Å
75P90.8Very high83.8Confident7 Ų745.2 Ų45.25%0.04523%0.226CC..THydrogen-bonded Turntrans-50.6-41.4-177.424.3-42.7000114.6K158 L320 Q324P75-K158 PolarHBondContact O-NZ 3.25Å; P75-L320 HydrophobicContact CB-CB 3.97Å; P75-L320 HydrophobicContact CG-CB 3.48Å; P75-L320 VanDerWaalsContact CG-CB 3.48Å; P75-L320 HydrophobicContact CG-CD1 3.78Å; P75-L320 HydrophobicContact CG-CG 4.21Å; P75-Q324 PolarHBondContact O-NE2 3.17Å; P75-Q324 VanDerWaalsContact O-NE2 3.11Å
76Y94.7Very high84.4Confident9 Ų944.4 Ų44.44%0.03522%0.223CC..THydrogen-bonded Turntrans-10319.8-175.8-46.6-50.6000112.9H74 Q127 L130 N156 I157 K158 I159 L320H74-Y76 AromaticContact CE1-CD2 3.63Å; H74-Y76 PolarHBondContact ND1-N 2.95Å; H74-Y76 VanDerWaalsContact ND1-N 3.12Å; H74-Y76 PolarHBondContact O-N 3.35Å; H74-Y76 VanDerWaalsContact O-N 3.16Å; Y76-Q127 HydrophobicContact CD1-CB 3.99Å; Y76-Q127 HydrophobicContact CD1-CG 3.88Å; Y76-Q127 HydrophobicContact CD2-CB 3.67Å; Y76-Q127 HydrophobicContact CD2-CG 3.85Å; Y76-Q127 HydrophobicContact CE1-CB 4.28Å; Y76-Q127 HydrophobicContact CE1-CG 3.66Å; Y76-Q127 HydrophobicContact CE2-CB 3.98Å; Y76-Q127 HydrophobicContact CE2-CG 3.61Å; Y76-Q127 HydrophobicContact CG-CB 3.7Å; Y76-Q127 HydrophobicContact CG-CG 4Å; Y76-L130 HydrophobicContact CD2-CB 4.21Å; Y76-L130 HydrophobicContact CD2-CD1 4.35Å; Y76-L130 HydrophobicContact CE2-CB 4.49Å; Y76-L130 HydrophobicContact CE2-CD1 3.82Å; Y76-N156 HydrophobicContact CD1-CB 4.42Å; Y76-N156 HydrophobicContact CE1-CB 4.24Å; Y76-I157 WeakPolarHBondContact CA-O 3.39Å; Y76-I157 WeakPolarHBondContact CB-O 3.39Å; Y76-K158 CarbonylContact O-C 3.59Å; Y76-K158 WeakPolarHBondContact O-CA 3.25Å; Y76-I159 PolarHBondContact O-N 3.48Å; Y76-L320 HydrophobicContact CE2-CD1 3.65Å; Y76-L320 WeakPolarHBondContact OH-CD2 3.5Å
77I92.6Very high84.8Confident2 Ų252.9 Ų52.91%0.0126%0.26CS..BIsolated β-bridgetrans-113.3141.1167.3-65.9179.5000108L72 H74 R79 A131 Y134 M135 F162L72-I77 HydrophobicContact CB-CG2 4.43Å; H74-I77 HydrophobicContact CB-CB 4Å; H74-I77 HydrophobicContact CB-CD1 3.75Å; H74-I77 HydrophobicContact CB-CG1 3.86Å; H74-I77 PolarHBondContact O-N 2.7Å; I77-R79 PolarHBondContact O-N 3.44Å; I77-A131 HydrophobicContact CD1-CB 4.39Å; I77-A131 HydrophobicContact CG1-CB 3.86Å; I77-Y134 HydrophobicContact CD1-CD1 3.54Å; I77-Y134 HydrophobicContact CD1-CE1 4.01Å; I77-M135 HydrophobicContact CD1-CG 3.83Å; I77-M135 HydrophobicContact CD1-SD 4.47Å; I77-F162 HydrophobicContact CD1-CZ 4.24Å; I77-F162 HydrophobicContact CG1-CZ 4.45Å; I77-F162 HydrophobicContact CG2-CE2 3.61Å; I77-F162 HydrophobicContact CG2-CZ 3.5Å
78L92.5Very high85.1Confident18 Ų1848.6 Ų48.69%0.09424%0.242CC..  trans-64.9115.6177.9-174.674.4000109.6I80 E95 C97 F151 I159L78-I80 PolarHBondContact O-N 3.23Å; L78-E95 HydrophobicContact CD1-CG 3.57Å; L78-E95 HydrophobicContact CG-CG 4.35Å; L78-C97 WeakPolarHBondContact CD1-SG 3.42Å; L78-F151 HydrophobicContact CD2-CD2 4.38Å; L78-F151 HydrophobicContact CD2-CE2 4.27Å; L78-I159 WeakPolarHBondContact CB-O 3.41Å; L78-I159 PolarHBondContact N-O 2.79Å
79R90.9Very high85.6Confident120 Ų12048.7 Ų48.745%0.45324%0.237SC..  trans-69.3119.3178.9-175.1175.1179.3179.3-1110.4I77 S94 E95 D328I77-R79 PolarHBondContact O-N 3.44Å; R79-S94 CarbonylContact O-C 3.37Å; R79-S94 VanDerWaalsContact O-CA 3.24Å; R79-S94 WeakPolarHBondContact O-CA 3.46Å; R79-S94 WeakPolarHBondContact O-CB 3.33Å; R79-E95 HydrophobicContact CB-CB 4.44Å; R79-E95 HydrophobicContact CB-CG 4.16Å; R79-E95 VanDerWaalsContact CB-OE1 3.31Å; R79-E95 WeakPolarHBondContact CB-OE1 3.46Å; R79-E95 PolarHBondContact N-OE1 3.12Å; R79-E95 PolarHBondContact O-N 2.59Å; R79-D328 IonicContact NH1-OD2 2.91Å; R79-D328 PolarHBondContact NH1-OD2 2.78Å
80I89.1Confident86Confident18 Ų1848.4 Ų48.49%0.09224%0.235CC..EExtended strand (participates in β ladder)trans-90.2120.1168.1-63.4-179.9000107.8L69 L78 I92L69-I80 HydrophobicContact CB-CD1 3.43Å; L69-I80 VanDerWaalsContact CB-CD1 3.43Å; L69-I80 HydrophobicContact CD1-CD1 3.85Å; L69-I80 HydrophobicContact CG-CD1 4.28Å; L78-I80 PolarHBondContact O-N 3.23Å; I80-I92 HydrophobicContact CD1-CG2 4.01Å; I80-I92 HydrophobicContact CG1-CG2 4.2Å; I80-I92 HydrophobicContact CG2-CG2 3.74Å
81H87.9Confident86.4Confident64 Ų6446.4 Ų46.430%0.29622%0.221SC..EExtended strand (participates in β ladder)trans-80.4-46.7179.8-66.1-65.1000111.3V93 E95H81-V93 HydrophobicContact CB-CG1 4.24Å; H81-V93 PolarHBondContact N-O 2.63Å; H81-E95 PolarHBondContact CD2-N 3.13Å; H81-E95 PolarHBondContact NE2-N 3.07Å
82E86.2Confident86.6Confident58 Ų5843.9 Ų43.927%0.27120%0.202SC..EExtended strand (participates in β ladder)trans-163.5164.4-178.259.8-168.7101.300111R12 Y13 V93R12-E82 IonicContact CZ-OE1 3.6Å; R12-E82 IonicContact CZ-OE2 3.79Å; R12-E82 IonicContact NH1-OE1 3.69Å; R12-E82 PolarHBondContact NH1-OE1 3.13Å; R12-E82 IonicContact NH1-OE2 3.43Å; R12-E82 PolarHBondContact NH1-OE2 3.14Å; R12-E82 IonicContact NH2-OE1 2.84Å; R12-E82 PolarHBondContact NH2-OE1 3.31Å; Y13-E82 PolarHBondContact OH-OE1 3.17Å; E82-V93 HydrophobicContact CG-CB 3.76Å; E82-V93 HydrophobicContact CG-CG1 4.44Å; E82-V93 HydrophobicContact CG-CG2 3.74Å; E82-V93 PolarHBondContact N-O 3.16Å; E82-V93 PolarHBondContact O-N 3.31Å
83S85.2Confident86.9Confident42 Ų4243.5 Ų43.529%0.29420%0.2SC..EExtended strand (participates in β ladder)trans-136.2146.5170.160.40000110A66 C91A66-S83 VanDerWaalsContact CB-OG 3.28Å; A66-S83 WeakPolarHBondContact CB-OG 3.17Å; S83-C91 CarbonylContact C-O 3.49Å; S83-C91 WeakPolarHBondContact CA-O 3.17Å
84F85.3Confident87.2Confident40 Ų4037.4 Ų37.418%0.17518%0.176CC..EExtended strand (participates in β ladder)trans-151.9160.4178.356.9-92.5000110.7F9 Y13 L46 D86 C91 V93F9-F84 HydrophobicContact CD2-CE2 4.41Å; Y13-F84 HydrophobicContact CD2-CE1 4.34Å; Y13-F84 HydrophobicContact CD2-CZ 4.25Å; Y13-F84 AromaticContact CE2-CE1 3.85Å; Y13-F84 HydrophobicContact CE2-CE1 3.85Å; Y13-F84 HydrophobicContact CE2-CZ 4.22Å; L46-F84 HydrophobicContact CD1-CE1 4.26Å; L46-F84 HydrophobicContact CD1-CZ 3.98Å; F84-D86 HydrophobicContact CD2-CB 4.17Å; F84-D86 HydrophobicContact CE2-CB 4.01Å; F84-C91 HydrophobicContact CD1-CB 4.36Å; F84-C91 HydrophobicContact CD2-CB 3.75Å; F84-C91 HydrophobicContact CE1-CB 4.08Å; F84-C91 HydrophobicContact CE2-CB 3.41Å; F84-C91 VanDerWaalsContact CE2-CB 3.41Å; F84-C91 HydrophobicContact CG-CB 4.21Å; F84-C91 HydrophobicContact CZ-CB 3.59Å; F84-C91 PolarHBondContact N-O 3.48Å; F84-C91 WeakPolarHBondContact O-CA 3.26Å; F84-C91 WeakPolarHBondContact O-CB 3.26Å; F84-C91 PolarHBondContact O-N 2.81Å; F84-V93 HydrophobicContact CD1-CG2 4.39Å; F84-V93 HydrophobicContact CE1-CG2 3.62Å
85V82.6Confident87.3Confident48 Ų4837.8 Ų37.829%0.29118%0.177SC..EExtended strand (participates in β ladder)trans-98.8123170.6177.60000108.9L51 Q59 R89 F90L51-V85 HydrophobicContact CD1-CG1 4.04Å; L51-V85 HydrophobicContact CD1-CG2 4.23Å; Q59-V85 HydrophobicContact CG-CG2 4.15Å; V85-R89 WeakPolarHBondContact CA-O 3.49Å; V85-F90 HydrophobicContact CG2-CD2 3.83Å; V85-F90 HydrophobicContact CG2-CE2 4.48Å
86D81.1Confident87.4Confident20 Ų2040.3 Ų40.311%0.10719%0.186CC..EExtended strand (participates in β ladder)trans-114.8108.3171.3175.455000109.6F84 N88 R89F84-D86 HydrophobicContact CD2-CB 4.17Å; F84-D86 HydrophobicContact CE2-CB 4.01Å; D86-N88 PolarHBondContact O-N 2.7Å; D86-N88 VanDerWaalsContact O-N 3.17Å; D86-R89 PolarHBondContact N-O 2.74Å; D86-R89 PolarHBondContact O-N 3.47Å; D86-R89 VanDerWaalsContact O-N 3.11Å; D86-R89 IonicContact OD2-CZ 3.38Å; D86-R89 IonicContact OD2-NH2 2.87Å; D86-R89 PolarHBondContact OD2-NH2 2.8Å
87K79.9Confident87.4Confident179 Ų17940.4 Ų40.478%0.77819%0.188SC*.THydrogen-bonded Turntrans60.1-109.5-172.9-51.5178.2-178.5-175.70110.6
88N80.4Confident87.4Confident47 Ų4744.7 Ų44.725%0.25121%0.208SC..THydrogen-bonded Turntrans-114.736.4179.1-16228.6000110.8L51 D53 D86L51-N88 WeakPolarHBondContact CB-OD1 3.48Å; L51-N88 PolarHBondContact N-O 2.66Å; L51-N88 PolarHBondContact O-ND2 2.78Å; L51-N88 PolarHBondContact O-OD1 2.84Å; D53-N88 PolarHBondContact OD1-ND2 2.92Å; D86-N88 PolarHBondContact O-N 2.7Å; D86-N88 VanDerWaalsContact O-N 3.17Å
89R83Confident87.3Confident83 Ų8345.6 Ų45.631%0.31322%0.222SC..EExtended strand (participates in β ladder)trans-134128.1179.4-61.3177.2-64.8-178.14.1110.5I49 V85 D86I49-R89 CarbonylContact O-C 3.34Å; I49-R89 WeakPolarHBondContact O-CA 3.48Å; V85-R89 WeakPolarHBondContact CA-O 3.49Å; D86-R89 PolarHBondContact N-O 2.74Å; D86-R89 PolarHBondContact O-N 3.47Å; D86-R89 VanDerWaalsContact O-N 3.11Å; D86-R89 IonicContact OD2-CZ 3.38Å; D86-R89 IonicContact OD2-NH2 2.87Å; D86-R89 PolarHBondContact OD2-NH2 2.8Å
90F82.9Confident87.5Confident1 Ų141.1 Ų41.10%0.00421%0.213CC..EExtended strand (participates in β ladder)trans-82.3122.7167.5-170-108.6000109.1C48 I49 L51 H62 E63 A66 V85 I92C48-F90 WeakPolarHBondContact CA-O 3.32Å; I49-F90 HydrophobicContact CB-CB 4.41Å; I49-F90 HydrophobicContact CD1-CD1 4.48Å; I49-F90 PolarHBondContact N-O 3.29Å; I49-F90 PolarHBondContact O-N 2.87Å; L51-F90 HydrophobicContact CD1-CB 4.15Å; L51-F90 HydrophobicContact CD2-CB 3.93Å; L51-F90 HydrophobicContact CG-CB 4.08Å; H62-F90 HydrophobicContact CB-CD1 4.29Å; H62-F90 HydrophobicContact CB-CD2 4.05Å; H62-F90 HydrophobicContact CB-CE1 4.1Å; H62-F90 HydrophobicContact CB-CE2 3.88Å; H62-F90 HydrophobicContact CB-CG 4.26Å; H62-F90 HydrophobicContact CB-CZ 3.9Å; H62-F90 WeakPolarHBondContact O-CZ 3.3Å; E63-F90 HydrophobicContact CG-CE2 4.19Å; A66-F90 HydrophobicContact CB-CE1 4.06Å; A66-F90 HydrophobicContact CB-CZ 3.56Å; V85-F90 HydrophobicContact CG2-CD2 3.83Å; V85-F90 HydrophobicContact CG2-CE2 4.48Å; F90-I92 HydrophobicContact CD1-CD1 4.21Å; F90-I92 HydrophobicContact CD1-CG1 3.93Å; F90-I92 HydrophobicContact CE1-CD1 3.81Å; F90-I92 HydrophobicContact CE1-CG1 3.59Å
91C86.8Confident87.7Confident0 Ų041.6 Ų41.60%022%0.216CC..EExtended strand (participates in β ladder)trans-114.8128.8-174.8-68.10000109.7L46 K47 C48 S83 F84L46-C91 HydrophobicContact CD1-CB 4.01Å; K47-C91 CarbonylContact O-C 3.5Å; K47-C91 VanDerWaalsContact O-CA 3.26Å; K47-C91 WeakPolarHBondContact O-CA 3.44Å; C48-C91 PolarHBondContact SG-SG 3.01Å; S83-C91 CarbonylContact C-O 3.49Å; S83-C91 WeakPolarHBondContact CA-O 3.17Å; F84-C91 HydrophobicContact CD1-CB 4.36Å; F84-C91 HydrophobicContact CD2-CB 3.75Å; F84-C91 HydrophobicContact CE1-CB 4.08Å; F84-C91 HydrophobicContact CE2-CB 3.41Å; F84-C91 VanDerWaalsContact CE2-CB 3.41Å; F84-C91 HydrophobicContact CG-CB 4.21Å; F84-C91 HydrophobicContact CZ-CB 3.59Å; F84-C91 PolarHBondContact N-O 3.48Å; F84-C91 WeakPolarHBondContact O-CA 3.26Å; F84-C91 WeakPolarHBondContact O-CB 3.26Å; F84-C91 PolarHBondContact O-N 2.81Å
92I87.3Confident88Confident11 Ų1138.5 Ų38.56%0.05620%0.202CC..EExtended strand (participates in β ladder)trans-117125.5175.4-54174000108L46 K47 I80 F90 I164L46-I92 WeakPolarHBondContact CA-O 3.29Å; K47-I92 PolarHBondContact N-O 3.11Å; K47-I92 PolarHBondContact O-N 3.09Å; I80-I92 HydrophobicContact CD1-CG2 4.01Å; I80-I92 HydrophobicContact CG1-CG2 4.2Å; I80-I92 HydrophobicContact CG2-CG2 3.74Å; F90-I92 HydrophobicContact CD1-CD1 4.21Å; F90-I92 HydrophobicContact CD1-CG1 3.93Å; F90-I92 HydrophobicContact CE1-CD1 3.81Å; F90-I92 HydrophobicContact CE1-CG1 3.59Å; I92-I164 HydrophobicContact CD1-CD1 3.53Å
93V90.4Very high88.4Confident0 Ų037 Ų370%020%0.197CC..EExtended strand (participates in β ladder)trans-101119.3175-176.20000108.2Y13 K44 A45 L46 H81 E82 F84Y13-V93 HydrophobicContact CE1-CG1 4.21Å; Y13-V93 HydrophobicContact CE1-CG2 4.47Å; Y13-V93 HydrophobicContact CE2-CG2 3.91Å; K44-V93 HydrophobicContact CB-CG1 3.92Å; K44-V93 HydrophobicContact CD-CG1 3.54Å; K44-V93 HydrophobicContact CG-CG1 4.28Å; A45-V93 CarbonylContact O-C 3.48Å; A45-V93 WeakPolarHBondContact O-CA 3.34Å; L46-V93 HydrophobicContact CD1-CG2 3.67Å; H81-V93 HydrophobicContact CB-CG1 4.24Å; H81-V93 PolarHBondContact N-O 2.63Å; E82-V93 HydrophobicContact CG-CB 3.76Å; E82-V93 HydrophobicContact CG-CG1 4.44Å; E82-V93 HydrophobicContact CG-CG2 3.74Å; E82-V93 PolarHBondContact N-O 3.16Å; E82-V93 PolarHBondContact O-N 3.31Å; F84-V93 HydrophobicContact CD1-CG2 4.39Å; F84-V93 HydrophobicContact CE1-CG2 3.62Å
94S91.3Very high88.8Confident14 Ų1438.6 Ų38.610%0.09820%0.202CC..EExtended strand (participates in β ladder)trans-121.3169.5175.370.20000111.4K44 A45 R79K44-S94 WeakPolarHBondContact CB-O 3.49Å; A45-S94 PolarHBondContact N-O 3Å; A45-S94 PolarHBondContact O-N 3.29Å; R79-S94 CarbonylContact O-C 3.37Å; R79-S94 VanDerWaalsContact O-CA 3.24Å; R79-S94 WeakPolarHBondContact O-CA 3.46Å; R79-S94 WeakPolarHBondContact O-CB 3.33Å
95E91.6Very high89.3Confident12 Ų1239.7 Ų39.76%0.05621%0.205CC..EExtended strand (participates in β ladder)trans-57.2149.9165.566.9179.8130.900110.4L78 R79 H81 K153 K158L78-E95 HydrophobicContact CD1-CG 3.57Å; L78-E95 HydrophobicContact CG-CG 4.35Å; R79-E95 HydrophobicContact CB-CB 4.44Å; R79-E95 HydrophobicContact CB-CG 4.16Å; R79-E95 VanDerWaalsContact CB-OE1 3.31Å; R79-E95 WeakPolarHBondContact CB-OE1 3.46Å; R79-E95 PolarHBondContact N-OE1 3.12Å; R79-E95 PolarHBondContact O-N 2.59Å; H81-E95 PolarHBondContact CD2-N 3.13Å; H81-E95 PolarHBondContact NE2-N 3.07Å; E95-K153 VanDerWaalsContact OE2-CD 3.24Å; E95-K153 WeakPolarHBondContact OE2-CD 3.42Å; E95-K153 WeakPolarHBondContact OE2-CE 3.5Å; E95-K153 IonicContact OE2-NZ 3.99Å; E95-K153 PolarHBondContact OE2-NZ 3.38Å; E95-K158 VanDerWaalsContact CD-CE 3.43Å; E95-K158 VanDerWaalsContact OE1-CD 3.3Å; E95-K158 WeakPolarHBondContact OE1-CD 3.44Å; E95-K158 VanDerWaalsContact OE1-CE 3.24Å; E95-K158 WeakPolarHBondContact OE1-CE 3.49Å; E95-K158 IonicContact OE1-NZ 3.49Å; E95-K158 PolarHBondContact OE1-NZ 3.17Å; E95-K158 WeakPolarHBondContact OE2-CE 3.27Å; E95-K158 IonicContact OE2-NZ 4Å; E95-K158 PolarHBondContact OE2-NZ 3.29Å
96Y93.7Very high90Very high61 Ų6137.9 Ų37.924%0.23919%0.194CC..  trans-87.9131.3173.3174.9-121.1000110.1L19 L29 L43 E98L19-Y96 HydrophobicContact CD1-CD2 4.1Å; L19-Y96 HydrophobicContact CD1-CE2 4Å; L19-Y96 HydrophobicContact CD2-CE2 4.01Å; L29-Y96 HydrophobicContact CD1-CD1 3.95Å; L29-Y96 HydrophobicContact CD1-CD2 3.6Å; L29-Y96 HydrophobicContact CD1-CE1 4.12Å; L29-Y96 HydrophobicContact CD1-CE2 3.79Å; L29-Y96 HydrophobicContact CD1-CG 3.68Å; L43-Y96 HydrophobicContact CB-CD1 4.23Å; L43-Y96 HydrophobicContact CD1-CD1 4.41Å; Y96-E98 HydrophobicContact CD1-CB 4.46Å; Y96-E98 HydrophobicContact CE1-CB 3.78Å
97C93.7Very high90.6Very high11 Ų1143.2 Ų43.27%0.07422%0.216CC..  trans-109.3103.2174.5-61.90000109.4L78 G99 G100 F151 L152 K153L78-C97 WeakPolarHBondContact CD1-SG 3.42Å; C97-G99 VanDerWaalsContact C-N 3.27Å; C97-G99 PolarHBondContact O-N 2.77Å; C97-G100 PolarHBondContact O-N 3.26Å; C97-G100 VanDerWaalsContact O-N 3.16Å; C97-F151 HydrophobicContact CB-CB 3.68Å; C97-F151 HydrophobicContact CB-CG 4.45Å; C97-L152 CarbonylContact C-O 3.51Å; C97-L152 WeakPolarHBondContact CB-O 3.47Å; C97-K153 HydrophobicContact CB-CB 4.33Å
98E92.6Very high91.3Very high91 Ų9139.9 Ų39.943%0.42520%0.203SC..THydrogen-bonded Turntrans-67.1-23.6-172.469.1-69.7158.800114.4Y96 G100 K153 N154Y96-E98 HydrophobicContact CD1-CB 4.46Å; Y96-E98 HydrophobicContact CE1-CB 3.78Å; E98-G100 PolarHBondContact O-N 3.04Å; E98-K153 WeakPolarHBondContact OE1-CA 3.48Å; E98-K153 WeakPolarHBondContact OE2-CG 3.44Å; E98-N154 PolarHBondContact OE1-N 3.17Å; E98-N154 PolarHBondContact OE1-OD1 2.71Å
99G92.3Very high92Very high37 Ų3737.9 Ų37.938%0.38119%0.193SC..THydrogen-bonded Turntrans-77.2-6.5175.800000114.2C97 L152C97-G99 VanDerWaalsContact C-N 3.27Å; C97-G99 PolarHBondContact O-N 2.77Å; G99-L152 WeakPolarHBondContact CA-O 3.26Å; G99-L152 PolarHBondContact N-O 3.07Å
100G93.3Very high92.5Very high27 Ų2739.7 Ų39.728%0.27820%0.203SC..  trans67-159.3-175.200000112.5C97 E98 F151 L152C97-G100 PolarHBondContact O-N 3.26Å; C97-G100 VanDerWaalsContact O-N 3.16Å; E98-G100 PolarHBondContact O-N 3.04Å; G100-F151 CarbonylContact O-C 3.4Å; G100-F151 VanDerWaalsContact O-CA 3.25Å; G100-F151 WeakPolarHBondContact O-CA 3.47Å; G100-L152 PolarHBondContact O-N 3.29Å
101D94Very high93Very high27 Ų2744.4 Ų44.414%0.14424%0.236CC..BIsolated β-bridgetrans-90.2157.5178.463.185000113.5T103 N104 Y105 I150 F151D101-T103 VanDerWaalsContact C-N 3.26Å; D101-T103 PolarHBondContact O-N 3.46Å; D101-T103 WeakPolarHBondContact OD1-CA 3.34Å; D101-T103 WeakPolarHBondContact OD1-CB 3.33Å; D101-T103 PolarHBondContact OD1-N 3.01Å; D101-N104 PolarHBondContact O-N 3.22Å; D101-N104 PolarHBondContact OD1-N 2.94Å; D101-N104 PolarHBondContact OD2-ND2 3.22Å; D101-Y105 PolarHBondContact O-N 2.89Å; D101-I150 CarbonylContact C-O 3.54Å; D101-I150 VanDerWaalsContact CA-O 3.25Å; D101-I150 WeakPolarHBondContact CA-O 3.05Å; D101-F151 HydrophobicContact CB-CD1 4.15Å; D101-F151 HydrophobicContact CB-CE1 4.16Å
102L95.2Very high93.4Very high0 Ų050.9 Ų50.90%026%0.264CS..Hα-helixtrans-63-27.3179.3-73.4-176000113.2Y105 L106 W124 T147 I150 L152 L211L102-Y105 HydrophobicContact CD2-CD1 4.43Å; L102-Y105 PolarHBondContact O-N 3.45Å; L102-L106 WeakPolarHBondContact O-CB 3.28Å; L102-L106 WeakPolarHBondContact O-CG 3.43Å; L102-L106 PolarHBondContact O-N 3.47Å; L102-W124 HydrophobicContact CD2-CE3 4.15Å; L102-W124 HydrophobicContact CD2-CH2 4.1Å; L102-W124 HydrophobicContact CD2-CZ3 3.75Å; L102-T147 WeakPolarHBondContact CA-O 3.35Å; L102-T147 HydrophobicContact CB-CG2 4.33Å; L102-T147 WeakPolarHBondContact CB-O 3.25Å; L102-T147 PolarHBondContact N-O 2.81Å; L102-T147 VanDerWaalsContact N-O 3.1Å; L102-I150 HydrophobicContact CB-CB 4.43Å; L102-I150 HydrophobicContact CD1-CB 3.67Å; L102-I150 HydrophobicContact CD1-CG1 4.31Å; L102-I150 HydrophobicContact CD1-CG2 3.45Å; L102-I150 VanDerWaalsContact CD1-CG2 3.45Å; L102-I150 HydrophobicContact CG-CB 3.92Å; L102-I150 HydrophobicContact CG-CG2 3.83Å; L102-I150 PolarHBondContact N-O 3.27Å; L102-L152 HydrophobicContact CD2-CD1 3.87Å; L102-L152 HydrophobicContact CD2-CD2 3.89Å; L102-L152 HydrophobicContact CD2-CG 3.85Å; L102-L211 HydrophobicContact CD1-CD2 4.16Å; L102-L211 HydrophobicContact CD2-CD2 4.45Å
103T93.7Very high93.6Very high26 Ų2653.2 Ų53.216%0.1629%0.291CS..Hα-helixtrans-62.2-47.4175.8-61.70000110.3D101 K107 T147 S148D101-T103 VanDerWaalsContact C-N 3.26Å; D101-T103 PolarHBondContact O-N 3.46Å; D101-T103 WeakPolarHBondContact OD1-CA 3.34Å; D101-T103 WeakPolarHBondContact OD1-CB 3.33Å; D101-T103 PolarHBondContact OD1-N 3.01Å; T103-K107 WeakPolarHBondContact O-CG 3.07Å; T103-K107 PolarHBondContact O-N 2.87Å; T103-K107 VanDerWaalsContact O-N 3.11Å; T103-T147 PolarHBondContact N-O 2.73Å; T103-T147 VanDerWaalsContact N-O 3.09Å; T103-T147 VanDerWaalsContact OG1-C 3.27Å; T103-T147 PolarHBondContact OG1-OG1 3.23Å; T103-S148 WeakPolarHBondContact OG1-CA 3.27Å; T103-S148 PolarHBondContact OG1-N 3.49Å
104N94Very high93.8Very high75 Ų7558 Ų5840%0.40131%0.313SS..Hα-helixtrans-68.8-38.6178.2-75.3-35.4000112D101 K107 Q108D101-N104 PolarHBondContact O-N 3.22Å; D101-N104 PolarHBondContact OD1-N 2.94Å; D101-N104 PolarHBondContact OD2-ND2 3.22Å; N104-K107 PolarHBondContact O-N 3.23Å; N104-Q108 WeakPolarHBondContact O-CG 3.4Å; N104-Q108 PolarHBondContact O-N 2.98Å; N104-Q108 VanDerWaalsContact O-N 3.1Å
105Y95.7Very high93.8Very high63 Ų6363.5 Ų63.525%0.24733%0.332CS..Hα-helixtrans-59.5-49.5173.3-179.9-94000112.2D101 L102 K107 Q108 V109 I116 W124 L152D101-Y105 PolarHBondContact O-N 2.89Å; L102-Y105 HydrophobicContact CD2-CD1 4.43Å; L102-Y105 PolarHBondContact O-N 3.45Å; Y105-K107 VanDerWaalsContact C-N 3.31Å; Y105-K107 PolarHBondContact O-N 3.41Å; Y105-Q108 WeakPolarHBondContact O-CB 3.3Å; Y105-Q108 PolarHBondContact O-N 3.02Å; Y105-V109 HydrophobicContact CD1-CG2 4Å; Y105-V109 HydrophobicContact CE1-CG2 3.5Å; Y105-V109 HydrophobicContact CE2-CG2 4.3Å; Y105-V109 WeakPolarHBondContact O-CG2 3.24Å; Y105-V109 PolarHBondContact O-N 3Å; Y105-I116 HydrophobicContact CD1-CD1 4.37Å; Y105-I116 HydrophobicContact CE1-CD1 3.7Å; Y105-I116 HydrophobicContact CE1-CG1 4.2Å; Y105-W124 AromaticContact CD1-CH2 3.96Å; Y105-W124 HydrophobicContact CD1-CH2 3.96Å; Y105-W124 HydrophobicContact CD1-CZ3 4.21Å; Y105-W124 AromaticContact CE1-CH2 3.46Å; Y105-W124 HydrophobicContact CE1-CH2 3.46Å; Y105-W124 VanDerWaalsContact CE1-CH2 3.46Å; Y105-W124 AromaticContact CE1-CZ3 3.86Å; Y105-W124 HydrophobicContact CE1-CZ3 3.86Å; Y105-W124 HydrophobicContact CE2-CH2 4.42Å; Y105-W124 AromaticContact CZ-CH2 3.72Å; Y105-L152 HydrophobicContact CD1-CD1 4.41Å; Y105-L152 HydrophobicContact CD2-CD1 3.62Å; Y105-L152 HydrophobicContact CE2-CD1 4.21Å; Y105-L152 HydrophobicContact CG-CD1 3.74Å
106L96.2Very high94.1Very high11 Ų1163.3 Ų63.36%0.05833%0.331CS..Hα-helixtrans-63.4-36.1179.9-70.7169.7000112.4L102 Q108 K110 I116 T147 E210 L211 Q214L102-L106 WeakPolarHBondContact O-CB 3.28Å; L102-L106 WeakPolarHBondContact O-CG 3.43Å; L102-L106 PolarHBondContact O-N 3.47Å; L106-Q108 VanDerWaalsContact C-N 3.34Å; L106-K110 WeakPolarHBondContact O-CB 3.46Å; L106-K110 PolarHBondContact O-N 3.13Å; L106-I116 HydrophobicContact CD2-CD1 3.7Å; L106-T147 HydrophobicContact CD1-CG2 3.9Å; L106-E210 HydrophobicContact CD1-CB 4.16Å; L106-L211 HydrophobicContact CD2-CD2 4.11Å; L106-Q214 HydrophobicContact CD2-CG 3.93Å
107K94.9Very high94.2Very high131 Ų13163.2 Ų63.257%0.5734%0.34SS*.Hα-helixtrans-60.6-43.1171.6-75.8174.2-178.3175.30111.7T103 N104 Y105 S111T103-K107 WeakPolarHBondContact O-CG 3.07Å; T103-K107 PolarHBondContact O-N 2.87Å; T103-K107 VanDerWaalsContact O-N 3.11Å; N104-K107 PolarHBondContact O-N 3.23Å; Y105-K107 VanDerWaalsContact C-N 3.31Å; Y105-K107 PolarHBondContact O-N 3.41Å; K107-S111 WeakPolarHBondContact O-CB 3.24Å; K107-S111 PolarHBondContact O-N 2.88Å; K107-S111 PolarHBondContact O-OG 2.87Å
108Q94.7Very high94.3Very high109 Ų10965 Ų6551%0.50935%0.347SS..Hα-helixtrans-65.3-49.7178.3-69172.731.300111.5N104 Y105 L106 K110 S111 K112N104-Q108 WeakPolarHBondContact O-CG 3.4Å; N104-Q108 PolarHBondContact O-N 2.98Å; N104-Q108 VanDerWaalsContact O-N 3.1Å; Y105-Q108 WeakPolarHBondContact O-CB 3.3Å; Y105-Q108 PolarHBondContact O-N 3.02Å; L106-Q108 VanDerWaalsContact C-N 3.34Å; Q108-K110 VanDerWaalsContact C-N 3.32Å; Q108-K110 PolarHBondContact O-N 3.45Å; Q108-S111 PolarHBondContact O-N 2.87Å; Q108-S111 VanDerWaalsContact O-N 3.15Å; Q108-S111 PolarHBondContact O-OG 3.49Å; Q108-K112 WeakPolarHBondContact O-CG 3.31Å; Q108-K112 PolarHBondContact O-N 3.27Å; Q108-K112 VanDerWaalsContact O-N 3.12Å
109V94.6Very high94.5Very high6 Ų668 Ų684%0.03636%0.359CS..Hα-helixtrans-56-47.3176.3173.20000110.9Y105 S111 K112 G113 E114 I116 Q214Y105-V109 HydrophobicContact CD1-CG2 4Å; Y105-V109 HydrophobicContact CE1-CG2 3.5Å; Y105-V109 HydrophobicContact CE2-CG2 4.3Å; Y105-V109 WeakPolarHBondContact O-CG2 3.24Å; Y105-V109 PolarHBondContact O-N 3Å; V109-S111 PolarHBondContact O-N 3.17Å; V109-K112 PolarHBondContact O-N 2.8Å; V109-G113 PolarHBondContact O-N 3.49Å; V109-E114 HydrophobicContact CG1-CB 3.95Å; V109-E114 WeakPolarHBondContact CG1-O 3.34Å; V109-E114 PolarHBondContact O-N 3.16Å; V109-E114 VanDerWaalsContact O-N 3.09Å; V109-I116 HydrophobicContact CG1-CG1 4.17Å; V109-Q214 HydrophobicContact CG1-CG 4.42Å
110K93.5Very high94.6Very high121 Ų12169.3 Ų69.353%0.52636%0.356SS..Hα-helixtrans-60.8-41.8177.1-174.5177-176.9171.70112.6L106 Q108 K112 G113 Q214L106-K110 WeakPolarHBondContact O-CB 3.46Å; L106-K110 PolarHBondContact O-N 3.13Å; Q108-K110 VanDerWaalsContact C-N 3.32Å; Q108-K110 PolarHBondContact O-N 3.45Å; K110-K112 VanDerWaalsContact C-N 3.25Å; K110-K112 PolarHBondContact O-N 3.47Å; K110-G113 PolarHBondContact O-N 2.86Å; K110-G113 VanDerWaalsContact O-N 3.1Å; K110-Q214 HydrophobicContact CB-CB 4.13Å; K110-Q214 HydrophobicContact CD-CB 4.37Å; K110-Q214 HydrophobicContact CG-CB 4.46Å; K110-Q214 PolarHBondContact NZ-O 2.83Å
111S94Very high94.9Very high99 Ų9968 Ų6869%0.69234%0.343SS*.Hα-helixtrans-65.2-28.9179.272.20000113.3K107 Q108 V109 G113K107-S111 WeakPolarHBondContact O-CB 3.24Å; K107-S111 PolarHBondContact O-N 2.88Å; K107-S111 PolarHBondContact O-OG 2.87Å; Q108-S111 PolarHBondContact O-N 2.87Å; Q108-S111 VanDerWaalsContact O-N 3.15Å; Q108-S111 PolarHBondContact O-OG 3.49Å; V109-S111 PolarHBondContact O-N 3.17Å; S111-G113 VanDerWaalsContact C-N 3.32Å
112K94.5Very high95Very high136 Ų13666.8 Ų66.859%0.59134%0.336SS*.THydrogen-bonded Turntrans-83.8-7.4175-64.7177.6-177.8-179.60113.3Q108 V109 K110 E114Q108-K112 WeakPolarHBondContact O-CG 3.31Å; Q108-K112 PolarHBondContact O-N 3.27Å; Q108-K112 VanDerWaalsContact O-N 3.12Å; V109-K112 PolarHBondContact O-N 2.8Å; K110-K112 VanDerWaalsContact C-N 3.25Å; K110-K112 PolarHBondContact O-N 3.47Å; K112-E114 HydrophobicContact CB-CB 4.38Å; K112-E114 HydrophobicContact CB-CG 3.83Å; K112-E114 PolarHBondContact O-N 3.33Å
113G92.1Very high95.1Very high61 Ų6168.3 Ų68.363%0.62934%0.343SS*.THydrogen-bonded Turntrans6916.5-172.900000113.6V109 K110 S111V109-G113 PolarHBondContact O-N 3.49Å; K110-G113 PolarHBondContact O-N 2.86Å; K110-G113 VanDerWaalsContact O-N 3.1Å; S111-G113 VanDerWaalsContact C-N 3.32Å
114E93.4Very high95.2Very high100 Ų10067.5 Ų67.547%0.46734%0.337SS..  trans-82.6163.9-179.1-71170.8-177.600111.1V109 K112V109-E114 HydrophobicContact CG1-CB 3.95Å; V109-E114 WeakPolarHBondContact CG1-O 3.34Å; V109-E114 PolarHBondContact O-N 3.16Å; V109-E114 VanDerWaalsContact O-N 3.09Å; K112-E114 HydrophobicContact CB-CB 4.38Å; K112-E114 HydrophobicContact CB-CG 3.83Å; K112-E114 PolarHBondContact O-N 3.33Å
115R93.1Very high95.4Very high130 Ų13064 Ų6449%0.49132%0.318SS..  trans-123.3148.5170.6-66.7-67.9-172.9-117.2-12.4108.9I241R115-I241 HydrophobicContact CB-CD1 4.36Å; R115-I241 HydrophobicContact CG-CD1 4.11Å
116I96.2Very high95.5Very high7 Ų761 Ų614%0.03631%0.307CS..  trans-82.9132.5175.2-50.7175.5000107.5Y105 L106 V109 I120 I121 W124 L211 Y242Y105-I116 HydrophobicContact CD1-CD1 4.37Å; Y105-I116 HydrophobicContact CE1-CD1 3.7Å; Y105-I116 HydrophobicContact CE1-CG1 4.2Å; L106-I116 HydrophobicContact CD2-CD1 3.7Å; V109-I116 HydrophobicContact CG1-CG1 4.17Å; I116-I120 HydrophobicContact CG2-CB 3.84Å; I116-I120 HydrophobicContact CG2-CG2 3.74Å; I116-I121 HydrophobicContact CB-CD1 4.12Å; I116-I121 HydrophobicContact CB-CG1 4Å; I116-I121 HydrophobicContact CG2-CD1 4.34Å; I116-I121 HydrophobicContact CG2-CG1 3.67Å; I116-W124 HydrophobicContact CD1-CZ3 4.1Å; I116-L211 HydrophobicContact CD1-CD2 4.13Å; I116-Y242 WeakPolarHBondContact O-CE1 3.32Å; I116-Y242 PolarHBondContact O-OH 2.97Å
117S96.3Very high95.4Very high60 Ų6060.5 Ų60.542%0.4230%0.304SS..  trans-68.3146.8177.765.40000111.1K119 I120 I121S117-K119 PolarHBondContact O-N 3.38Å; S117-K119 VanDerWaalsContact O-N 3.16Å; S117-I120 PolarHBondContact O-N 3.05Å; S117-I120 WeakPolarHBondContact OG-CG1 3.24Å; S117-I121 WeakPolarHBondContact O-CG1 3.32Å; S117-I121 PolarHBondContact O-N 2.95Å
118E97Very high95.6Very high48 Ų4854.3 Ų54.322%0.22428%0.277CS..Hα-helixtrans-55.7-34.5177.7-174163.2133.700112.6I120 I121 G122 Y242 S243 L246 Y276E118-I120 VanDerWaalsContact C-N 3.34Å; E118-I120 PolarHBondContact O-N 3.38Å; E118-I121 PolarHBondContact O-N 3.49Å; E118-G122 PolarHBondContact O-N 3.37Å; E118-Y242 HydrophobicContact CB-CD1 4.2Å; E118-Y242 VanDerWaalsContact OE2-CA 3.3Å; E118-Y242 WeakPolarHBondContact OE2-CA 3.3Å; E118-S243 VanDerWaalsContact CD-OG 3.28Å; E118-S243 WeakPolarHBondContact OE1-CB 3.29Å; E118-S243 PolarHBondContact OE1-OG 2.86Å; E118-S243 PolarHBondContact OE2-N 3.23Å; E118-S243 PolarHBondContact OE2-OG 3.16Å; E118-L246 HydrophobicContact CG-CD2 4.24Å; E118-Y276 HydrophobicContact CG-CE1 4.4Å; E118-Y276 VanDerWaalsContact CG-OH 3.28Å; E118-Y276 WeakPolarHBondContact CG-OH 3.48Å; E118-Y276 PolarHBondContact OE1-OH 2.8Å
119K95.1Very high95.6Very high155 Ų15549.1 Ų49.167%0.67425%0.253SS*.Hα-helixtrans-57.3-44.5174.9-174.6179.7178.7-176.70112.4S117 K123S117-K119 PolarHBondContact O-N 3.38Å; S117-K119 VanDerWaalsContact O-N 3.16Å; K119-K123 WeakPolarHBondContact O-CB 3.37Å; K119-K123 PolarHBondContact O-N 2.71Å; K119-K123 VanDerWaalsContact O-N 3.08Å
120I96.1Very high95.7Very high64 Ų6448.9 Ų48.933%0.32825%0.251SS..Hα-helixtrans-71.6-41.6178.5-65.2171.3000110.2I116 S117 E118 K123 W124I116-I120 HydrophobicContact CG2-CB 3.84Å; I116-I120 HydrophobicContact CG2-CG2 3.74Å; S117-I120 PolarHBondContact O-N 3.05Å; S117-I120 WeakPolarHBondContact OG-CG1 3.24Å; E118-I120 VanDerWaalsContact C-N 3.34Å; E118-I120 PolarHBondContact O-N 3.38Å; I120-K123 WeakPolarHBondContact O-CB 3.46Å; I120-K123 PolarHBondContact O-N 3.03Å; I120-W124 HydrophobicContact CG2-CD2 3.86Å; I120-W124 HydrophobicContact CG2-CE3 4.16Å; I120-W124 HydrophobicContact CG2-CG 4.48Å; I120-W124 HydrophobicContact CG2-CH2 4.01Å; I120-W124 HydrophobicContact CG2-CZ2 3.67Å; I120-W124 HydrophobicContact CG2-CZ3 4.24Å; I120-W124 PolarHBondContact O-N 3.26Å
121I97.6Very high95.7Very high0 Ų043.1 Ų43.10%023%0.226CC..Hα-helixtrans-60.6-47.2177.3-63.4176.6000110.7I116 S117 E118 K123 W124 L125 L208 L211 C212 Y242 L246I116-I121 HydrophobicContact CB-CD1 4.12Å; I116-I121 HydrophobicContact CB-CG1 4Å; I116-I121 HydrophobicContact CG2-CD1 4.34Å; I116-I121 HydrophobicContact CG2-CG1 3.67Å; S117-I121 WeakPolarHBondContact O-CG1 3.32Å; S117-I121 PolarHBondContact O-N 2.95Å; E118-I121 PolarHBondContact O-N 3.49Å; I121-K123 PolarHBondContact O-N 3.46Å; I121-W124 PolarHBondContact O-N 3.24Å; I121-L125 VanDerWaalsContact O-CB 3.27Å; I121-L125 WeakPolarHBondContact O-CB 3.45Å; I121-L125 PolarHBondContact O-N 3.31Å; I121-L208 HydrophobicContact CG2-CD1 3.39Å; I121-L211 HydrophobicContact CG1-CB 4.38Å; I121-L211 HydrophobicContact CG2-CB 4.43Å; I121-C212 HydrophobicContact CD1-CB 4.47Å; I121-Y242 HydrophobicContact CD1-CD1 4.3Å; I121-Y242 HydrophobicContact CD1-CE1 3.52Å; I121-L246 HydrophobicContact CG2-CD2 4.39Å
122G97.1Very high95.7Very high0 Ų038.4 Ų38.40%019%0.193CC..Hα-helixtrans-60.9-43177.100000112.3E118 L125 V126E118-G122 PolarHBondContact O-N 3.37Å; G122-L125 PolarHBondContact O-N 3.38Å; G122-V126 WeakPolarHBondContact O-CG2 3.46Å; G122-V126 PolarHBondContact O-N 3.11Å
123K96.3Very high95.7Very high33 Ų3333 Ų3314%0.14317%0.171CC..Hα-helixtrans-55.9-54.4172.1175.4173.1-178.2176.40111.1K119 I120 I121 L125 V126 Q127 N156 L280 E283K119-K123 WeakPolarHBondContact O-CB 3.37Å; K119-K123 PolarHBondContact O-N 2.71Å; K119-K123 VanDerWaalsContact O-N 3.08Å; I120-K123 WeakPolarHBondContact O-CB 3.46Å; I120-K123 PolarHBondContact O-N 3.03Å; I121-K123 PolarHBondContact O-N 3.46Å; K123-L125 PolarHBondContact O-N 3.5Å; K123-V126 PolarHBondContact O-N 2.87Å; K123-Q127 VanDerWaalsContact O-CG 3.25Å; K123-Q127 WeakPolarHBondContact O-CG 3.42Å; K123-Q127 PolarHBondContact O-N 2.75Å; K123-N156 WeakPolarHBondContact CE-OD1 3.28Å; K123-N156 PolarHBondContact NZ-OD1 2.97Å; K123-L280 HydrophobicContact CG-CD1 4.21Å; K123-E283 IonicContact NZ-OE1 2.64Å; K123-E283 PolarHBondContact NZ-OE1 2.81Å; K123-E283 IonicContact NZ-OE2 2.78Å; K123-E283 PolarHBondContact NZ-OE2 2.8Å
124W97.7Very high95.6Very high9 Ų931.5 Ų31.53%0.03415%0.147CC..Hα-helixtrans-65.5-36.6-178.7-67.8-10.7000113.1L102 Y105 I116 I120 I121 Q127 L128 L152 G155 I157 L211L102-W124 HydrophobicContact CD2-CE3 4.15Å; L102-W124 HydrophobicContact CD2-CH2 4.1Å; L102-W124 HydrophobicContact CD2-CZ3 3.75Å; Y105-W124 AromaticContact CD1-CH2 3.96Å; Y105-W124 HydrophobicContact CD1-CH2 3.96Å; Y105-W124 HydrophobicContact CD1-CZ3 4.21Å; Y105-W124 AromaticContact CE1-CH2 3.46Å; Y105-W124 HydrophobicContact CE1-CH2 3.46Å; Y105-W124 VanDerWaalsContact CE1-CH2 3.46Å; Y105-W124 AromaticContact CE1-CZ3 3.86Å; Y105-W124 HydrophobicContact CE1-CZ3 3.86Å; Y105-W124 HydrophobicContact CE2-CH2 4.42Å; Y105-W124 AromaticContact CZ-CH2 3.72Å; I116-W124 HydrophobicContact CD1-CZ3 4.1Å; I120-W124 HydrophobicContact CG2-CD2 3.86Å; I120-W124 HydrophobicContact CG2-CE3 4.16Å; I120-W124 HydrophobicContact CG2-CG 4.48Å; I120-W124 HydrophobicContact CG2-CH2 4.01Å; I120-W124 HydrophobicContact CG2-CZ2 3.67Å; I120-W124 HydrophobicContact CG2-CZ3 4.24Å; I120-W124 PolarHBondContact O-N 3.26Å; I121-W124 PolarHBondContact O-N 3.24Å; W124-Q127 PolarHBondContact O-N 3.25Å; W124-L128 WeakPolarHBondContact O-CB 3.45Å; W124-L128 WeakPolarHBondContact O-CG 3.45Å; W124-L128 PolarHBondContact O-N 3Å; W124-L152 HydrophobicContact CH2-CD1 4.13Å; W124-L152 HydrophobicContact CH2-CD2 4.05Å; W124-L152 HydrophobicContact CZ2-CD1 4.21Å; W124-L152 HydrophobicContact CZ2-CD2 3.53Å; W124-G155 PolarHBondContact NE1-O 3.45Å; W124-I157 HydrophobicContact CB-CG2 3.81Å; W124-I157 HydrophobicContact CD2-CG2 3.94Å; W124-I157 HydrophobicContact CG-CG2 3.51Å; W124-L211 HydrophobicContact CE3-CD1 4.22Å; W124-L211 HydrophobicContact CE3-CD2 3.67Å; W124-L211 HydrophobicContact CZ3-CD2 3.73Å
125L97.9Very high95.5Very high2 Ų226.8 Ų26.81%0.0113%0.125CC..Hα-helixtrans-59.7-49.5174.7177.461.5000110.9I121 G122 K123 Q127 L128 I129 I204 L208 L246 V249 M253 V273I121-L125 VanDerWaalsContact O-CB 3.27Å; I121-L125 WeakPolarHBondContact O-CB 3.45Å; I121-L125 PolarHBondContact O-N 3.31Å; G122-L125 PolarHBondContact O-N 3.38Å; K123-L125 PolarHBondContact O-N 3.5Å; L125-Q127 VanDerWaalsContact C-N 3.33Å; L125-Q127 PolarHBondContact O-N 3.05Å; L125-L128 WeakPolarHBondContact O-CB 3.18Å; L125-L128 PolarHBondContact O-N 3.12Å; L125-I129 HydrophobicContact CD1-CD1 3.83Å; L125-I129 HydrophobicContact CD1-CG1 4.25Å; L125-I129 HydrophobicContact CG-CD1 3.8Å; L125-I129 WeakPolarHBondContact O-CG1 3.47Å; L125-I129 PolarHBondContact O-N 3.16Å; L125-I204 HydrophobicContact CD1-CG2 3.97Å; L125-L208 HydrophobicContact CD1-CD2 4.34Å; L125-L208 HydrophobicContact CD2-CD1 4.28Å; L125-L208 HydrophobicContact CD2-CD2 4.07Å; L125-L246 HydrophobicContact CD2-CD1 4.33Å; L125-V249 HydrophobicContact CD2-CG1 4.12Å; L125-M253 HydrophobicContact CD1-CE 4.35Å; L125-M253 HydrophobicContact CD1-SD 4.33Å; L125-V273 HydrophobicContact CD2-CG2 4.42Å
126V96.4Very high95.3Very high0 Ų021.4 Ų21.40%011%0.105CC..Hα-helixtrans-60.5-43.9177.4169.20000111.3G122 K123 L128 I129 L130 V273 Y276 L277 L280G122-V126 WeakPolarHBondContact O-CG2 3.46Å; G122-V126 PolarHBondContact O-N 3.11Å; K123-V126 PolarHBondContact O-N 2.87Å; V126-L128 VanDerWaalsContact C-N 3.34Å; V126-L128 PolarHBondContact O-N 3.22Å; V126-I129 PolarHBondContact O-N 2.81Å; V126-L130 HydrophobicContact CG1-CD1 3.78Å; V126-L130 HydrophobicContact CG1-CG 4.14Å; V126-L130 WeakPolarHBondContact O-CB 3.4Å; V126-L130 VanDerWaalsContact O-CG 3.29Å; V126-L130 WeakPolarHBondContact O-CG 3.45Å; V126-L130 PolarHBondContact O-N 3.3Å; V126-V273 HydrophobicContact CG2-CG1 4.03Å; V126-Y276 VanDerWaalsContact CG2-CB 3.46Å; V126-L277 HydrophobicContact CG1-CB 4.15Å; V126-L277 HydrophobicContact CG1-CD1 3.46Å; V126-L277 VanDerWaalsContact CG1-CD1 3.46Å; V126-L277 HydrophobicContact CG1-CG 4.43Å; V126-L277 HydrophobicContact CG2-CB 4.35Å; V126-L280 HydrophobicContact CB-CD2 4.41Å; V126-L280 HydrophobicContact CG1-CD2 3.66Å
127Q95.9Very high94.9Very high0 Ų028.1 Ų28.10%013%0.134CC..Hα-helixtrans-62-41.2178.7-67.3179.7-13.700112.4Y76 K123 W124 L125 A131 N156 I157 L280Y76-Q127 HydrophobicContact CD1-CB 3.99Å; Y76-Q127 HydrophobicContact CD1-CG 3.88Å; Y76-Q127 HydrophobicContact CD2-CB 3.67Å; Y76-Q127 HydrophobicContact CD2-CG 3.85Å; Y76-Q127 HydrophobicContact CE1-CB 4.28Å; Y76-Q127 HydrophobicContact CE1-CG 3.66Å; Y76-Q127 HydrophobicContact CE2-CB 3.98Å; Y76-Q127 HydrophobicContact CE2-CG 3.61Å; Y76-Q127 HydrophobicContact CG-CB 3.7Å; Y76-Q127 HydrophobicContact CG-CG 4Å; K123-Q127 VanDerWaalsContact O-CG 3.25Å; K123-Q127 WeakPolarHBondContact O-CG 3.42Å; K123-Q127 PolarHBondContact O-N 2.75Å; W124-Q127 PolarHBondContact O-N 3.25Å; L125-Q127 VanDerWaalsContact C-N 3.33Å; L125-Q127 PolarHBondContact O-N 3.05Å; Q127-A131 PolarHBondContact O-N 3.23Å; Q127-N156 PolarHBondContact NE2-OD1 3.38Å; Q127-I157 HydrophobicContact CB-CD1 3.91Å; Q127-I157 HydrophobicContact CB-CG1 3.43Å; Q127-I157 VanDerWaalsContact CB-CG1 3.43Å; Q127-I157 HydrophobicContact CG-CG1 4.46Å; Q127-L280 HydrophobicContact CG-CD2 4.1Å
128L97.1Very high94.3Very high1 Ų129 Ų291%0.00514%0.135CC..Hα-helixtrans-61.3-45.3173.9-77166.5000111.2W124 L125 V126 T132 I150 I157 I159 I204 I207W124-L128 WeakPolarHBondContact O-CB 3.45Å; W124-L128 WeakPolarHBondContact O-CG 3.45Å; W124-L128 PolarHBondContact O-N 3Å; L125-L128 WeakPolarHBondContact O-CB 3.18Å; L125-L128 PolarHBondContact O-N 3.12Å; V126-L128 VanDerWaalsContact C-N 3.34Å; V126-L128 PolarHBondContact O-N 3.22Å; L128-T132 WeakPolarHBondContact O-CB 3.47Å; L128-T132 PolarHBondContact O-N 3.31Å; L128-T132 PolarHBondContact O-OG1 2.91Å; L128-I150 HydrophobicContact CD2-CD1 3.58Å; L128-I150 HydrophobicContact CD2-CG1 4.08Å; L128-I150 HydrophobicContact CD2-CG2 4.26Å; L128-I157 HydrophobicContact CB-CD1 4.46Å; L128-I157 HydrophobicContact CD2-CD1 3.69Å; L128-I157 HydrophobicContact CG-CD1 3.77Å; L128-I157 HydrophobicContact CG-CG1 4.23Å; L128-I159 HydrophobicContact CD2-CD1 3.99Å; L128-I159 HydrophobicContact CD2-CG1 3.96Å; L128-I204 HydrophobicContact CB-CG2 4.24Å; L128-I204 HydrophobicContact CD1-CG2 4.26Å; L128-I207 HydrophobicContact CD1-CG2 4.09Å
129I96.7Very high93.7Very high0 Ų033.2 Ų33.20%015%0.152CC..Hα-helixtrans-67.1-43.8-179.6-62.5164.1000110.6L125 V126 A131 T132 V133 A264 L267 L268 V273L125-I129 HydrophobicContact CD1-CD1 3.83Å; L125-I129 HydrophobicContact CD1-CG1 4.25Å; L125-I129 HydrophobicContact CG-CD1 3.8Å; L125-I129 WeakPolarHBondContact O-CG1 3.47Å; L125-I129 PolarHBondContact O-N 3.16Å; V126-I129 PolarHBondContact O-N 2.81Å; I129-A131 PolarHBondContact O-N 3.45Å; I129-T132 CarbonylContact O-C 3.38Å; I129-T132 WeakPolarHBondContact O-CA 3.49Å; I129-T132 WeakPolarHBondContact O-CB 3.16Å; I129-T132 PolarHBondContact O-N 3.34Å; I129-V133 HydrophobicContact CG2-CG2 4.42Å; I129-V133 WeakPolarHBondContact O-CG2 3.34Å; I129-V133 PolarHBondContact O-N 3.36Å; I129-A264 HydrophobicContact CG2-CB 4.21Å; I129-A264 VanDerWaalsContact CG2-O 3.26Å; I129-A264 WeakPolarHBondContact CG2-O 3.48Å; I129-L267 HydrophobicContact CD1-CD2 3.54Å; I129-L267 HydrophobicContact CD1-CG 3.85Å; I129-L267 HydrophobicContact CG1-CD2 3.96Å; I129-L268 HydrophobicContact CB-CD2 3.99Å; I129-L268 HydrophobicContact CB-CG 4.48Å; I129-L268 HydrophobicContact CG2-CD1 4.26Å; I129-L268 HydrophobicContact CG2-CD2 3.53Å; I129-L268 HydrophobicContact CG2-CG 3.49Å; I129-L268 VanDerWaalsContact CG2-CG 3.49Å; I129-V273 HydrophobicContact CD1-CG1 3.74Å; I129-V273 HydrophobicContact CD1-CG2 4.35Å
130L95Very high93.1Very high1 Ų127 Ų271%0.00513%0.126CC..Hα-helixtrans-57.6-49176.5-74.6172.7000111.8Y76 V126 T132 V133 Y134 L268 L277 L280 P316 L320Y76-L130 HydrophobicContact CD2-CB 4.21Å; Y76-L130 HydrophobicContact CD2-CD1 4.35Å; Y76-L130 HydrophobicContact CE2-CB 4.49Å; Y76-L130 HydrophobicContact CE2-CD1 3.82Å; V126-L130 HydrophobicContact CG1-CD1 3.78Å; V126-L130 HydrophobicContact CG1-CG 4.14Å; V126-L130 WeakPolarHBondContact O-CB 3.4Å; V126-L130 VanDerWaalsContact O-CG 3.29Å; V126-L130 WeakPolarHBondContact O-CG 3.45Å; V126-L130 PolarHBondContact O-N 3.3Å; L130-T132 PolarHBondContact O-N 2.89Å; L130-V133 PolarHBondContact O-N 3.13Å; L130-Y134 PolarHBondContact O-N 2.9Å; L130-L268 HydrophobicContact CD2-CD1 3.82Å; L130-L268 HydrophobicContact CD2-CD2 4.24Å; L130-L268 HydrophobicContact CG-CD2 4.36Å; L130-L277 HydrophobicContact CD1-CD1 4.06Å; L130-L277 HydrophobicContact CD2-CD1 4.32Å; L130-L277 HydrophobicContact CG-CD1 4.48Å; L130-L280 HydrophobicContact CD1-CD2 4.18Å; L130-P316 HydrophobicContact CD2-CB 3.53Å; L130-P316 HydrophobicContact CD2-CG 3.59Å; L130-L320 HydrophobicContact CD1-CD1 4.09Å
131A94.4Very high92.5Very high0 Ų025.6 Ų25.60%012%0.119CC..Hα-helixtrans-59.9-37.2174.400000112.3H74 I77 Q127 I129 Y134 M135 I159H74-A131 WeakPolarHBondContact CE1-CA 3.49Å; H74-A131 PolarHBondContact CE1-N 3.2Å; I77-A131 HydrophobicContact CD1-CB 4.39Å; I77-A131 HydrophobicContact CG1-CB 3.86Å; Q127-A131 PolarHBondContact O-N 3.23Å; I129-A131 PolarHBondContact O-N 3.45Å; A131-Y134 PolarHBondContact O-N 2.93Å; A131-M135 VanDerWaalsContact O-CG 3.32Å; A131-M135 WeakPolarHBondContact O-CG 3.49Å; A131-M135 PolarHBondContact O-N 3.15Å; A131-I159 HydrophobicContact CB-CD1 3.49Å; A131-I159 VanDerWaalsContact CB-CD1 3.49Å; A131-I159 HydrophobicContact CB-CG1 4.05Å
132T93.9Very high92Very high0 Ų025.7 Ų25.70%012%0.119CC..Hα-helixtrans-70.3-38.4178.6-55.90000112.3L128 I129 L130 Y134 M135 H136 D200 I201 I204 A264L128-T132 WeakPolarHBondContact O-CB 3.47Å; L128-T132 PolarHBondContact O-N 3.31Å; L128-T132 PolarHBondContact O-OG1 2.91Å; I129-T132 CarbonylContact O-C 3.38Å; I129-T132 WeakPolarHBondContact O-CA 3.49Å; I129-T132 WeakPolarHBondContact O-CB 3.16Å; I129-T132 PolarHBondContact O-N 3.34Å; L130-T132 PolarHBondContact O-N 2.89Å; T132-Y134 VanDerWaalsContact C-N 3.34Å; T132-Y134 PolarHBondContact O-N 2.72Å; T132-M135 HydrophobicContact CG2-CE 4.41Å; T132-M135 PolarHBondContact O-N 3.42Å; T132-H136 WeakPolarHBondContact CG2-CE1 3.27Å; T132-H136 WeakPolarHBondContact CG2-NE2 3.45Å; T132-H136 WeakPolarHBondContact O-CB 3.29Å; T132-H136 VanDerWaalsContact O-CG 3.24Å; T132-H136 PolarHBondContact O-N 2.85Å; T132-D200 HydrophobicContact CG2-CB 4.38Å; T132-I201 HydrophobicContact CG2-CD1 4.37Å; T132-I204 HydrophobicContact CG2-CD1 4.15Å; T132-I204 WeakPolarHBondContact OG1-CD1 3.18Å; T132-A264 HydrophobicContact CG2-CB 3.94Å
133V94Very high91.3Very high22 Ų2231 Ų3113%0.13314%0.139CC..Hα-helixtrans-58-48170.7170.40000110.3I129 L130 M135 H136 K137 A264 L268I129-V133 HydrophobicContact CG2-CG2 4.42Å; I129-V133 WeakPolarHBondContact O-CG2 3.34Å; I129-V133 PolarHBondContact O-N 3.36Å; L130-V133 PolarHBondContact O-N 3.13Å; V133-M135 PolarHBondContact O-N 2.83Å; V133-H136 PolarHBondContact O-N 2.85Å; V133-K137 VanDerWaalsContact O-CB 3.25Å; V133-K137 WeakPolarHBondContact O-CB 3.29Å; V133-K137 PolarHBondContact O-N 2.81Å; V133-A264 HydrophobicContact CB-CB 4.44Å; V133-A264 HydrophobicContact CG2-CB 3.48Å; V133-A264 VanDerWaalsContact CG2-CB 3.48Å; V133-L268 HydrophobicContact CG2-CD1 3.68Å; V133-L268 HydrophobicContact CG2-CG 4.43Å
134Y91.2Very high90.7Very high30 Ų3031.3 Ų31.312%0.11814%0.142CC..Hα-helixtrans-58.5-48.7176.7175.7-98.1000111.9L72 K73 H74 I77 L130 A131 T132 K137 N138 D317L72-Y134 HydrophobicContact CB-CE1 4.25Å; L72-Y134 HydrophobicContact CD2-CE1 3.81Å; K73-Y134 PolarHBondContact N-OH 3.41Å; K73-Y134 VanDerWaalsContact O-CZ 3.32Å; K73-Y134 PolarHBondContact O-OH 3.43Å; H74-Y134 HydrophobicContact CB-CD1 3.84Å; H74-Y134 HydrophobicContact CB-CE1 4.01Å; H74-Y134 HydrophobicContact CB-CG 4.12Å; H74-Y134 AromaticContact CD2-CG 3.84Å; I77-Y134 HydrophobicContact CD1-CD1 3.54Å; I77-Y134 HydrophobicContact CD1-CE1 4.01Å; L130-Y134 PolarHBondContact O-N 2.9Å; A131-Y134 PolarHBondContact O-N 2.93Å; T132-Y134 VanDerWaalsContact C-N 3.34Å; T132-Y134 PolarHBondContact O-N 2.72Å; Y134-K137 PolarHBondContact O-N 2.94Å; Y134-N138 WeakPolarHBondContact CE2-ND2 3.44Å; Y134-N138 PolarHBondContact O-N 3Å; Y134-N138 VanDerWaalsContact O-N 3.13Å; Y134-N138 PolarHBondContact O-ND2 2.86Å; Y134-D317 HydrophobicContact CD2-CB 4.4Å; Y134-D317 WeakPolarHBondContact CD2-OD2 3.13Å
135M89.8Confident90.4Very high0 Ų030.9 Ų30.90%014%0.141CC..Hα-helixtrans-59.1-50177.3-70.5-174.8-65.400111.7I77 A131 T132 V133 K137 N138 K139 I140 H142 I159 F162I77-M135 HydrophobicContact CD1-CG 3.83Å; I77-M135 HydrophobicContact CD1-SD 4.47Å; A131-M135 VanDerWaalsContact O-CG 3.32Å; A131-M135 WeakPolarHBondContact O-CG 3.49Å; A131-M135 PolarHBondContact O-N 3.15Å; T132-M135 HydrophobicContact CG2-CE 4.41Å; T132-M135 PolarHBondContact O-N 3.42Å; V133-M135 PolarHBondContact O-N 2.83Å; M135-K137 PolarHBondContact O-N 2.86Å; M135-N138 CarbonylContact O-C 3.55Å; M135-N138 WeakPolarHBondContact O-CA 3.26Å; M135-N138 PolarHBondContact O-N 2.86Å; M135-N138 VanDerWaalsContact O-N 3.16Å; M135-K139 PolarHBondContact O-N 3.12Å; M135-I140 CarbonylContact C-O 3.55Å; M135-I140 HydrophobicContact CB-CB 4.4Å; M135-I140 PolarHBondContact O-N 3.37Å; M135-H142 HydrophobicContact CE-CB 4.19Å; M135-H142 HydrophobicContact SD-CB 4.14Å; M135-I159 HydrophobicContact CE-CD1 3.82Å; M135-F162 HydrophobicContact CG-CE1 4.1Å; M135-F162 HydrophobicContact SD-CD1 4.28Å; M135-F162 HydrophobicContact SD-CE1 3.34Å; M135-F162 WeakPolarHBondContact SD-CE1 3.5Å; M135-F162 HydrophobicContact SD-CZ 3.9Å
136H89.3Confident90.1Very high17 Ų1733.4 Ų33.48%0.07915%0.152CC..Hα-helixtrans-66.9-35.8-176.9-69.9-179.4000112.5T132 V133 N138 K139 I140 N197 D200T132-H136 WeakPolarHBondContact CG2-CE1 3.27Å; T132-H136 WeakPolarHBondContact CG2-NE2 3.45Å; T132-H136 WeakPolarHBondContact O-CB 3.29Å; T132-H136 VanDerWaalsContact O-CG 3.24Å; T132-H136 PolarHBondContact O-N 2.85Å; V133-H136 PolarHBondContact O-N 2.85Å; H136-N138 VanDerWaalsContact C-N 3.31Å; H136-N138 PolarHBondContact O-N 2.9Å; H136-K139 WeakPolarHBondContact O-CA 3.45Å; H136-K139 PolarHBondContact O-N 3.5Å; H136-I140 PolarHBondContact CD2-O 3.23Å; H136-N197 PolarHBondContact CE1-O 2.97Å; H136-D200 IonicContact CD2-OD2 2.87Å; H136-D200 IonicContact CE1-OD2 3.57Å; H136-D200 IonicContact NE2-OD2 2.68Å; H136-D200 PolarHBondContact NE2-OD2 3.47Å
137K88.3Confident89.9Confident148 Ų14833.5 Ų33.564%0.64315%0.152SC*.Hα-helixtrans-61.7-40.3172.9-174.8177.9178.7-178.80111.2V133 Y134 M135 K139V133-K137 VanDerWaalsContact O-CB 3.25Å; V133-K137 WeakPolarHBondContact O-CB 3.29Å; V133-K137 PolarHBondContact O-N 2.81Å; Y134-K137 PolarHBondContact O-N 2.94Å; M135-K137 PolarHBondContact O-N 2.86Å; K137-K139 PolarHBondContact O-N 2.94Å
138N84.1Confident89.7Confident80 Ų8035.5 Ų35.543%0.42817%0.166SC..THydrogen-bonded Turntrans-79.510.5173.1-70.1-75.8000113.6Y134 M135 H136 I140Y134-N138 WeakPolarHBondContact CE2-ND2 3.44Å; Y134-N138 PolarHBondContact O-N 3Å; Y134-N138 VanDerWaalsContact O-N 3.13Å; Y134-N138 PolarHBondContact O-ND2 2.86Å; M135-N138 CarbonylContact O-C 3.55Å; M135-N138 WeakPolarHBondContact O-CA 3.26Å; M135-N138 PolarHBondContact O-N 2.86Å; M135-N138 VanDerWaalsContact O-N 3.16Å; H136-N138 VanDerWaalsContact C-N 3.31Å; H136-N138 PolarHBondContact O-N 2.9Å; N138-I140 HydrophobicContact CB-CD1 4.14Å; N138-I140 HydrophobicContact CB-CG1 4.49Å; N138-I140 PolarHBondContact O-N 2.93Å
139K83.6Confident89.4Confident136 Ų13635.8 Ų35.859%0.59117%0.168SC*.THydrogen-bonded Turntrans59.428.4179.6-50.3-61.2-177.4178.30113.9M135 H136 K137M135-K139 PolarHBondContact O-N 3.12Å; H136-K139 WeakPolarHBondContact O-CA 3.45Å; H136-K139 PolarHBondContact O-N 3.5Å; K137-K139 PolarHBondContact O-N 2.94Å
140I82.9Confident89.4Confident25 Ų2535.8 Ų35.813%0.12817%0.168CC..  trans-102130177.2-65.3165.7000108.8L68 L72 M135 H136 N138 F162L68-I140 HydrophobicContact CD1-CD1 4.25Å; L68-I140 HydrophobicContact CD2-CD1 4.44Å; L68-I140 HydrophobicContact CG-CD1 4.42Å; L72-I140 HydrophobicContact CD1-CD1 4.21Å; L72-I140 HydrophobicContact CD2-CD1 3.48Å; L72-I140 VanDerWaalsContact CD2-CD1 3.48Å; L72-I140 HydrophobicContact CG-CD1 4.35Å; M135-I140 CarbonylContact C-O 3.55Å; M135-I140 HydrophobicContact CB-CB 4.4Å; M135-I140 PolarHBondContact O-N 3.37Å; H136-I140 PolarHBondContact CD2-O 3.23Å; N138-I140 HydrophobicContact CB-CD1 4.14Å; N138-I140 HydrophobicContact CB-CG1 4.49Å; N138-I140 PolarHBondContact O-N 2.93Å; I140-F162 HydrophobicContact CG2-CD1 4.5Å
141L84.1Confident89.4Confident34 Ų3437.6 Ų37.618%0.17818%0.176CC..  trans-104.4135.2170.8-60.8176.9000108.1R143 Y195 N197L141-R143 HydrophobicContact CB-CG 3.98Å; L141-Y195 HydrophobicContact CB-CD1 4.49Å; L141-Y195 HydrophobicContact CB-CE1 4.45Å; L141-Y195 HydrophobicContact CD1-CD1 4.18Å; L141-N197 VanDerWaalsContact CD2-CA 3.45Å; L141-N197 HydrophobicContact CD2-CB 3.83Å
142H86Confident89.5Confident1 Ų138.1 Ų38.11%0.00518%0.179CC..  trans-76-41.6-177.4-172.9-77.7000111.8M135 D144 L145 I159 G160 F162 D200M135-H142 HydrophobicContact CE-CB 4.19Å; M135-H142 HydrophobicContact SD-CB 4.14Å; H142-D144 PolarHBondContact CE1-O 3.38Å; H142-D144 PolarHBondContact ND1-N 3.18Å; H142-D144 PolarHBondContact O-N 2.75Å; H142-L145 HydrophobicContact CB-CD1 4.21Å; H142-L145 HydrophobicContact CB-CD2 4.08Å; H142-L145 HydrophobicContact CB-CG 3.77Å; H142-L145 PolarHBondContact ND1-N 3.01Å; H142-I159 VanDerWaalsContact CD2-CG2 3.44Å; H142-I159 WeakPolarHBondContact CD2-CG2 3.46Å; H142-I159 WeakPolarHBondContact NE2-CG2 3.48Å; H142-G160 PolarHBondContact NE2-O 3.06Å; H142-F162 AromaticContact CD2-CD1 3.76Å; H142-F162 AromaticContact CD2-CE1 3.98Å; H142-D200 WeakPolarHBondContact CB-OD1 3.44Å; H142-D200 PolarHBondContact N-OD1 2.79Å; H142-D200 PolarHBondContact N-OD2 2.81Å
143R83.1Confident89.5Confident113 Ų11340.1 Ų40.143%0.42619%0.187SC..SBendtrans68.3-14.2174.5-56.6177.6173.5-175.9-2.4117.4L141 R166 Y195 D200L141-R143 HydrophobicContact CB-CG 3.98Å; R143-R166 PolarHBondContact O-NH1 3.16Å; R143-Y195 HydrophobicContact CB-CE1 4.35Å; R143-Y195 HydrophobicContact CG-CD1 3.83Å; R143-Y195 HydrophobicContact CG-CE1 3.92Å; R143-Y195 HydrophobicContact CG-CG 4.23Å; R143-D200 PolarHBondContact N-OD1 2.86Å; R143-D200 VanDerWaalsContact N-OD1 3.17Å
144D82.9Confident89.3Confident38 Ų3843.9 Ų43.920%0.20321%0.207CC..  trans-136.842.3177.4-167.132.4000111.8H142 K146 N149H142-D144 PolarHBondContact CE1-O 3.38Å; H142-D144 PolarHBondContact ND1-N 3.18Å; H142-D144 PolarHBondContact O-N 2.75Å; D144-K146 PolarHBondContact O-N 3.32Å; D144-K146 WeakPolarHBondContact OD1-CE 3.37Å; D144-K146 IonicContact OD1-NZ 3.74Å; D144-K146 PolarHBondContact OD1-NZ 2.98Å; D144-K146 WeakPolarHBondContact OD2-CE 3.44Å; D144-K146 IonicContact OD2-NZ 3.58Å; D144-K146 PolarHBondContact OD2-NZ 3.16Å; D144-N149 PolarHBondContact O-ND2 3.26Å; D144-N149 PolarHBondContact OD2-ND2 3.43Å
145L91.2Very high89.3Confident1 Ų144.6 Ų44.61%0.00522%0.223CC..  trans-69.4117.9174.9-75.6173.2000109.7H142 I150 I159 D200 I204 I207H142-L145 HydrophobicContact CB-CD1 4.21Å; H142-L145 HydrophobicContact CB-CD2 4.08Å; H142-L145 HydrophobicContact CB-CG 3.77Å; H142-L145 PolarHBondContact ND1-N 3.01Å; L145-I150 HydrophobicContact CD2-CD1 4.2Å; L145-I159 HydrophobicContact CD2-CD1 4.2Å; L145-I159 HydrophobicContact CD2-CG2 3.79Å; L145-D200 HydrophobicContact CD1-CB 3.79Å; L145-I204 HydrophobicContact CD1-CD1 4.18Å; L145-I204 HydrophobicContact CD1-CG1 3.83Å; L145-I207 HydrophobicContact CB-CD1 4.29Å
146K91.6Very high89.5Confident55 Ų5546.2 Ų46.224%0.23923%0.232CC..  trans-157.5161.4177.958.6-175.5176-140.30110.4D144 S148 N149 Y184D144-K146 PolarHBondContact O-N 3.32Å; D144-K146 WeakPolarHBondContact OD1-CE 3.37Å; D144-K146 IonicContact OD1-NZ 3.74Å; D144-K146 PolarHBondContact OD1-NZ 2.98Å; D144-K146 WeakPolarHBondContact OD2-CE 3.44Å; D144-K146 IonicContact OD2-NZ 3.58Å; D144-K146 PolarHBondContact OD2-NZ 3.16Å; K146-S148 WeakPolarHBondContact CD-OG 3.32Å; K146-S148 WeakPolarHBondContact CE-OG 3.45Å; K146-S148 WeakPolarHBondContact CG-OG 3.36Å; K146-S148 PolarHBondContact O-N 2.89Å; K146-N149 WeakPolarHBondContact CE-ND2 3.25Å; K146-N149 WeakPolarHBondContact CE-OD1 3.33Å; K146-N149 HydrophobicContact CG-CB 4.13Å; K146-N149 PolarHBondContact O-N 3.41Å; K146-Y184 HydrophobicContact CB-CD1 3.97Å; K146-Y184 HydrophobicContact CB-CD2 3.64Å; K146-Y184 HydrophobicContact CB-CE1 3.84Å; K146-Y184 HydrophobicContact CB-CE2 3.53Å; K146-Y184 HydrophobicContact CB-CG 3.86Å
147T93.7Very high89.9Confident1 Ų145.4 Ų45.41%0.00623%0.228CC..G310 helixtrans-60.7-22.2-176.651.90000113.8L102 T103 L106 N149 Y184 I207 E210L102-T147 WeakPolarHBondContact CA-O 3.35Å; L102-T147 HydrophobicContact CB-CG2 4.33Å; L102-T147 WeakPolarHBondContact CB-O 3.25Å; L102-T147 PolarHBondContact N-O 2.81Å; L102-T147 VanDerWaalsContact N-O 3.1Å; T103-T147 PolarHBondContact N-O 2.73Å; T103-T147 VanDerWaalsContact N-O 3.09Å; T103-T147 VanDerWaalsContact OG1-C 3.27Å; T103-T147 PolarHBondContact OG1-OG1 3.23Å; L106-T147 HydrophobicContact CD1-CG2 3.9Å; T147-N149 VanDerWaalsContact C-N 3.31Å; T147-Y184 PolarHBondContact N-OH 3.19Å; T147-Y184 PolarHBondContact OG1-OH 3.26Å; T147-I207 HydrophobicContact CG2-CB 4.49Å; T147-I207 HydrophobicContact CG2-CG1 4.16Å; T147-I207 HydrophobicContact CG2-CG2 4.12Å; T147-E210 HydrophobicContact CG2-CB 4.35Å; T147-E210 WeakPolarHBondContact CG2-OE2 3.48Å; T147-E210 PolarHBondContact OG1-OE2 3Å
148S90.4Very high90.2Very high43 Ų4338.6 Ų38.630%0.30120%0.198SC..G310 helixtrans-77.7-14.3175.167.40000114.3T103 K146T103-S148 WeakPolarHBondContact OG1-CA 3.27Å; T103-S148 PolarHBondContact OG1-N 3.49Å; K146-S148 WeakPolarHBondContact CD-OG 3.32Å; K146-S148 WeakPolarHBondContact CE-OG 3.45Å; K146-S148 WeakPolarHBondContact CG-OG 3.36Å; K146-S148 PolarHBondContact O-N 2.89Å
149N92Very high90.7Very high7 Ų734.8 Ų34.84%0.03718%0.178CC..G310 helixtrans-106.25.7-179-68.67.5000111.9D144 K146 T147 G160 D161D144-N149 PolarHBondContact O-ND2 3.26Å; D144-N149 PolarHBondContact OD2-ND2 3.43Å; K146-N149 WeakPolarHBondContact CE-ND2 3.25Å; K146-N149 WeakPolarHBondContact CE-OD1 3.33Å; K146-N149 HydrophobicContact CG-CB 4.13Å; K146-N149 PolarHBondContact O-N 3.41Å; T147-N149 VanDerWaalsContact C-N 3.31Å; N149-G160 PolarHBondContact O-N 3.06Å; N149-D161 HydrophobicContact CB-CB 4.24Å; N149-D161 PolarHBondContact ND2-O 3.44Å
150I95.4Very high91Very high0 Ų028.4 Ų28.40%015%0.15CC..EExtended strand (participates in β ladder)trans-111119174.2-51.5-55.4000108.3D101 L102 L128 L145 I157 I159 I207D101-I150 CarbonylContact C-O 3.54Å; D101-I150 VanDerWaalsContact CA-O 3.25Å; D101-I150 WeakPolarHBondContact CA-O 3.05Å; L102-I150 HydrophobicContact CB-CB 4.43Å; L102-I150 HydrophobicContact CD1-CB 3.67Å; L102-I150 HydrophobicContact CD1-CG1 4.31Å; L102-I150 HydrophobicContact CD1-CG2 3.45Å; L102-I150 VanDerWaalsContact CD1-CG2 3.45Å; L102-I150 HydrophobicContact CG-CB 3.92Å; L102-I150 HydrophobicContact CG-CG2 3.83Å; L102-I150 PolarHBondContact N-O 3.27Å; L128-I150 HydrophobicContact CD2-CD1 3.58Å; L128-I150 HydrophobicContact CD2-CG1 4.08Å; L128-I150 HydrophobicContact CD2-CG2 4.26Å; L145-I150 HydrophobicContact CD2-CD1 4.2Å; I150-I157 HydrophobicContact CG2-CB 3.75Å; I150-I157 HydrophobicContact CG2-CD1 4.44Å; I150-I157 HydrophobicContact CG2-CG2 4.03Å; I150-I159 HydrophobicContact CD1-CB 4.24Å; I150-I159 HydrophobicContact CD1-CG1 3.87Å; I150-I159 HydrophobicContact CD1-CG2 4.19Å; I150-I207 HydrophobicContact CG1-CD1 4.32Å
151F95.7Very high90.6Very high39 Ų3929.3 Ų29.317%0.17116%0.155CC..EExtended strand (participates in β ladder)trans-103.6155.2-176.8-57.8-84.4000111.8L78 C97 G100 D101 I157 K158L78-F151 HydrophobicContact CD2-CD2 4.38Å; L78-F151 HydrophobicContact CD2-CE2 4.27Å; C97-F151 HydrophobicContact CB-CB 3.68Å; C97-F151 HydrophobicContact CB-CG 4.45Å; G100-F151 CarbonylContact O-C 3.4Å; G100-F151 VanDerWaalsContact O-CA 3.25Å; G100-F151 WeakPolarHBondContact O-CA 3.47Å; D101-F151 HydrophobicContact CB-CD1 4.15Å; D101-F151 HydrophobicContact CB-CE1 4.16Å; F151-I157 CarbonylContact O-C 3.57Å; F151-I157 VanDerWaalsContact O-CA 3.27Å; F151-I157 WeakPolarHBondContact O-CA 3.34Å; F151-K158 PolarHBondContact N-O 3.35Å; F151-K158 PolarHBondContact O-N 3.41Å
152L95.9Very high89.9Confident11 Ų1128.2 Ų28.26%0.05815%0.15CC..EExtended strand (participates in β ladder)trans-109.1126.7177.1-70.5174.9000111C97 G99 G100 L102 Y105 W124 N156 I157C97-L152 CarbonylContact C-O 3.51Å; C97-L152 WeakPolarHBondContact CB-O 3.47Å; G99-L152 WeakPolarHBondContact CA-O 3.26Å; G99-L152 PolarHBondContact N-O 3.07Å; G100-L152 PolarHBondContact O-N 3.29Å; L102-L152 HydrophobicContact CD2-CD1 3.87Å; L102-L152 HydrophobicContact CD2-CD2 3.89Å; L102-L152 HydrophobicContact CD2-CG 3.85Å; Y105-L152 HydrophobicContact CD1-CD1 4.41Å; Y105-L152 HydrophobicContact CD2-CD1 3.62Å; Y105-L152 HydrophobicContact CE2-CD1 4.21Å; Y105-L152 HydrophobicContact CG-CD1 3.74Å; W124-L152 HydrophobicContact CH2-CD1 4.13Å; W124-L152 HydrophobicContact CH2-CD2 4.05Å; W124-L152 HydrophobicContact CZ2-CD1 4.21Å; W124-L152 HydrophobicContact CZ2-CD2 3.53Å; L152-N156 WeakPolarHBondContact CA-O 3.43Å; L152-I157 HydrophobicContact CD2-CG2 3.94Å
153K93.6Very high88.5Confident42 Ų4228.9 Ų28.918%0.18316%0.156CC..EExtended strand (participates in β ladder)trans-138.8123.3174.4-168.3-170.8-172.5-170.70109.6E95 C97 E98 G155 N156 K158E95-K153 VanDerWaalsContact OE2-CD 3.24Å; E95-K153 WeakPolarHBondContact OE2-CD 3.42Å; E95-K153 WeakPolarHBondContact OE2-CE 3.5Å; E95-K153 IonicContact OE2-NZ 3.99Å; E95-K153 PolarHBondContact OE2-NZ 3.38Å; C97-K153 HydrophobicContact CB-CB 4.33Å; E98-K153 WeakPolarHBondContact OE1-CA 3.48Å; E98-K153 WeakPolarHBondContact OE2-CG 3.44Å; K153-G155 PolarHBondContact O-N 3.45Å; K153-G155 VanDerWaalsContact O-N 3.15Å; K153-N156 PolarHBondContact N-O 3.4Å; K153-N156 WeakPolarHBondContact O-CB 3.4Å; K153-N156 PolarHBondContact O-N 2.85Å; K153-K158 HydrophobicContact CB-CD 4.04Å; K153-K158 HydrophobicContact CD-CD 4.06Å
154N91Very high86.9Confident101 Ų10123.9 Ų23.954%0.5414%0.138SC..THydrogen-bonded Turntrans5136.7-178-60-22.7000113.2E98 N156E98-N154 PolarHBondContact OE1-N 3.17Å; E98-N154 PolarHBondContact OE1-OD1 2.71Å; N154-N156 PolarHBondContact O-N 3.19Å
155G90.9Very high85.1Confident45 Ų4524.1 Ų24.146%0.46414%0.143SC..THydrogen-bonded Turntrans75.6-0.5-177.300000115.6W124 K153W124-G155 PolarHBondContact NE1-O 3.45Å; K153-G155 PolarHBondContact O-N 3.45Å; K153-G155 VanDerWaalsContact O-N 3.15Å
156N94.8Very high82.8Confident34 Ų3428.1 Ų28.118%0.18216%0.158CC..EExtended strand (participates in β ladder)trans-100.3152.6174.9-61.6-45.2000110.9Y76 K123 Q127 L152 K153 N154Y76-N156 HydrophobicContact CD1-CB 4.42Å; Y76-N156 HydrophobicContact CE1-CB 4.24Å; K123-N156 WeakPolarHBondContact CE-OD1 3.28Å; K123-N156 PolarHBondContact NZ-OD1 2.97Å; Q127-N156 PolarHBondContact NE2-OD1 3.38Å; L152-N156 WeakPolarHBondContact CA-O 3.43Å; K153-N156 PolarHBondContact N-O 3.4Å; K153-N156 WeakPolarHBondContact O-CB 3.4Å; K153-N156 PolarHBondContact O-N 2.85Å; N154-N156 PolarHBondContact O-N 3.19Å
157I96.5Very high80.4Confident0 Ų028.3 Ų28.30%017%0.166CC..EExtended strand (participates in β ladder)trans-84.5151.3174.367.595.2000111.4Y76 W124 Q127 L128 I150 F151 L152 I159Y76-I157 WeakPolarHBondContact CA-O 3.39Å; Y76-I157 WeakPolarHBondContact CB-O 3.39Å; W124-I157 HydrophobicContact CB-CG2 3.81Å; W124-I157 HydrophobicContact CD2-CG2 3.94Å; W124-I157 HydrophobicContact CG-CG2 3.51Å; Q127-I157 HydrophobicContact CB-CD1 3.91Å; Q127-I157 HydrophobicContact CB-CG1 3.43Å; Q127-I157 VanDerWaalsContact CB-CG1 3.43Å; Q127-I157 HydrophobicContact CG-CG1 4.46Å; L128-I157 HydrophobicContact CB-CD1 4.46Å; L128-I157 HydrophobicContact CD2-CD1 3.69Å; L128-I157 HydrophobicContact CG-CD1 3.77Å; L128-I157 HydrophobicContact CG-CG1 4.23Å; I150-I157 HydrophobicContact CG2-CB 3.75Å; I150-I157 HydrophobicContact CG2-CD1 4.44Å; I150-I157 HydrophobicContact CG2-CG2 4.03Å; F151-I157 CarbonylContact O-C 3.57Å; F151-I157 VanDerWaalsContact O-CA 3.27Å; F151-I157 WeakPolarHBondContact O-CA 3.34Å; L152-I157 HydrophobicContact CD2-CG2 3.94Å; I157-I159 HydrophobicContact CD1-CG1 4.15Å
158K95.1Very high77.8Confident5 Ų529.6 Ų29.62%0.02217%0.172CC..EExtended strand (participates in β ladder)trans-135118.3170.2-74.1179.3169.1-78.80110P75 Y76 E95 F151 K153 G160 Q324P75-K158 PolarHBondContact O-NZ 3.25Å; Y76-K158 CarbonylContact O-C 3.59Å; Y76-K158 WeakPolarHBondContact O-CA 3.25Å; E95-K158 VanDerWaalsContact CD-CE 3.43Å; E95-K158 VanDerWaalsContact OE1-CD 3.3Å; E95-K158 WeakPolarHBondContact OE1-CD 3.44Å; E95-K158 VanDerWaalsContact OE1-CE 3.24Å; E95-K158 WeakPolarHBondContact OE1-CE 3.49Å; E95-K158 IonicContact OE1-NZ 3.49Å; E95-K158 PolarHBondContact OE1-NZ 3.17Å; E95-K158 WeakPolarHBondContact OE2-CE 3.27Å; E95-K158 IonicContact OE2-NZ 4Å; E95-K158 PolarHBondContact OE2-NZ 3.29Å; F151-K158 PolarHBondContact N-O 3.35Å; F151-K158 PolarHBondContact O-N 3.41Å; K153-K158 HydrophobicContact CB-CD 4.04Å; K153-K158 HydrophobicContact CD-CD 4.06Å; K158-G160 PolarHBondContact O-N 3.18Å; K158-Q324 VanDerWaalsContact NZ-NE2 3.12Å
159I94.3Very high75Confident0 Ų028.1 Ų28.10%016%0.163CC..EExtended strand (participates in β ladder)trans-72.1121174.1-54-171.1000108.5Y76 L78 L128 A131 M135 H142 L145 I150 I157Y76-I159 PolarHBondContact O-N 3.48Å; L78-I159 WeakPolarHBondContact CB-O 3.41Å; L78-I159 PolarHBondContact N-O 2.79Å; L128-I159 HydrophobicContact CD2-CD1 3.99Å; L128-I159 HydrophobicContact CD2-CG1 3.96Å; A131-I159 HydrophobicContact CB-CD1 3.49Å; A131-I159 VanDerWaalsContact CB-CD1 3.49Å; A131-I159 HydrophobicContact CB-CG1 4.05Å; M135-I159 HydrophobicContact CE-CD1 3.82Å; H142-I159 VanDerWaalsContact CD2-CG2 3.44Å; H142-I159 WeakPolarHBondContact CD2-CG2 3.46Å; H142-I159 WeakPolarHBondContact NE2-CG2 3.48Å; L145-I159 HydrophobicContact CD2-CD1 4.2Å; L145-I159 HydrophobicContact CD2-CG2 3.79Å; I150-I159 HydrophobicContact CD1-CB 4.24Å; I150-I159 HydrophobicContact CD1-CG1 3.87Å; I150-I159 HydrophobicContact CD1-CG2 4.19Å; I157-I159 HydrophobicContact CD1-CG1 4.15Å
160G89Confident72.1Confident1 Ų131 Ų311%0.0118%0.181CC..  trans-131.3-174.3175.700000111.9H142 N149 K158 F162H142-G160 PolarHBondContact NE2-O 3.06Å; N149-G160 PolarHBondContact O-N 3.06Å; K158-G160 PolarHBondContact O-N 3.18Å; G160-F162 VanDerWaalsContact C-N 3.32Å; G160-F162 PolarHBondContact O-N 3Å
161D75Confident69.2Low44 Ų4437 Ų3724%0.23522%0.218CC..  trans5052.3-179.4-82.5-2.9000112.7K47 N149K47-D161 IonicContact NZ-OD1 3.7Å; K47-D161 PolarHBondContact NZ-OD1 2.83Å; K47-D161 IonicContact NZ-OD2 2.73Å; K47-D161 PolarHBondContact NZ-OD2 3.21Å; N149-D161 HydrophobicContact CB-CB 4.24Å; N149-D161 PolarHBondContact ND2-O 3.44Å
162F69.7Low66.1Low12 Ų1242.5 Ų42.55%0.05324%0.244CC..  trans-48.8160.3162.5-66.5-100.4000109.8L69 L72 I77 M135 I140 H142 G160 I164L69-F162 HydrophobicContact CD1-CB 4.01Å; L69-F162 HydrophobicContact CD1-CD2 4.48Å; L69-F162 HydrophobicContact CD1-CG 4.49Å; L69-F162 HydrophobicContact CD2-CB 3.5Å; L69-F162 VanDerWaalsContact CD2-CB 3.5Å; L69-F162 HydrophobicContact CD2-CD1 3.74Å; L69-F162 HydrophobicContact CD2-CD2 3.53Å; L69-F162 HydrophobicContact CD2-CE1 4.32Å; L69-F162 HydrophobicContact CD2-CE2 4.17Å; L69-F162 HydrophobicContact CD2-CG 3.3Å; L69-F162 HydrophobicContact CG-CB 4.4Å; L72-F162 HydrophobicContact CD1-CD1 4.28Å; L72-F162 HydrophobicContact CD1-CE1 3.59Å; L72-F162 HydrophobicContact CD1-CE2 4.26Å; L72-F162 HydrophobicContact CD1-CZ 3.62Å; I77-F162 HydrophobicContact CD1-CZ 4.24Å; I77-F162 HydrophobicContact CG1-CZ 4.45Å; I77-F162 HydrophobicContact CG2-CE2 3.61Å; I77-F162 HydrophobicContact CG2-CZ 3.5Å; M135-F162 HydrophobicContact CG-CE1 4.1Å; M135-F162 HydrophobicContact SD-CD1 4.28Å; M135-F162 HydrophobicContact SD-CE1 3.34Å; M135-F162 WeakPolarHBondContact SD-CE1 3.5Å; M135-F162 HydrophobicContact SD-CZ 3.9Å; I140-F162 HydrophobicContact CG2-CD1 4.5Å; H142-F162 AromaticContact CD2-CD1 3.76Å; H142-F162 AromaticContact CD2-CE1 3.98Å; G160-F162 VanDerWaalsContact C-N 3.32Å; G160-F162 PolarHBondContact O-N 3Å; F162-I164 WeakPolarHBondContact O-CG1 3.36Å; F162-I164 PolarHBondContact O-N 2.67Å
163G56.5Low63Low14 Ų1446.5 Ų46.514%0.14426%0.262CS..THydrogen-bonded Turntrans-5420.4-174.700000118.7E65 S165 R166 S167E65-G163 VanDerWaalsContact OE1-C 3.27Å; G163-S165 PolarHBondContact O-N 3.19Å; G163-R166 WeakPolarHBondContact O-CA 3.48Å; G163-R166 WeakPolarHBondContact O-CB 3.4Å; G163-R166 PolarHBondContact O-N 3.34Å; G163-S167 PolarHBondContact O-N 2.85Å
164I50.8Low60Low9 Ų947.9 Ų47.95%0.04627%0.271CS..Hα-helixtrans-47.5-42.4166.1-38.9175.7000108.7E65 L69 I92 F162 R166 S167 L168E65-I164 VanDerWaalsContact CD-CA 3.47Å; E65-I164 HydrophobicContact CG-CG1 4.16Å; E65-I164 WeakPolarHBondContact OE1-CA 3.45Å; E65-I164 PolarHBondContact OE1-N 3.48Å; L69-I164 HydrophobicContact CD1-CD1 3.18Å; L69-I164 HydrophobicContact CD1-CG1 3.31Å; I92-I164 HydrophobicContact CD1-CD1 3.53Å; F162-I164 WeakPolarHBondContact O-CG1 3.36Å; F162-I164 PolarHBondContact O-N 2.67Å; I164-R166 PolarHBondContact O-N 3.02Å; I164-S167 WeakPolarHBondContact CA-OG 3.4Å; I164-S167 PolarHBondContact O-N 2.71Å; I164-S167 PolarHBondContact O-OG 2.99Å; I164-L168 HydrophobicContact CB-CD1 4.17Å; I164-L168 HydrophobicContact CG2-CD1 3.52Å; I164-L168 HydrophobicContact CG2-CG 4.05Å; I164-L168 WeakPolarHBondContact O-CB 3.45Å; I164-L168 WeakPolarHBondContact O-CD1 3.35Å; I164-L168 WeakPolarHBondContact O-CG 3.4Å; I164-L168 PolarHBondContact O-N 3.07Å
165S43.9Very low57Low43 Ų4346.6 Ų46.630%0.30127%0.274SS..Hα-helixtrans-61.2-28.4176.654.30000113.5G163 A169G163-S165 PolarHBondContact O-N 3.19Å; S165-A169 VanDerWaalsContact O-CB 3.29Å; S165-A169 WeakPolarHBondContact O-CB 3.27Å; S165-A169 PolarHBondContact O-N 3.43Å
166R43.9Very low54Low85 Ų8547.6 Ų47.632%0.32127%0.272SS..Hα-helixtrans-91.6-21.7-174.2-148.8167.4-171.4167.41.7112.7R143 G163 I164 L174R143-R166 PolarHBondContact O-NH1 3.16Å; G163-R166 WeakPolarHBondContact O-CA 3.48Å; G163-R166 WeakPolarHBondContact O-CB 3.4Å; G163-R166 PolarHBondContact O-N 3.34Å; I164-R166 PolarHBondContact O-N 3.02Å; R166-L174 HydrophobicContact CG-CD2 3.81Å
167S40.6Very low51.2Low59 Ų5949.1 Ų49.141%0.41328%0.282SS..Hα-helixtrans-87.6-29.5166.2590000112.3E65 G163 I164 A169E65-S167 VanDerWaalsContact OE2-CB 3.26Å; E65-S167 WeakPolarHBondContact OE2-CB 3.26Å; E65-S167 PolarHBondContact OE2-OG 3.13Å; G163-S167 PolarHBondContact O-N 2.85Å; I164-S167 WeakPolarHBondContact CA-OG 3.4Å; I164-S167 PolarHBondContact O-N 2.71Å; I164-S167 PolarHBondContact O-OG 2.99Å; S167-A169 VanDerWaalsContact C-N 3.27Å
168L39.5Very low48.3Very low27 Ų2751.5 Ų51.514%0.14129%0.293CS..Hα-helixtrans-66.4-30.7169-80161.7000111.7I49 H62 I164 T170I49-L168 HydrophobicContact CD1-CD1 3.44Å; I49-L168 VanDerWaalsContact CD1-CD1 3.44Å; I49-L168 HydrophobicContact CG2-CD1 4.23Å; I49-L168 HydrophobicContact CG2-CD2 4.12Å; H62-L168 WeakPolarHBondContact CE1-CD2 3.49Å; H62-L168 WeakPolarHBondContact NE2-CD2 3.25Å; I164-L168 HydrophobicContact CB-CD1 4.17Å; I164-L168 HydrophobicContact CG2-CD1 3.52Å; I164-L168 HydrophobicContact CG2-CG 4.05Å; I164-L168 WeakPolarHBondContact O-CB 3.45Å; I164-L168 WeakPolarHBondContact O-CD1 3.35Å; I164-L168 WeakPolarHBondContact O-CG 3.4Å; I164-L168 PolarHBondContact O-N 3.07Å; L168-T170 PolarHBondContact O-N 2.94Å
169A31.4Very low45.4Very low12 Ų1257.7 Ų57.710%0.09933%0.325CS..SBendtrans-69.1116.7176.300000110.7S165 S167 E173 L174S165-A169 VanDerWaalsContact O-CB 3.29Å; S165-A169 WeakPolarHBondContact O-CB 3.27Å; S165-A169 PolarHBondContact O-N 3.43Å; S167-A169 VanDerWaalsContact C-N 3.27Å; A169-E173 VanDerWaalsContact CA-OE2 3.3Å; A169-E173 WeakPolarHBondContact CA-OE2 3.48Å; A169-E173 HydrophobicContact CB-CB 3.41Å; A169-E173 VanDerWaalsContact CB-CB 3.41Å; A169-L174 HydrophobicContact CB-CG 4.17Å
170T30.1Very low43Very low69 Ų6959.5 Ų59.542%0.42334%0.344SS..  trans-52.9160.316153.40000110L168 E172 E173 L174L168-T170 PolarHBondContact O-N 2.94Å; T170-E172 PolarHBondContact O-N 3.35Å; T170-E173 CarbonylContact O-C 3.58Å; T170-E173 WeakPolarHBondContact O-CA 3.26Å; T170-E173 WeakPolarHBondContact O-CB 3.45Å; T170-E173 PolarHBondContact O-N 3.07Å; T170-E173 PolarHBondContact OG1-N 3.45Å; T170-E173 VanDerWaalsContact OG1-N 3.17Å; T170-L174 PolarHBondContact O-N 2.78Å
171T34.5Very low41.2Very low125 Ų12562.6 Ų62.677%0.76736%0.363SS*.Hα-helixtrans-53.1-29.9174.9-26.10000111.8L174 A175T171-L174 PolarHBondContact O-N 3.28Å; T171-A175 PolarHBondContact O-N 2.7Å; T171-A175 VanDerWaalsContact O-N 3.08Å
172E30.5Very low40.9Very low154 Ų15460.7 Ų60.772%0.7235%0.353SS*.Hα-helixtrans-71-38.6171.1-64.1178.2169.700112.9T170 L174 A175 T176T170-E172 PolarHBondContact O-N 3.35Å; E172-L174 VanDerWaalsContact C-N 3.33Å; E172-A175 PolarHBondContact O-N 2.99Å; E172-T176 WeakPolarHBondContact O-CG2 3.43Å; E172-T176 PolarHBondContact O-N 3.26Å; E172-T176 PolarHBondContact O-OG1 2.88Å; E172-T176 VanDerWaalsContact O-OG1 3.1Å
173E31.6Very low41.6Very low96 Ų9662.8 Ų62.845%0.44936%0.36SS..Hα-helixtrans-68.7-29.9171.3-78.2-170.7-173.800113.1A169 T170 T176 T177A169-E173 VanDerWaalsContact CA-OE2 3.3Å; A169-E173 WeakPolarHBondContact CA-OE2 3.48Å; A169-E173 HydrophobicContact CB-CB 3.41Å; A169-E173 VanDerWaalsContact CB-CB 3.41Å; T170-E173 CarbonylContact O-C 3.58Å; T170-E173 WeakPolarHBondContact O-CA 3.26Å; T170-E173 WeakPolarHBondContact O-CB 3.45Å; T170-E173 PolarHBondContact O-N 3.07Å; T170-E173 PolarHBondContact OG1-N 3.45Å; T170-E173 VanDerWaalsContact OG1-N 3.17Å; E173-T176 WeakPolarHBondContact CA-OG1 3.14Å; E173-T176 CarbonylContact O-C 3.52Å; E173-T176 PolarHBondContact O-N 3.02Å; E173-T176 PolarHBondContact O-OG1 2.81Å; E173-T177 PolarHBondContact O-N 2.85Å; E173-T177 PolarHBondContact O-OG1 3.39Å
174L30.2Very low43.2Very low71 Ų7163.3 Ų63.337%0.37236%0.358SS..Hα-helixtrans-67.8-40.1171.7-89.4155.4000112.2R166 A169 T170 T171 E172 T177R166-L174 HydrophobicContact CG-CD2 3.81Å; A169-L174 HydrophobicContact CB-CG 4.17Å; T170-L174 PolarHBondContact O-N 2.78Å; T171-L174 PolarHBondContact O-N 3.28Å; E172-L174 VanDerWaalsContact C-N 3.33Å; L174-T177 WeakPolarHBondContact CA-OG1 3.48Å; L174-T177 PolarHBondContact O-N 2.81Å; L174-T177 PolarHBondContact O-OG1 2.82Å
175A28.4Very low45Very low73 Ų7365 Ų6560%0.60337%0.367SS*.Hα-helixtrans-66.9-39.5171.800000111.4T171 E172 T177 F178T171-A175 PolarHBondContact O-N 2.7Å; T171-A175 VanDerWaalsContact O-N 3.08Å; E172-A175 PolarHBondContact O-N 2.99Å; A175-T177 VanDerWaalsContact C-N 3.3Å; A175-T177 PolarHBondContact O-N 3.34Å; A175-F178 PolarHBondContact O-N 3Å
176T27.9Very low47.2Very low66 Ų6663 Ų6341%0.40535%0.352SS..Hα-helixtrans-75.9-10.5171570000113.4E172 E173 F178 I179E172-T176 WeakPolarHBondContact O-CG2 3.43Å; E172-T176 PolarHBondContact O-N 3.26Å; E172-T176 PolarHBondContact O-OG1 2.88Å; E172-T176 VanDerWaalsContact O-OG1 3.1Å; E173-T176 WeakPolarHBondContact CA-OG1 3.14Å; E173-T176 CarbonylContact O-C 3.52Å; E173-T176 PolarHBondContact O-N 3.02Å; E173-T176 PolarHBondContact O-OG1 2.81Å; T176-F178 PolarHBondContact O-N 3.06Å; T176-I179 HydrophobicContact CG2-CD1 3.87Å; T176-I179 WeakPolarHBondContact O-CA 3.47Å; T176-I179 WeakPolarHBondContact O-CB 3.41Å; T176-I179 WeakPolarHBondContact O-CD1 3.36Å; T176-I179 WeakPolarHBondContact O-CG1 3.45Å; T176-I179 PolarHBondContact O-N 2.77Å
177T36.4Very low49.4Very low66 Ų6659 Ų5941%0.40534%0.337SS..G310 helixtrans-75.3-9.4173.8-12.20000112.8E173 L174 A175 I179 G180E173-T177 PolarHBondContact O-N 2.85Å; E173-T177 PolarHBondContact O-OG1 3.39Å; L174-T177 WeakPolarHBondContact CA-OG1 3.48Å; L174-T177 PolarHBondContact O-N 2.81Å; L174-T177 PolarHBondContact O-OG1 2.82Å; A175-T177 VanDerWaalsContact C-N 3.3Å; A175-T177 PolarHBondContact O-N 3.34Å; T177-I179 PolarHBondContact O-N 2.94Å; T177-G180 PolarHBondContact O-N 3.34Å; T177-G180 VanDerWaalsContact O-N 3.12Å
178F34.1Very low51.5Low50 Ų5056.2 Ų56.222%0.21932%0.318CS..G310 helixtrans-60.9-13.4159.9-120.6-104000112.6A175 T176 G180 Y192 L223 M227 N603A175-F178 PolarHBondContact O-N 3Å; T176-F178 PolarHBondContact O-N 3.06Å; F178-G180 VanDerWaalsContact C-N 3.26Å; F178-G180 PolarHBondContact O-N 2.85Å; F178-Y192 WeakPolarHBondContact CE2-OH 3.22Å; F178-Y192 WeakPolarHBondContact CZ-OH 3.32Å; F178-L223 HydrophobicContact CD1-CD2 3.91Å; F178-L223 HydrophobicContact CE1-CD2 4.14Å; F178-M227 HydrophobicContact CD1-CE 4.27Å; F178-M227 HydrophobicContact CE1-CE 3.38Å; F178-M227 HydrophobicContact CE1-SD 4.39Å; F178-M227 HydrophobicContact CZ-CE 3.55Å; F178-N603 HydrophobicContact CE1-CB 4.43Å; F178-N603 WeakPolarHBondContact CE1-OD1 3.38Å
179I35.4Very low53.6Low135 Ų13556 Ų5669%0.69232%0.317SS*.G310 helixtrans-83-0176.5-50.3172.4000111.5T176 T177T176-I179 HydrophobicContact CG2-CD1 3.87Å; T176-I179 WeakPolarHBondContact O-CA 3.47Å; T176-I179 WeakPolarHBondContact O-CB 3.41Å; T176-I179 WeakPolarHBondContact O-CD1 3.36Å; T176-I179 WeakPolarHBondContact O-CG1 3.45Å; T176-I179 PolarHBondContact O-N 2.77Å; T177-I179 PolarHBondContact O-N 2.94Å
180G43.4Very low55.9Low39 Ų3955.8 Ų55.840%0.40232%0.315SS..SBendtrans-104.9116.7166.200000110.9T177 F178T177-G180 PolarHBondContact O-N 3.34Å; T177-G180 VanDerWaalsContact O-N 3.12Å; F178-G180 VanDerWaalsContact C-N 3.26Å; F178-G180 PolarHBondContact O-N 2.85Å
181T51.3Low58Low66 Ų6656.2 Ų56.241%0.40531%0.311SS..  trans-56.3130.3-167.7-31.40000113.1Y183 L223T181-Y183 HydrophobicContact CG2-CD1 4.12Å; T181-Y183 HydrophobicContact CG2-CD2 3.6Å; T181-Y183 HydrophobicContact CG2-CE1 3.65Å; T181-Y183 HydrophobicContact CG2-CE2 3.07Å; T181-Y183 HydrophobicContact CG2-CG 4.09Å; T181-Y183 WeakPolarHBondContact CG2-OH 3.47Å; T181-Y183 PolarHBondContact O-N 2.9Å; T181-L223 HydrophobicContact CG2-CD1 3.68Å
182P68.1Low59.8Low4 Ų454.1 Ų54.13%0.02629%0.289CS..  trans-7225.6-16934.8-41.6000114Y184 M185 L190 L223 M227P182-Y184 PolarHBondContact O-N 2.9Å; P182-M185 HydrophobicContact CB-CB 4.18Å; P182-M185 HydrophobicContact CB-CE 4.43Å; P182-M185 HydrophobicContact CB-CG 4.01Å; P182-M185 HydrophobicContact CB-SD 3.76Å; P182-M185 PolarHBondContact O-N 3.34Å; P182-L190 HydrophobicContact CB-CD2 3.91Å; P182-L223 HydrophobicContact CG-CD1 3.73Å; P182-L223 HydrophobicContact CG-CG 4.09Å; P182-M227 HydrophobicContact CB-CE 3.97Å; P182-M227 HydrophobicContact CG-CE 3.69Å; P182-M227 HydrophobicContact CG-CG 3.9Å
183Y84.4Confident61.7Low55 Ų5553 Ų5322%0.21628%0.284CS..THydrogen-bonded Turntrans-57.5-24.5-172-64.8-57.1000113.8T181 I206 R216 V226T181-Y183 HydrophobicContact CG2-CD1 4.12Å; T181-Y183 HydrophobicContact CG2-CD2 3.6Å; T181-Y183 HydrophobicContact CG2-CE1 3.65Å; T181-Y183 HydrophobicContact CG2-CE2 3.07Å; T181-Y183 HydrophobicContact CG2-CG 4.09Å; T181-Y183 WeakPolarHBondContact CG2-OH 3.47Å; T181-Y183 PolarHBondContact O-N 2.9Å; Y183-I206 WeakPolarHBondContact O-CG2 3.48Å; Y183-R216 HydrophobicContact CD1-CG 4.49Å; Y183-R216 HydrophobicContact CE1-CG 4.47Å; Y183-V226 HydrophobicContact CD1-CG1 3.8Å; Y183-V226 HydrophobicContact CE1-CG1 3.92Å; Y183-V226 HydrophobicContact CE1-CG2 4Å
184Y91.1Very high63.4Low26 Ų2650.2 Ų50.210%0.10228%0.281CS..THydrogen-bonded Turntrans-105.8-4.8-179.9-58-92.1000113.7K146 T147 P182 S203 I206 I207 E210 R216K146-Y184 HydrophobicContact CB-CD1 3.97Å; K146-Y184 HydrophobicContact CB-CD2 3.64Å; K146-Y184 HydrophobicContact CB-CE1 3.84Å; K146-Y184 HydrophobicContact CB-CE2 3.53Å; K146-Y184 HydrophobicContact CB-CG 3.86Å; T147-Y184 PolarHBondContact N-OH 3.19Å; T147-Y184 PolarHBondContact OG1-OH 3.26Å; P182-Y184 PolarHBondContact O-N 2.9Å; Y184-S203 PolarHBondContact O-OG 2.87Å; Y184-I206 HydrophobicContact CD1-CB 3.97Å; Y184-I206 HydrophobicContact CD1-CG2 3.59Å; Y184-I206 HydrophobicContact CE1-CB 4.5Å; Y184-I206 HydrophobicContact CE1-CG2 3.82Å; Y184-I206 HydrophobicContact CG-CG2 4.26Å; Y184-I207 HydrophobicContact CD1-CG1 4.13Å; Y184-I207 HydrophobicContact CE1-CG1 3.79Å; Y184-E210 PolarHBondContact OH-OE1 2.96Å; Y184-E210 PolarHBondContact OH-OE2 2.98Å; Y184-R216 PolarHBondContact OH-NH1 3.36Å
185M87.7Confident65.7Low44 Ų4449.1 Ų49.122%0.21727%0.272CS..  trans-74139.4-178.3-65.7-170.9-174.100110P182 V189 L190 W202P182-M185 HydrophobicContact CB-CB 4.18Å; P182-M185 HydrophobicContact CB-CE 4.43Å; P182-M185 HydrophobicContact CB-CG 4.01Å; P182-M185 HydrophobicContact CB-SD 3.76Å; P182-M185 PolarHBondContact O-N 3.34Å; M185-V189 HydrophobicContact CB-CG1 4.28Å; M185-V189 HydrophobicContact CG-CG1 4.3Å; M185-V189 HydrophobicContact SD-CG1 4.15Å; M185-L190 HydrophobicContact CB-CD2 3.87Å; M185-L190 HydrophobicContact CB-CG 4.07Å; M185-L190 HydrophobicContact SD-CD2 3.88Å; M185-W202 PolarHBondContact O-NE1 3.17Å
186S89.9Confident68.3Low0 Ų047.8 Ų47.80%026%0.255CS..  trans-82.9160.5177.759.80000111.9E188 V189 L190 S199 W202S186-E188 VanDerWaalsContact C-N 3.3Å; S186-E188 VanDerWaalsContact CB-CD 3.45Å; S186-E188 VanDerWaalsContact CB-OE1 3.27Å; S186-E188 WeakPolarHBondContact CB-OE1 3.26Å; S186-E188 WeakPolarHBondContact CB-OE2 3.27Å; S186-E188 PolarHBondContact O-N 2.74Å; S186-E188 PolarHBondContact OG-OE1 3.38Å; S186-E188 PolarHBondContact OG-OE2 2.78Å; S186-E188 VanDerWaalsContact OG-OE2 3.07Å; S186-V189 WeakPolarHBondContact O-CB 3.39Å; S186-V189 PolarHBondContact O-N 2.88Å; S186-V189 WeakPolarHBondContact OG-CG2 3.38Å; S186-L190 PolarHBondContact O-N 3.18Å; S186-S199 WeakPolarHBondContact OG-CB 3.27Å; S186-S199 PolarHBondContact OG-OG 3.12Å; S186-W202 VanDerWaalsContact CA-CD1 3.49Å; S186-W202 VanDerWaalsContact CB-CG 3.43Å
187P90.4Very high71.1Confident1 Ų145.7 Ų45.71%0.00624%0.242CC..Hα-helixtrans-56.3-40.6-177.2-27.736.8000113.7V189 L190 K191 W202 V230 K256P187-V189 VanDerWaalsContact C-N 3.32Å; P187-V189 PolarHBondContact O-N 2.78Å; P187-L190 PolarHBondContact O-N 2.84Å; P187-K191 VanDerWaalsContact O-CB 3.3Å; P187-K191 WeakPolarHBondContact O-CB 3.45Å; P187-K191 WeakPolarHBondContact O-CG 3.47Å; P187-K191 PolarHBondContact O-N 3.44Å; P187-W202 VanDerWaalsContact CD-CZ3 3.49Å; P187-W202 HydrophobicContact CG-CE3 4.24Å; P187-W202 HydrophobicContact CG-CH2 3.63Å; P187-W202 HydrophobicContact CG-CZ2 4.17Å; P187-W202 HydrophobicContact CG-CZ3 3.66Å; P187-V230 HydrophobicContact CG-CG1 4.15Å; P187-K256 HydrophobicContact CG-CD 3.99Å
188E85.8Confident73.9Confident2 Ų244.1 Ų44.11%0.00923%0.229CC..Hα-helixtrans-65.4-33.5177.271.1-78.4-168.900112.3S186 K191 Y192 E193 S199 P258 R261S186-E188 VanDerWaalsContact C-N 3.3Å; S186-E188 VanDerWaalsContact CB-CD 3.45Å; S186-E188 VanDerWaalsContact CB-OE1 3.27Å; S186-E188 WeakPolarHBondContact CB-OE1 3.26Å; S186-E188 WeakPolarHBondContact CB-OE2 3.27Å; S186-E188 PolarHBondContact O-N 2.74Å; S186-E188 PolarHBondContact OG-OE1 3.38Å; S186-E188 PolarHBondContact OG-OE2 2.78Å; S186-E188 VanDerWaalsContact OG-OE2 3.07Å; E188-K191 CarbonylContact O-C 3.52Å; E188-K191 PolarHBondContact O-N 3.15Å; E188-Y192 PolarHBondContact O-N 2.95Å; E188-E193 HydrophobicContact CB-CB 4.1Å; E188-E193 PolarHBondContact O-N 2.86Å; E188-S199 WeakPolarHBondContact OE1-CA 3.47Å; E188-S199 WeakPolarHBondContact OE1-CB 3.33Å; E188-S199 PolarHBondContact OE1-OG 3.29Å; E188-P258 HydrophobicContact CB-CG 3.81Å; E188-P258 HydrophobicContact CG-CG 3.76Å; E188-R261 IonicContact OE1-CZ 2.71Å; E188-R261 IonicContact OE1-NH1 3.25Å; E188-R261 PolarHBondContact OE1-NH1 2.91Å; E188-R261 IonicContact OE1-NH2 2.67Å; E188-R261 PolarHBondContact OE1-NH2 2.76Å; E188-R261 VanDerWaalsContact OE1-NH2 3.11Å; E188-R261 IonicContact OE2-CZ 2.75Å; E188-R261 IonicContact OE2-NH1 2.72Å; E188-R261 IonicContact OE2-NH2 3.29Å; E188-R261 PolarHBondContact OE2-NH2 2.85Å
189V83.4Confident76.6Confident21 Ų2141.7 Ų41.713%0.12722%0.219CC..Hα-helixtrans-71.8-43.1176174.60000110.1M185 S186 P187 K191 Y192 Y195M185-V189 HydrophobicContact CB-CG1 4.28Å; M185-V189 HydrophobicContact CG-CG1 4.3Å; M185-V189 HydrophobicContact SD-CG1 4.15Å; S186-V189 WeakPolarHBondContact O-CB 3.39Å; S186-V189 PolarHBondContact O-N 2.88Å; S186-V189 WeakPolarHBondContact OG-CG2 3.38Å; P187-V189 VanDerWaalsContact C-N 3.32Å; P187-V189 PolarHBondContact O-N 2.78Å; V189-K191 VanDerWaalsContact C-N 3.27Å; V189-K191 PolarHBondContact O-N 2.46Å; V189-Y192 PolarHBondContact O-N 3.34Å; V189-Y192 VanDerWaalsContact O-N 3.1Å; V189-Y195 HydrophobicContact CG1-CD2 4.38Å; V189-Y195 HydrophobicContact CG2-CD2 3.33Å; V189-Y195 HydrophobicContact CG2-CE2 3.96Å; V189-Y195 HydrophobicContact CG2-CG 4.05Å
190L79.9Confident79.3Confident9 Ų935.3 Ų35.35%0.04719%0.186CC..Hα-helixtrans-65.6-31.1173.8-65.9-177.8000112.7P182 M185 S186 P187 Y192 M227 V230 I231P182-L190 HydrophobicContact CB-CD2 3.91Å; M185-L190 HydrophobicContact CB-CD2 3.87Å; M185-L190 HydrophobicContact CB-CG 4.07Å; M185-L190 HydrophobicContact SD-CD2 3.88Å; S186-L190 PolarHBondContact O-N 3.18Å; P187-L190 PolarHBondContact O-N 2.84Å; L190-Y192 VanDerWaalsContact C-N 3.28Å; L190-Y192 WeakPolarHBondContact O-CD2 3.39Å; L190-M227 HydrophobicContact CD1-CB 4.05Å; L190-M227 HydrophobicContact CD1-CG 4.02Å; L190-M227 HydrophobicContact CD2-CE 3.75Å; L190-M227 HydrophobicContact CD2-CG 3.96Å; L190-M227 HydrophobicContact CD2-SD 4.1Å; L190-V230 HydrophobicContact CD1-CB 3.72Å; L190-V230 HydrophobicContact CD1-CG1 3.43Å; L190-V230 VanDerWaalsContact CD1-CG1 3.43Å; L190-V230 HydrophobicContact CD1-CG2 4.37Å; L190-I231 HydrophobicContact CB-CD1 4.29Å; L190-I231 HydrophobicContact CD1-CG1 4.43Å
191K74.7Confident81.9Confident77 Ų7733.4 Ų33.434%0.33517%0.167SC..THydrogen-bonded Turntrans-83.11.2174.1-69.7174.5-173.8-178.10113.2P187 E188 V189 E193 I231 K610P187-K191 VanDerWaalsContact O-CB 3.3Å; P187-K191 WeakPolarHBondContact O-CB 3.45Å; P187-K191 WeakPolarHBondContact O-CG 3.47Å; P187-K191 PolarHBondContact O-N 3.44Å; E188-K191 CarbonylContact O-C 3.52Å; E188-K191 PolarHBondContact O-N 3.15Å; V189-K191 VanDerWaalsContact C-N 3.27Å; V189-K191 PolarHBondContact O-N 2.46Å; K191-E193 HydrophobicContact CB-CG 3.91Å; K191-E193 WeakPolarHBondContact CD-OE1 3.28Å; K191-E193 PolarHBondContact O-N 3.16Å; K191-I231 HydrophobicContact CG-CD1 4.29Å; K191-K610 VanDerWaalsContact C-NZ 3.25Å; K191-K610 WeakPolarHBondContact O-CE 3.34Å; K191-K610 PolarHBondContact O-NZ 3.15Å
192Y70.7Confident84.1Confident81 Ų8130.3 Ų30.332%0.31815%0.147SC..THydrogen-bonded Turntrans57.227.3-178.1-60.8-93.6000114.2F178 E188 V189 L190 G194 N607 K610F178-Y192 WeakPolarHBondContact CE2-OH 3.22Å; F178-Y192 WeakPolarHBondContact CZ-OH 3.32Å; E188-Y192 PolarHBondContact O-N 2.95Å; V189-Y192 PolarHBondContact O-N 3.34Å; V189-Y192 VanDerWaalsContact O-N 3.1Å; L190-Y192 VanDerWaalsContact C-N 3.28Å; L190-Y192 WeakPolarHBondContact O-CD2 3.39Å; Y192-G194 PolarHBondContact O-N 3.31Å; Y192-N607 VanDerWaalsContact CE2-OD1 3.29Å; Y192-N607 WeakPolarHBondContact CE2-OD1 3.35Å; Y192-N607 PolarHBondContact OH-ND2 3.09Å; Y192-N607 PolarHBondContact OH-OD1 3.48Å; Y192-K610 HydrophobicContact CD2-CD 3.44Å; Y192-K610 VanDerWaalsContact CD2-CD 3.44Å; Y192-K610 HydrophobicContact CE2-CD 4.28Å; Y192-K610 HydrophobicContact CG-CB 4.36Å; Y192-K610 HydrophobicContact CG-CD 3.76Å; Y192-K610 HydrophobicContact CG-CG 4.46Å
193E70Confident85.4Confident130 Ų13030.3 Ų30.361%0.60715%0.147SC*.SBendtrans-80.4-2.8175.3-65.7168.2-17800111.9E188 K191E188-E193 HydrophobicContact CB-CB 4.1Å; E188-E193 PolarHBondContact O-N 2.86Å; K191-E193 HydrophobicContact CB-CG 3.91Å; K191-E193 WeakPolarHBondContact CD-OE1 3.28Å; K191-E193 PolarHBondContact O-N 3.16Å
194G67.4Low86Confident38 Ų3827.7 Ų27.739%0.39214%0.137SC..  trans103149.4178.100000113.4Y192Y192-G194 PolarHBondContact O-N 3.31Å
195Y80.3Confident86.3Confident48 Ų4826.5 Ų26.519%0.18813%0.132CC..  trans-86.5132175.5-162.2-75.5000110.1L141 R143 V189 D200L141-Y195 HydrophobicContact CB-CD1 4.49Å; L141-Y195 HydrophobicContact CB-CE1 4.45Å; L141-Y195 HydrophobicContact CD1-CD1 4.18Å; R143-Y195 HydrophobicContact CB-CE1 4.35Å; R143-Y195 HydrophobicContact CG-CD1 3.83Å; R143-Y195 HydrophobicContact CG-CE1 3.92Å; R143-Y195 HydrophobicContact CG-CG 4.23Å; V189-Y195 HydrophobicContact CG1-CD2 4.38Å; V189-Y195 HydrophobicContact CG2-CD2 3.33Å; V189-Y195 HydrophobicContact CG2-CE2 3.96Å; V189-Y195 HydrophobicContact CG2-CG 4.05Å; Y195-D200 WeakPolarHBondContact OH-CA 3.43Å; Y195-D200 PolarHBondContact OH-N 3Å; Y195-D200 PolarHBondContact OH-OD1 2.8Å
196N81.1Confident86.8Confident46 Ų4624.4 Ų24.425%0.24612%0.122CC..  trans-133.2-177.5178.862.451.2000111.5K198 S199N196-K198 VanDerWaalsContact C-N 3.26Å; N196-K198 PolarHBondContact O-N 3.44Å; N196-K198 WeakPolarHBondContact OD1-CA 3.35Å; N196-K198 VanDerWaalsContact OD1-CB 3.24Å; N196-K198 WeakPolarHBondContact OD1-CB 3.22Å; N196-K198 PolarHBondContact OD1-N 3.45Å; N196-S199 PolarHBondContact N-OG 3.06Å; N196-S199 VanDerWaalsContact O-CB 3.23Å; N196-S199 WeakPolarHBondContact O-CB 3.31Å; N196-S199 PolarHBondContact O-N 3.34Å; N196-S199 VanDerWaalsContact O-N 3.1Å; N196-S199 PolarHBondContact O-OG 3.38Å; N196-S199 PolarHBondContact OD1-N 3.15Å; N196-S199 VanDerWaalsContact OD1-N 3.09Å; N196-S199 PolarHBondContact OD1-OG 3.32Å
197N88.1Confident87.2Confident21 Ų2124.4 Ų24.411%0.11212%0.122CC..Hα-helixtrans-61.7-31.3178.563.3-42000113.3H136 L141 S199 D200 Y351H136-N197 PolarHBondContact CE1-O 2.97Å; L141-N197 VanDerWaalsContact CD2-CA 3.45Å; L141-N197 HydrophobicContact CD2-CB 3.83Å; N197-S199 VanDerWaalsContact C-N 3.28Å; N197-S199 PolarHBondContact O-N 3.19Å; N197-D200 PolarHBondContact O-N 2.98Å; N197-Y351 HydrophobicContact CB-CE1 4.42Å; N197-Y351 PolarHBondContact ND2-OH 2.89Å
198K94.5Very high87.5Confident33 Ų3324.4 Ų24.414%0.14312%0.122CC..Hα-helixtrans-71.7-25.8175.6-53-65-17572.80111.6N196 D200 I201 W202 P258 R261 P262N196-K198 VanDerWaalsContact C-N 3.26Å; N196-K198 PolarHBondContact O-N 3.44Å; N196-K198 WeakPolarHBondContact OD1-CA 3.35Å; N196-K198 VanDerWaalsContact OD1-CB 3.24Å; N196-K198 WeakPolarHBondContact OD1-CB 3.22Å; N196-K198 PolarHBondContact OD1-N 3.45Å; K198-D200 VanDerWaalsContact C-N 3.31Å; K198-D200 PolarHBondContact O-N 3.2Å; K198-I201 WeakPolarHBondContact O-CB 3.48Å; K198-I201 PolarHBondContact O-N 3.38Å; K198-I201 VanDerWaalsContact O-N 3.13Å; K198-W202 PolarHBondContact O-N 2.88Å; K198-P258 HydrophobicContact CB-CB 4.2Å; K198-P258 WeakPolarHBondContact CG-O 3.33Å; K198-R261 HydrophobicContact CB-CB 4.35Å; K198-R261 HydrophobicContact CD-CB 4.34Å; K198-R261 WeakPolarHBondContact CD-O 3.43Å; K198-R261 WeakPolarHBondContact CE-O 3.21Å; K198-R261 PolarHBondContact NZ-O 3.48Å; K198-R261 PolarHBondContact O-NH1 2.88Å; K198-P262 WeakPolarHBondContact CD-O 3.49Å
199S90.5Very high88.1Confident0 Ų025.6 Ų25.60%013%0.127CC..Hα-helixtrans-62.4-36.4173.6-46.50000112S186 E188 N196 N197 I201 W202 S203S186-S199 WeakPolarHBondContact OG-CB 3.27Å; S186-S199 PolarHBondContact OG-OG 3.12Å; E188-S199 WeakPolarHBondContact OE1-CA 3.47Å; E188-S199 WeakPolarHBondContact OE1-CB 3.33Å; E188-S199 PolarHBondContact OE1-OG 3.29Å; N196-S199 PolarHBondContact N-OG 3.06Å; N196-S199 VanDerWaalsContact O-CB 3.23Å; N196-S199 WeakPolarHBondContact O-CB 3.31Å; N196-S199 PolarHBondContact O-N 3.34Å; N196-S199 VanDerWaalsContact O-N 3.1Å; N196-S199 PolarHBondContact O-OG 3.38Å; N196-S199 PolarHBondContact OD1-N 3.15Å; N196-S199 VanDerWaalsContact OD1-N 3.09Å; N196-S199 PolarHBondContact OD1-OG 3.32Å; N197-S199 VanDerWaalsContact C-N 3.28Å; N197-S199 PolarHBondContact O-N 3.19Å; S199-I201 VanDerWaalsContact C-N 3.34Å; S199-I201 PolarHBondContact O-N 2.78Å; S199-W202 WeakPolarHBondContact O-CB 3.37Å; S199-W202 PolarHBondContact O-N 2.84Å; S199-S203 PolarHBondContact O-N 3.28Å; S199-S203 VanDerWaalsContact O-N 3.16Å; S199-S203 PolarHBondContact O-OG 2.95Å
200D93.4Very high88.7Confident0 Ų025 Ų250%012%0.123CC..Hα-helixtrans-63-40.4171.9-75.7-37000110.8T132 H136 H142 R143 L145 Y195 N197 K198 W202 S203 I204T132-D200 HydrophobicContact CG2-CB 4.38Å; H136-D200 IonicContact CD2-OD2 2.87Å; H136-D200 IonicContact CE1-OD2 3.57Å; H136-D200 IonicContact NE2-OD2 2.68Å; H136-D200 PolarHBondContact NE2-OD2 3.47Å; H142-D200 WeakPolarHBondContact CB-OD1 3.44Å; H142-D200 PolarHBondContact N-OD1 2.79Å; H142-D200 PolarHBondContact N-OD2 2.81Å; R143-D200 PolarHBondContact N-OD1 2.86Å; R143-D200 VanDerWaalsContact N-OD1 3.17Å; L145-D200 HydrophobicContact CD1-CB 3.79Å; Y195-D200 WeakPolarHBondContact OH-CA 3.43Å; Y195-D200 PolarHBondContact OH-N 3Å; Y195-D200 PolarHBondContact OH-OD1 2.8Å; N197-D200 PolarHBondContact O-N 2.98Å; K198-D200 VanDerWaalsContact C-N 3.31Å; K198-D200 PolarHBondContact O-N 3.2Å; D200-W202 VanDerWaalsContact C-N 3.33Å; D200-W202 PolarHBondContact O-N 2.76Å; D200-S203 PolarHBondContact O-N 2.76Å; D200-S203 VanDerWaalsContact O-N 3.16Å; D200-I204 WeakPolarHBondContact O-CG1 3.49Å; D200-I204 PolarHBondContact O-N 2.82Å
201I97.5Very high89.6Confident0 Ų024.6 Ų24.60%012%0.121CC..Hα-helixtrans-60.8-42.1177.4-55-59.6000111.5T132 K198 S199 I204 G205 M253 A264 L267T132-I201 HydrophobicContact CG2-CD1 4.37Å; K198-I201 WeakPolarHBondContact O-CB 3.48Å; K198-I201 PolarHBondContact O-N 3.38Å; K198-I201 VanDerWaalsContact O-N 3.13Å; S199-I201 VanDerWaalsContact C-N 3.34Å; S199-I201 PolarHBondContact O-N 2.78Å; I201-I204 PolarHBondContact O-N 2.88Å; I201-G205 PolarHBondContact O-N 3.4Å; I201-M253 HydrophobicContact CG2-CB 4.16Å; I201-M253 HydrophobicContact CG2-CE 4.13Å; I201-M253 HydrophobicContact CG2-CG 3.98Å; I201-M253 WeakPolarHBondContact O-CE 3.22Å; I201-A264 HydrophobicContact CD1-CB 3.82Å; I201-L267 HydrophobicContact CG2-CD2 4.41Å
202W97.1Very high90.7Very high0 Ų021 Ų210%011%0.105CC..Hα-helixtrans-58.5-49.3173.6174.5-79.2000111.3M185 S186 P187 K198 S199 D200 I204 G205 I206 F218 V230 L254 K256M185-W202 PolarHBondContact O-NE1 3.17Å; S186-W202 VanDerWaalsContact CA-CD1 3.49Å; S186-W202 VanDerWaalsContact CB-CG 3.43Å; P187-W202 VanDerWaalsContact CD-CZ3 3.49Å; P187-W202 HydrophobicContact CG-CE3 4.24Å; P187-W202 HydrophobicContact CG-CH2 3.63Å; P187-W202 HydrophobicContact CG-CZ2 4.17Å; P187-W202 HydrophobicContact CG-CZ3 3.66Å; K198-W202 PolarHBondContact O-N 2.88Å; S199-W202 WeakPolarHBondContact O-CB 3.37Å; S199-W202 PolarHBondContact O-N 2.84Å; D200-W202 VanDerWaalsContact C-N 3.33Å; D200-W202 PolarHBondContact O-N 2.76Å; W202-I204 VanDerWaalsContact C-N 3.27Å; W202-I204 PolarHBondContact O-N 2.89Å; W202-G205 WeakPolarHBondContact O-CA 3.23Å; W202-G205 PolarHBondContact O-N 3.48Å; W202-I206 HydrophobicContact CZ2-CD1 4.35Å; W202-I206 PolarHBondContact O-N 3.11Å; W202-F218 HydrophobicContact CZ2-CE2 4.03Å; W202-V230 HydrophobicContact CH2-CG1 4.35Å; W202-V230 HydrophobicContact CZ2-CG1 3.73Å; W202-L254 HydrophobicContact CD2-CD2 3.75Å; W202-L254 HydrophobicContact CE3-CB 4.47Å; W202-L254 HydrophobicContact CE3-CD2 3.92Å; W202-L254 HydrophobicContact CG-CD2 4.2Å; W202-L254 HydrophobicContact CH2-CD2 4.37Å; W202-L254 HydrophobicContact CZ2-CD2 4.19Å; W202-L254 HydrophobicContact CZ3-CB 4.21Å; W202-L254 HydrophobicContact CZ3-CD2 4.24Å; W202-L254 VanDerWaalsContact CZ3-O 3.28Å; W202-L254 WeakPolarHBondContact CZ3-O 3.41Å; W202-K256 HydrophobicContact CH2-CD 4.02Å; W202-K256 HydrophobicContact CZ3-CD 4.13Å
203S95.4Very high91.9Very high4 Ų417.6 Ų17.63%0.0289%0.092CC..Hα-helixtrans-60.2-36.6179.4-58.60000112.2Y184 S199 D200 I206 I207Y184-S203 PolarHBondContact O-OG 2.87Å; S199-S203 PolarHBondContact O-N 3.28Å; S199-S203 VanDerWaalsContact O-N 3.16Å; S199-S203 PolarHBondContact O-OG 2.95Å; D200-S203 PolarHBondContact O-N 2.76Å; D200-S203 VanDerWaalsContact O-N 3.16Å; S203-I206 PolarHBondContact O-N 2.71Å; S203-I207 WeakPolarHBondContact O-CG1 3.42Å; S203-I207 PolarHBondContact O-N 2.72Å
204I97.5Very high93Very high1 Ų112 Ų121%0.0057%0.066CC..Hα-helixtrans-65.8-38.8171.8-59.1167.4000110.9L125 L128 T132 L145 D200 I201 W202 I206 I207 L208 M253L125-I204 HydrophobicContact CD1-CG2 3.97Å; L128-I204 HydrophobicContact CB-CG2 4.24Å; L128-I204 HydrophobicContact CD1-CG2 4.26Å; T132-I204 HydrophobicContact CG2-CD1 4.15Å; T132-I204 WeakPolarHBondContact OG1-CD1 3.18Å; L145-I204 HydrophobicContact CD1-CD1 4.18Å; L145-I204 HydrophobicContact CD1-CG1 3.83Å; D200-I204 WeakPolarHBondContact O-CG1 3.49Å; D200-I204 PolarHBondContact O-N 2.82Å; I201-I204 PolarHBondContact O-N 2.88Å; W202-I204 VanDerWaalsContact C-N 3.27Å; W202-I204 PolarHBondContact O-N 2.89Å; I204-I206 VanDerWaalsContact C-N 3.32Å; I204-I206 PolarHBondContact O-N 3.35Å; I204-I207 CarbonylContact O-C 3.42Å; I204-I207 WeakPolarHBondContact O-CB 3.33Å; I204-I207 PolarHBondContact O-N 3.35Å; I204-I207 VanDerWaalsContact O-N 3.14Å; I204-L208 WeakPolarHBondContact O-CB 3.22Å; I204-L208 PolarHBondContact O-N 2.85Å; I204-M253 HydrophobicContact CB-CE 3.5Å; I204-M253 HydrophobicContact CG2-CE 3.39Å
205G98Very high94.2Very high0 Ų018 Ų180%08%0.077CC..Hα-helixtrans-60.2-41.7174.900000112.1I201 W202 L208 Y209 L250 M253I201-G205 PolarHBondContact O-N 3.4Å; W202-G205 WeakPolarHBondContact O-CA 3.23Å; W202-G205 PolarHBondContact O-N 3.48Å; G205-L208 WeakPolarHBondContact O-CB 3.42Å; G205-L208 PolarHBondContact O-N 3.37Å; G205-Y209 PolarHBondContact O-N 3.09Å; G205-L250 WeakPolarHBondContact O-CD1 3.28Å; G205-M253 VanDerWaalsContact N-CE 3.34Å
206I97.3Very high94.8Very high0 Ų020 Ų200%08%0.084CC..Hα-helixtrans-62.2-45.7172.2-58.3-59000110.9Y183 Y184 W202 S203 I204 L208 Y209 E210 A217 F218 L254Y183-I206 WeakPolarHBondContact O-CG2 3.48Å; Y184-I206 HydrophobicContact CD1-CB 3.97Å; Y184-I206 HydrophobicContact CD1-CG2 3.59Å; Y184-I206 HydrophobicContact CE1-CB 4.5Å; Y184-I206 HydrophobicContact CE1-CG2 3.82Å; Y184-I206 HydrophobicContact CG-CG2 4.26Å; W202-I206 HydrophobicContact CZ2-CD1 4.35Å; W202-I206 PolarHBondContact O-N 3.11Å; S203-I206 PolarHBondContact O-N 2.71Å; I204-I206 VanDerWaalsContact C-N 3.32Å; I204-I206 PolarHBondContact O-N 3.35Å; I206-L208 VanDerWaalsContact C-N 3.31Å; I206-L208 PolarHBondContact O-N 3.08Å; I206-Y209 WeakPolarHBondContact O-CB 3.44Å; I206-Y209 PolarHBondContact O-N 3.29Å; I206-E210 WeakPolarHBondContact O-CG 3.35Å; I206-E210 PolarHBondContact O-N 3.43Å; I206-A217 HydrophobicContact CD1-CB 3.82Å; I206-A217 HydrophobicContact CG2-CB 4.4Å; I206-F218 HydrophobicContact CD1-CD2 4.24Å; I206-F218 HydrophobicContact CD1-CE2 3.81Å; I206-L254 HydrophobicContact CD1-CD1 4.3Å; I206-L254 HydrophobicContact CD1-CD2 3.78Å; I206-L254 HydrophobicContact CG1-CD2 4.2Å
207I97.4Very high95.3Very high0 Ų018.5 Ų18.50%08%0.079CC..Hα-helixtrans-58.5-43.6176-68.3164.2000110.9L128 L145 T147 I150 Y184 S203 I204 Y209 E210 L211L128-I207 HydrophobicContact CD1-CG2 4.09Å; L145-I207 HydrophobicContact CB-CD1 4.29Å; T147-I207 HydrophobicContact CG2-CB 4.49Å; T147-I207 HydrophobicContact CG2-CG1 4.16Å; T147-I207 HydrophobicContact CG2-CG2 4.12Å; I150-I207 HydrophobicContact CG1-CD1 4.32Å; Y184-I207 HydrophobicContact CD1-CG1 4.13Å; Y184-I207 HydrophobicContact CE1-CG1 3.79Å; S203-I207 WeakPolarHBondContact O-CG1 3.42Å; S203-I207 PolarHBondContact O-N 2.72Å; I204-I207 CarbonylContact O-C 3.42Å; I204-I207 WeakPolarHBondContact O-CB 3.33Å; I204-I207 PolarHBondContact O-N 3.35Å; I204-I207 VanDerWaalsContact O-N 3.14Å; I207-Y209 VanDerWaalsContact C-N 3.35Å; I207-Y209 PolarHBondContact O-N 2.96Å; I207-E210 PolarHBondContact O-N 3.49Å; I207-E210 VanDerWaalsContact O-N 3.16Å; I207-L211 HydrophobicContact CG2-CD1 4.19Å; I207-L211 HydrophobicContact CG2-CG 4.31Å; I207-L211 WeakPolarHBondContact O-CG 3.45Å; I207-L211 PolarHBondContact O-N 3.33Å
208L98.1Very high95.4Very high1 Ų118 Ų181%0.0058%0.075CC..Hα-helixtrans-59-45.5177.2175.960000111.5I121 L125 I204 G205 I206 E210 L211 C212 L246 V249 L250 M253I121-L208 HydrophobicContact CG2-CD1 3.39Å; L125-L208 HydrophobicContact CD1-CD2 4.34Å; L125-L208 HydrophobicContact CD2-CD1 4.28Å; L125-L208 HydrophobicContact CD2-CD2 4.07Å; I204-L208 WeakPolarHBondContact O-CB 3.22Å; I204-L208 PolarHBondContact O-N 2.85Å; G205-L208 WeakPolarHBondContact O-CB 3.42Å; G205-L208 PolarHBondContact O-N 3.37Å; I206-L208 VanDerWaalsContact C-N 3.31Å; I206-L208 PolarHBondContact O-N 3.08Å; L208-E210 VanDerWaalsContact C-N 3.34Å; L208-E210 PolarHBondContact O-N 3.38Å; L208-L211 WeakPolarHBondContact O-CB 3.25Å; L208-L211 PolarHBondContact O-N 3.16Å; L208-C212 PolarHBondContact O-N 3.42Å; L208-C212 PolarHBondContact O-SG 3.36Å; L208-L246 HydrophobicContact CD1-CD1 4.11Å; L208-L246 HydrophobicContact CD2-CD1 4.21Å; L208-V249 HydrophobicContact CD2-CG1 4.39Å; L208-L250 HydrophobicContact CB-CD1 4.39Å; L208-L250 HydrophobicContact CD2-CB 4.29Å; L208-L250 HydrophobicContact CD2-CD1 4.21Å; L208-L250 HydrophobicContact CG-CD1 4.38Å; L208-M253 HydrophobicContact CD2-SD 4.26Å
209Y97.8Very high94.9Very high28 Ų2820.8 Ų20.811%0.1110%0.095CC..Hα-helixtrans-60.1-43.6174.8-179-87.6000111.9G205 I206 I207 L211 C212 T213 R216 A217 P236 L238 L250G205-Y209 PolarHBondContact O-N 3.09Å; I206-Y209 WeakPolarHBondContact O-CB 3.44Å; I206-Y209 PolarHBondContact O-N 3.29Å; I207-Y209 VanDerWaalsContact C-N 3.35Å; I207-Y209 PolarHBondContact O-N 2.96Å; Y209-L211 PolarHBondContact O-N 3.24Å; Y209-C212 PolarHBondContact O-N 2.76Å; Y209-T213 HydrophobicContact CD1-CG2 4.29Å; Y209-T213 WeakPolarHBondContact CD1-OG1 3.27Å; Y209-T213 HydrophobicContact CD2-CG2 4.14Å; Y209-T213 HydrophobicContact CE1-CG2 3.89Å; Y209-T213 WeakPolarHBondContact CE1-OG1 3.49Å; Y209-T213 HydrophobicContact CE2-CG2 3.73Å; Y209-T213 HydrophobicContact CG-CG2 4.43Å; Y209-T213 WeakPolarHBondContact O-CB 3.45Å; Y209-T213 WeakPolarHBondContact O-CG2 3.25Å; Y209-T213 PolarHBondContact O-N 3.29Å; Y209-T213 PolarHBondContact O-OG1 2.81Å; Y209-R216 WeakPolarHBondContact CE1-O 3.47Å; Y209-A217 VanDerWaalsContact CD1-CA 3.42Å; Y209-A217 HydrophobicContact CD1-CB 3.65Å; Y209-A217 HydrophobicContact CE1-CB 4.08Å; Y209-A217 HydrophobicContact CG-CB 4.04Å; Y209-P236 HydrophobicContact CD2-CB 4Å; Y209-P236 HydrophobicContact CD2-CG 3.7Å; Y209-P236 HydrophobicContact CE2-CB 3.51Å; Y209-P236 HydrophobicContact CE2-CG 3.77Å; Y209-P236 HydrophobicContact CG-CG 4.3Å; Y209-L238 HydrophobicContact CD2-CD2 3.81Å; Y209-L238 HydrophobicContact CE2-CD2 4.35Å; Y209-L250 HydrophobicContact CD2-CD2 4Å
210E97Very high94.3Very high8 Ų822.2 Ų22.24%0.03711%0.11CC..Hα-helixtrans-65.3-38177.4-63.8-156.9166.100112.4L106 T147 Y184 I206 I207 L208 C212 T213 Q214 R216L106-E210 HydrophobicContact CD1-CB 4.16Å; T147-E210 HydrophobicContact CG2-CB 4.35Å; T147-E210 WeakPolarHBondContact CG2-OE2 3.48Å; T147-E210 PolarHBondContact OG1-OE2 3Å; Y184-E210 PolarHBondContact OH-OE1 2.96Å; Y184-E210 PolarHBondContact OH-OE2 2.98Å; I206-E210 WeakPolarHBondContact O-CG 3.35Å; I206-E210 PolarHBondContact O-N 3.43Å; I207-E210 PolarHBondContact O-N 3.49Å; I207-E210 VanDerWaalsContact O-N 3.16Å; L208-E210 VanDerWaalsContact C-N 3.34Å; L208-E210 PolarHBondContact O-N 3.38Å; E210-C212 VanDerWaalsContact C-N 3.31Å; E210-C212 PolarHBondContact O-N 3.49Å; E210-T213 PolarHBondContact O-N 2.96Å; E210-Q214 WeakPolarHBondContact O-CA 3.22Å; E210-Q214 PolarHBondContact O-N 3.18Å; E210-R216 VanDerWaalsContact CD-NH1 3.29Å; E210-R216 WeakPolarHBondContact OE1-CD 3.4Å; E210-R216 IonicContact OE1-CZ 3.6Å; E210-R216 IonicContact OE1-NE 2.92Å; E210-R216 IonicContact OE1-NH1 2.76Å; E210-R216 PolarHBondContact OE1-NH1 3.36Å; E210-R216 IonicContact OE2-NH1 3.58Å; E210-R216 PolarHBondContact OE2-NH1 2.95Å; E210-R216 VanDerWaalsContact OE2-NH1 3.11Å
211L97.6Very high93.4Very high1 Ų128.4 Ų28.41%0.00515%0.148CC..Hα-helixtrans-59.9-42.6174.5-74.1175.9000111.2L102 L106 I116 I121 W124 I207 L208 Y209 Q214L102-L211 HydrophobicContact CD1-CD2 4.16Å; L102-L211 HydrophobicContact CD2-CD2 4.45Å; L106-L211 HydrophobicContact CD2-CD2 4.11Å; I116-L211 HydrophobicContact CD1-CD2 4.13Å; I121-L211 HydrophobicContact CG1-CB 4.38Å; I121-L211 HydrophobicContact CG2-CB 4.43Å; W124-L211 HydrophobicContact CE3-CD1 4.22Å; W124-L211 HydrophobicContact CE3-CD2 3.67Å; W124-L211 HydrophobicContact CZ3-CD2 3.73Å; I207-L211 HydrophobicContact CG2-CD1 4.19Å; I207-L211 HydrophobicContact CG2-CG 4.31Å; I207-L211 WeakPolarHBondContact O-CG 3.45Å; I207-L211 PolarHBondContact O-N 3.33Å; L208-L211 WeakPolarHBondContact O-CB 3.25Å; L208-L211 PolarHBondContact O-N 3.16Å; Y209-L211 PolarHBondContact O-N 3.24Å; L211-Q214 PolarHBondContact O-NE2 2.79Å
212C97.4Very high92.2Very high0 Ų031.6 Ų31.60%017%0.165CC..Hα-helixtrans-72.3-42-179.4-63.50000112.5I121 L208 Y209 E210 Q214 L238 Y242I121-C212 HydrophobicContact CD1-CB 4.47Å; L208-C212 PolarHBondContact O-N 3.42Å; L208-C212 PolarHBondContact O-SG 3.36Å; Y209-C212 PolarHBondContact O-N 2.76Å; E210-C212 VanDerWaalsContact C-N 3.31Å; E210-C212 PolarHBondContact O-N 3.49Å; C212-Q214 PolarHBondContact O-NE2 3.24Å; C212-L238 HydrophobicContact CB-CD2 3.53Å; C212-Y242 WeakPolarHBondContact CA-OH 3.37Å; C212-Y242 HydrophobicContact CB-CD2 3.99Å; C212-Y242 HydrophobicContact CB-CE2 3.57Å; C212-Y242 VanDerWaalsContact O-CE2 3.26Å; C212-Y242 WeakPolarHBondContact O-CE2 3.42Å; C212-Y242 PolarHBondContact O-OH 2.82Å
213T95.7Very high90.9Very high10 Ų1032.8 Ų32.86%0.06117%0.172CC..Hα-helixtrans-106.6-18.7-166.566.60000115.1Y209 E210 R215 L238 P239Y209-T213 HydrophobicContact CD1-CG2 4.29Å; Y209-T213 WeakPolarHBondContact CD1-OG1 3.27Å; Y209-T213 HydrophobicContact CD2-CG2 4.14Å; Y209-T213 HydrophobicContact CE1-CG2 3.89Å; Y209-T213 WeakPolarHBondContact CE1-OG1 3.49Å; Y209-T213 HydrophobicContact CE2-CG2 3.73Å; Y209-T213 HydrophobicContact CG-CG2 4.43Å; Y209-T213 WeakPolarHBondContact O-CB 3.45Å; Y209-T213 WeakPolarHBondContact O-CG2 3.25Å; Y209-T213 PolarHBondContact O-N 3.29Å; Y209-T213 PolarHBondContact O-OG1 2.81Å; E210-T213 PolarHBondContact O-N 2.96Å; T213-R215 WeakPolarHBondContact O-CG 3.28Å; T213-R215 PolarHBondContact O-N 3.33Å; T213-R215 PolarHBondContact OG1-N 2.83Å; T213-R215 PolarHBondContact OG1-O 3.17Å; T213-L238 HydrophobicContact CG2-CD2 4.37Å; T213-P239 HydrophobicContact CG2-CG 4.13Å
214Q94.3Very high89.7Confident13 Ų1334.2 Ų34.26%0.06118%0.178CC..SBendtrans52.929.5-168.7-52.979.147.400112.7L106 V109 K110 E210 L211 C212L106-Q214 HydrophobicContact CD2-CG 3.93Å; V109-Q214 HydrophobicContact CG1-CG 4.42Å; K110-Q214 HydrophobicContact CB-CB 4.13Å; K110-Q214 HydrophobicContact CD-CB 4.37Å; K110-Q214 HydrophobicContact CG-CB 4.46Å; K110-Q214 PolarHBondContact NZ-O 2.83Å; E210-Q214 WeakPolarHBondContact O-CA 3.22Å; E210-Q214 PolarHBondContact O-N 3.18Å; L211-Q214 PolarHBondContact O-NE2 2.79Å; C212-Q214 PolarHBondContact O-NE2 3.24Å
215R93Very high88.8Confident164 Ų16439.5 Ų39.562%0.61920%0.198SC*.SBendtrans-134.4156.7-179.7-65.2173.9-172.9-170.20.1109.4T213T213-R215 WeakPolarHBondContact O-CG 3.28Å; T213-R215 PolarHBondContact O-N 3.33Å; T213-R215 PolarHBondContact OG1-N 2.83Å; T213-R215 PolarHBondContact OG1-O 3.17Å
216R91.4Very high88Confident90 Ų9039.6 Ų39.634%0.3420%0.199SC..  trans-66.6143.8171.8-59.9-56-169.8-164.5-4109.8Y183 Y184 Y209 E210 T219Y183-R216 HydrophobicContact CD1-CG 4.49Å; Y183-R216 HydrophobicContact CE1-CG 4.47Å; Y184-R216 PolarHBondContact OH-NH1 3.36Å; Y209-R216 WeakPolarHBondContact CE1-O 3.47Å; E210-R216 VanDerWaalsContact CD-NH1 3.29Å; E210-R216 WeakPolarHBondContact OE1-CD 3.4Å; E210-R216 IonicContact OE1-CZ 3.6Å; E210-R216 IonicContact OE1-NE 2.92Å; E210-R216 IonicContact OE1-NH1 2.76Å; E210-R216 PolarHBondContact OE1-NH1 3.36Å; E210-R216 IonicContact OE2-NH1 3.58Å; E210-R216 PolarHBondContact OE2-NH1 2.95Å; E210-R216 VanDerWaalsContact OE2-NH1 3.11Å; R216-T219 HydrophobicContact CB-CG2 3.71Å; R216-T219 HydrophobicContact CG-CG2 4.44Å
217A92.6Very high87.3Confident15 Ų1540.1 Ų40.112%0.12420%0.201CC..SBendtrans-63.7-45176.100000112.5I206 Y209 P236I206-A217 HydrophobicContact CD1-CB 3.82Å; I206-A217 HydrophobicContact CG2-CB 4.4Å; Y209-A217 VanDerWaalsContact CD1-CA 3.42Å; Y209-A217 HydrophobicContact CD1-CB 3.65Å; Y209-A217 HydrophobicContact CE1-CB 4.08Å; Y209-A217 HydrophobicContact CG-CB 4.04Å; A217-P236 HydrophobicContact CB-CG 4.24Å
218F89.8Confident86.6Confident10 Ų1046.1 Ų46.14%0.04422%0.224CC..SBendtrans-123.4130.8179.4-56.2-75.7000109.1W202 I206 V226 Q229 V230 D233W202-F218 HydrophobicContact CZ2-CE2 4.03Å; I206-F218 HydrophobicContact CD1-CD2 4.24Å; I206-F218 HydrophobicContact CD1-CE2 3.81Å; F218-V226 HydrophobicContact CB-CG1 4.12Å; F218-Q229 HydrophobicContact CB-CB 4.24Å; F218-Q229 HydrophobicContact CD1-CB 3.77Å; F218-Q229 HydrophobicContact CG-CB 4.32Å; F218-V230 HydrophobicContact CB-CG2 4.19Å; F218-V230 HydrophobicContact CD2-CG2 3.51Å; F218-V230 HydrophobicContact CE2-CG2 4.04Å; F218-V230 HydrophobicContact CG-CG2 3.88Å; F218-D233 HydrophobicContact CE1-CB 4.27Å
219T84Confident86.2Confident91 Ų9147.1 Ų47.156%0.55823%0.229SC*.  trans-136.9129-178.855.40000109.4R216 Q229R216-T219 HydrophobicContact CB-CG2 3.71Å; R216-T219 HydrophobicContact CG-CG2 4.44Å; T219-Q229 VanDerWaalsContact C-OE1 3.29Å; T219-Q229 VanDerWaalsContact N-OE1 3.11Å; T219-Q229 PolarHBondContact O-NE2 2.98Å; T219-Q229 VanDerWaalsContact O-NE2 3.12Å; T219-Q229 PolarHBondContact O-OE1 2.81Å
220G77Confident85.7Confident31 Ų3145.8 Ų45.832%0.3222%0.223SC..  trans-137.9166.1178.900000110.9N222 V226G220-N222 PolarHBondContact O-N 2.99Å; G220-V226 VanDerWaalsContact N-CG2 3.3Å
221T75.4Confident85.3Confident130 Ų13047.4 Ų47.480%0.79823%0.232SC*.SBendtrans-65.1-26.5175.247.40000112.3
222N71.5Confident84.8Confident67 Ų6751.6 Ų51.636%0.35825%0.254SS..SBendtrans-145.6176.2176.662.437.7000110.9G220 M224 R225 V226G220-N222 PolarHBondContact O-N 2.99Å; N222-M224 VanDerWaalsContact C-N 3.33Å; N222-M224 PolarHBondContact O-N 3.36Å; N222-M224 PolarHBondContact OD1-N 3.05Å; N222-R225 PolarHBondContact O-N 3.21Å; N222-R225 WeakPolarHBondContact OD1-CB 3.03Å; N222-R225 PolarHBondContact OD1-N 3.31Å; N222-V226 PolarHBondContact O-N 3.13Å
223L69.8Low84.5Confident25 Ų2553.6 Ų53.613%0.13127%0.265CS..Hα-helixtrans-58.2-44.9-178.2-156.566.7000112.8F178 T181 P182 R225 V226 M227 T599F178-L223 HydrophobicContact CD1-CD2 3.91Å; F178-L223 HydrophobicContact CE1-CD2 4.14Å; T181-L223 HydrophobicContact CG2-CD1 3.68Å; P182-L223 HydrophobicContact CG-CD1 3.73Å; P182-L223 HydrophobicContact CG-CG 4.09Å; L223-R225 VanDerWaalsContact C-N 3.32Å; L223-R225 PolarHBondContact O-N 3.22Å; L223-V226 WeakPolarHBondContact O-CB 3.12Å; L223-V226 PolarHBondContact O-N 2.86Å; L223-V226 VanDerWaalsContact O-N 3.13Å; L223-M227 HydrophobicContact CD2-CE 3.92Å; L223-M227 HydrophobicContact CG-CE 4.05Å; L223-M227 WeakPolarHBondContact O-CG 3.36Å; L223-M227 PolarHBondContact O-N 3.36Å; L223-T599 HydrophobicContact CB-CG2 4.34Å
224M70.5Confident84.3Confident34 Ų3458.3 Ų58.317%0.16730%0.295CS..Hα-helixtrans-64.6-38.1-177.3-72.6-53.4-168.100112.3N222 V226 M227 W228 D602 N603 L606N222-M224 VanDerWaalsContact C-N 3.33Å; N222-M224 PolarHBondContact O-N 3.36Å; N222-M224 PolarHBondContact OD1-N 3.05Å; M224-V226 VanDerWaalsContact C-N 3.33Å; M224-V226 PolarHBondContact O-N 2.87Å; M224-M227 PolarHBondContact O-N 3.48Å; M224-M227 HydrophobicContact SD-SD 4.05Å; M224-W228 VanDerWaalsContact O-CB 3.24Å; M224-W228 WeakPolarHBondContact O-CB 3.15Å; M224-W228 PolarHBondContact O-N 3.21Å; M224-D602 HydrophobicContact CE-CB 3.73Å; M224-D602 WeakPolarHBondContact CE-O 3.35Å; M224-D602 HydrophobicContact CG-CB 3.93Å; M224-N603 HydrophobicContact CE-CB 4.18Å; M224-N603 VanDerWaalsContact CE-N 3.31Å; M224-N603 WeakPolarHBondContact CE-OD1 2.97Å; M224-L606 HydrophobicContact CE-CB 4.43Å; M224-L606 HydrophobicContact CE-CD2 4.44Å
225R78.7Confident84.2Confident112 Ų11258.8 Ų58.842%0.42330%0.3SS..Hα-helixtrans-61.2-45.6173.4-17760.2175.4178.71.2110.5N222 L223 W228 Q229N222-R225 PolarHBondContact O-N 3.21Å; N222-R225 WeakPolarHBondContact OD1-CB 3.03Å; N222-R225 PolarHBondContact OD1-N 3.31Å; L223-R225 VanDerWaalsContact C-N 3.32Å; L223-R225 PolarHBondContact O-N 3.22Å; R225-W228 PolarHBondContact O-N 3.33Å; R225-Q229 WeakPolarHBondContact O-CG 3Å; R225-Q229 PolarHBondContact O-N 2.84Å
226V81.9Confident84.3Confident2 Ų251.9 Ų51.91%0.01228%0.276CS..Hα-helixtrans-61.1-46.6176.3177.20000110.9Y183 F218 G220 N222 L223 M224 W228 Q229 V230Y183-V226 HydrophobicContact CD1-CG1 3.8Å; Y183-V226 HydrophobicContact CE1-CG1 3.92Å; Y183-V226 HydrophobicContact CE1-CG2 4Å; F218-V226 HydrophobicContact CB-CG1 4.12Å; G220-V226 VanDerWaalsContact N-CG2 3.3Å; N222-V226 PolarHBondContact O-N 3.13Å; L223-V226 WeakPolarHBondContact O-CB 3.12Å; L223-V226 PolarHBondContact O-N 2.86Å; L223-V226 VanDerWaalsContact O-N 3.13Å; M224-V226 VanDerWaalsContact C-N 3.33Å; M224-V226 PolarHBondContact O-N 2.87Å; V226-W228 VanDerWaalsContact C-N 3.34Å; V226-W228 PolarHBondContact O-N 2.88Å; V226-Q229 PolarHBondContact O-N 2.83Å; V226-V230 WeakPolarHBondContact O-CG2 3.43Å; V226-V230 PolarHBondContact O-N 2.89Å
227M82.6Confident84.5Confident10 Ų1053.5 Ų53.55%0.04929%0.288CS..Hα-helixtrans-61.1-42.8177.7-69.8-173.8171.100112.3F178 P182 L190 L223 M224 Q229 V230 I231F178-M227 HydrophobicContact CD1-CE 4.27Å; F178-M227 HydrophobicContact CE1-CE 3.38Å; F178-M227 HydrophobicContact CE1-SD 4.39Å; F178-M227 HydrophobicContact CZ-CE 3.55Å; P182-M227 HydrophobicContact CB-CE 3.97Å; P182-M227 HydrophobicContact CG-CE 3.69Å; P182-M227 HydrophobicContact CG-CG 3.9Å; L190-M227 HydrophobicContact CD1-CB 4.05Å; L190-M227 HydrophobicContact CD1-CG 4.02Å; L190-M227 HydrophobicContact CD2-CE 3.75Å; L190-M227 HydrophobicContact CD2-CG 3.96Å; L190-M227 HydrophobicContact CD2-SD 4.1Å; L223-M227 HydrophobicContact CD2-CE 3.92Å; L223-M227 HydrophobicContact CG-CE 4.05Å; L223-M227 WeakPolarHBondContact O-CG 3.36Å; L223-M227 PolarHBondContact O-N 3.36Å; M224-M227 PolarHBondContact O-N 3.48Å; M224-M227 HydrophobicContact SD-SD 4.05Å; M227-Q229 VanDerWaalsContact C-N 3.33Å; M227-Q229 PolarHBondContact O-N 3.17Å; M227-V230 WeakPolarHBondContact O-CB 3.13Å; M227-V230 PolarHBondContact O-N 3.41Å; M227-I231 WeakPolarHBondContact O-CG1 3.08Å; M227-I231 PolarHBondContact O-N 3.07Å
228W83.4Confident84.7Confident127 Ų12753.8 Ų53.848%0.48129%0.287SS..Hα-helixtrans-62-41.9176.9-172.994.6000111.3M224 R225 V226 I231 N232 D233M224-W228 VanDerWaalsContact O-CB 3.24Å; M224-W228 WeakPolarHBondContact O-CB 3.15Å; M224-W228 PolarHBondContact O-N 3.21Å; R225-W228 PolarHBondContact O-N 3.33Å; V226-W228 VanDerWaalsContact C-N 3.34Å; V226-W228 PolarHBondContact O-N 2.88Å; W228-I231 PolarHBondContact O-N 3.2Å; W228-N232 VanDerWaalsContact CD1-ND2 3.3Å; W228-N232 HydrophobicContact CD2-CB 4.25Å; W228-N232 HydrophobicContact CE3-CB 4.34Å; W228-N232 HydrophobicContact CH2-CB 4.17Å; W228-N232 HydrophobicContact CZ2-CB 4.07Å; W228-N232 HydrophobicContact CZ3-CB 4.31Å; W228-N232 PolarHBondContact NE1-ND2 2.91Å; W228-N232 VanDerWaalsContact O-CB 3.32Å; W228-N232 WeakPolarHBondContact O-CB 3.22Å; W228-N232 PolarHBondContact O-N 2.59Å; W228-N232 PolarHBondContact O-ND2 2.72Å; W228-D233 WeakPolarHBondContact CZ3-OD1 3.19Å
229Q88.1Confident85Confident22 Ų2255.6 Ų55.610%0.10330%0.3CS..Hα-helixtrans-64.4-44.1174.2-66.9176.7-30.700111.4F218 T219 R225 V226 M227 I231 N232 D233F218-Q229 HydrophobicContact CB-CB 4.24Å; F218-Q229 HydrophobicContact CD1-CB 3.77Å; F218-Q229 HydrophobicContact CG-CB 4.32Å; T219-Q229 VanDerWaalsContact C-OE1 3.29Å; T219-Q229 VanDerWaalsContact N-OE1 3.11Å; T219-Q229 PolarHBondContact O-NE2 2.98Å; T219-Q229 VanDerWaalsContact O-NE2 3.12Å; T219-Q229 PolarHBondContact O-OE1 2.81Å; R225-Q229 WeakPolarHBondContact O-CG 3Å; R225-Q229 PolarHBondContact O-N 2.84Å; V226-Q229 PolarHBondContact O-N 2.83Å; M227-Q229 VanDerWaalsContact C-N 3.33Å; M227-Q229 PolarHBondContact O-N 3.17Å; Q229-I231 PolarHBondContact O-N 3.22Å; Q229-N232 PolarHBondContact O-N 2.78Å; Q229-D233 HydrophobicContact CB-CB 4.15Å; Q229-D233 WeakPolarHBondContact CB-OD2 3.23Å; Q229-D233 WeakPolarHBondContact CG-OD2 3.47Å; Q229-D233 WeakPolarHBondContact O-CA 3.22Å; Q229-D233 VanDerWaalsContact O-CB 3.26Å; Q229-D233 WeakPolarHBondContact O-CB 3.33Å; Q229-D233 PolarHBondContact O-N 3.41Å
230V88.4Confident85.5Confident0 Ų060.7 Ų60.70%032%0.318CS..Hα-helixtrans-56.5-40.4175.5167.80000111.1P187 L190 W202 F218 V226 M227 K256P187-V230 HydrophobicContact CG-CG1 4.15Å; L190-V230 HydrophobicContact CD1-CB 3.72Å; L190-V230 HydrophobicContact CD1-CG1 3.43Å; L190-V230 VanDerWaalsContact CD1-CG1 3.43Å; L190-V230 HydrophobicContact CD1-CG2 4.37Å; W202-V230 HydrophobicContact CH2-CG1 4.35Å; W202-V230 HydrophobicContact CZ2-CG1 3.73Å; F218-V230 HydrophobicContact CB-CG2 4.19Å; F218-V230 HydrophobicContact CD2-CG2 3.51Å; F218-V230 HydrophobicContact CE2-CG2 4.04Å; F218-V230 HydrophobicContact CG-CG2 3.88Å; V226-V230 WeakPolarHBondContact O-CG2 3.43Å; V226-V230 PolarHBondContact O-N 2.89Å; M227-V230 WeakPolarHBondContact O-CB 3.13Å; M227-V230 PolarHBondContact O-N 3.41Å; V230-K256 WeakPolarHBondContact O-CE 3.49Å; V230-K256 PolarHBondContact O-NZ 3.43Å
231I88Confident86.4Confident42 Ų4264.7 Ų64.722%0.21533%0.33CS..Hα-helixtrans-77.4-42.4-179.3-66.1168.2000112.1L190 K191 M227 W228 Q229L190-I231 HydrophobicContact CB-CD1 4.29Å; L190-I231 HydrophobicContact CD1-CG1 4.43Å; K191-I231 HydrophobicContact CG-CD1 4.29Å; M227-I231 WeakPolarHBondContact O-CG1 3.08Å; M227-I231 PolarHBondContact O-N 3.07Å; W228-I231 PolarHBondContact O-N 3.2Å; Q229-I231 PolarHBondContact O-N 3.22Å
232N87.8Confident87.4Confident89 Ų8959.3 Ų59.348%0.47630%0.296SS..Hα-helixtrans-114.1-31.7-164.2-58.9-65000115.1W228 Q229W228-N232 VanDerWaalsContact CD1-ND2 3.3Å; W228-N232 HydrophobicContact CD2-CB 4.25Å; W228-N232 HydrophobicContact CE3-CB 4.34Å; W228-N232 HydrophobicContact CH2-CB 4.17Å; W228-N232 HydrophobicContact CZ2-CB 4.07Å; W228-N232 HydrophobicContact CZ3-CB 4.31Å; W228-N232 PolarHBondContact NE1-ND2 2.91Å; W228-N232 VanDerWaalsContact O-CB 3.32Å; W228-N232 WeakPolarHBondContact O-CB 3.22Å; W228-N232 PolarHBondContact O-N 2.59Å; W228-N232 PolarHBondContact O-ND2 2.72Å; Q229-N232 PolarHBondContact O-N 2.78Å
233D90.5Very high88.6Confident42 Ų4257.5 Ų57.523%0.22529%0.288CS..SBendtrans-69.4148.7-177.1-76.212.3000110.6F218 W228 Q229 K256F218-D233 HydrophobicContact CE1-CB 4.27Å; W228-D233 WeakPolarHBondContact CZ3-OD1 3.19Å; Q229-D233 HydrophobicContact CB-CB 4.15Å; Q229-D233 WeakPolarHBondContact CB-OD2 3.23Å; Q229-D233 WeakPolarHBondContact CG-OD2 3.47Å; Q229-D233 WeakPolarHBondContact O-CA 3.22Å; Q229-D233 VanDerWaalsContact O-CB 3.26Å; Q229-D233 WeakPolarHBondContact O-CB 3.33Å; Q229-D233 PolarHBondContact O-N 3.41Å; D233-K256 WeakPolarHBondContact O-CE 3.24Å; D233-K256 PolarHBondContact O-NZ 3.28Å
234P91.4Very high89.9Confident108 Ų10864.3 Ų64.370%0.70132%0.316SS*.PPolyproline II helixtrans-61.4168.4172.927.8-35.4000112.1
235C93.1Very high91.1Very high23 Ų2367.7 Ų67.716%0.15533%0.332CS..PPolyproline II helixtrans-57.4131.8172.9-177.20000110.1E251C235-E251 HydrophobicContact CB-CG 3.93Å
236P94.6Very high92Very high19 Ų1962.4 Ų62.412%0.12331%0.312CS..PPolyproline II helixtrans-65.7152.417731.1-37.9000110.9Y209 A217 Q247 L254Y209-P236 HydrophobicContact CD2-CB 4Å; Y209-P236 HydrophobicContact CD2-CG 3.7Å; Y209-P236 HydrophobicContact CE2-CB 3.51Å; Y209-P236 HydrophobicContact CE2-CG 3.77Å; Y209-P236 HydrophobicContact CG-CG 4.3Å; A217-P236 HydrophobicContact CB-CG 4.24Å; P236-Q247 PolarHBondContact O-NE2 3.31Å; P236-L254 HydrophobicContact CG-CD1 4.22Å
237Q96.3Very high92.7Very high125 Ų12563.1 Ų63.158%0.58432%0.315SS*.PPolyproline II helixtrans-95.7136.3-176.4-63.8-65.1-56.700110.9E251Q237-E251 PolarHBondContact NE2-OE1 3.22Å
238L96.6Very high93.4Very high20 Ų2066.9 Ų66.911%0.10534%0.335CS..PPolyproline II helixtrans-76.5152.1173.2-65.6-178.3000111.1Y209 C212 T213 Y242 L246 Q247 L250Y209-L238 HydrophobicContact CD2-CD2 3.81Å; Y209-L238 HydrophobicContact CE2-CD2 4.35Å; C212-L238 HydrophobicContact CB-CD2 3.53Å; T213-L238 HydrophobicContact CG2-CD2 4.37Å; L238-Y242 HydrophobicContact CB-CD2 4.49Å; L238-L246 HydrophobicContact CD1-CB 4.42Å; L238-L246 HydrophobicContact CD1-CD2 4.09Å; L238-L246 HydrophobicContact CD1-CG 3.96Å; L238-Q247 VanDerWaalsContact CB-OE1 3.29Å; L238-Q247 VanDerWaalsContact CG-OE1 3.23Å; L238-L250 HydrophobicContact CD1-CD2 4.22Å; L238-L250 HydrophobicContact CD2-CD2 3.79Å; L238-L250 HydrophobicContact CG-CD2 3.76Å
239P95.5Very high94.1Very high48 Ų4860.9 Ų60.931%0.31231%0.313SS..PPolyproline II helixtrans-57.2141.5170.6-26.935.5000112.2T213 I241 Y242T213-P239 HydrophobicContact CG2-CG 4.13Å; P239-I241 HydrophobicContact CB-CG1 3.9Å; P239-I241 PolarHBondContact O-N 2.91Å; P239-Y242 HydrophobicContact CB-CD2 4.13Å; P239-Y242 HydrophobicContact CB-CE2 4.22Å; P239-Y242 HydrophobicContact CG-CD2 4.3Å; P239-Y242 HydrophobicContact CG-CE2 4.12Å; P239-Y242 WeakPolarHBondContact O-CD2 3.1Å; P239-Y242 PolarHBondContact O-N 2.93Å
240E94.9Very high94.5Very high199 Ų19959.9 Ų59.993%0.9331%0.308SS*.THydrogen-bonded Turntrans-58.5-12.8-177.2-63-178170.800115.3Y242E240-Y242 PolarHBondContact O-N 2.81Å
241I95.1Very high95Very high115 Ų11562.9 Ų62.959%0.5932%0.322SS*.THydrogen-bonded Turntrans-68.5-18.9174.259.1164.9000113.1R115 P239R115-I241 HydrophobicContact CB-CD1 4.36Å; R115-I241 HydrophobicContact CG-CD1 4.11Å; P239-I241 HydrophobicContact CB-CG1 3.9Å; P239-I241 PolarHBondContact O-N 2.91Å
242Y96.8Very high95.4Very high17 Ų1764.4 Ų64.47%0.06733%0.33CS..SBendtrans-97.6153177-57.9-68.9000110.5I116 E118 I121 C212 L238 P239 E240 L246I116-Y242 WeakPolarHBondContact O-CE1 3.32Å; I116-Y242 PolarHBondContact O-OH 2.97Å; E118-Y242 HydrophobicContact CB-CD1 4.2Å; E118-Y242 VanDerWaalsContact OE2-CA 3.3Å; E118-Y242 WeakPolarHBondContact OE2-CA 3.3Å; I121-Y242 HydrophobicContact CD1-CD1 4.3Å; I121-Y242 HydrophobicContact CD1-CE1 3.52Å; C212-Y242 WeakPolarHBondContact CA-OH 3.37Å; C212-Y242 HydrophobicContact CB-CD2 3.99Å; C212-Y242 HydrophobicContact CB-CE2 3.57Å; C212-Y242 VanDerWaalsContact O-CE2 3.26Å; C212-Y242 WeakPolarHBondContact O-CE2 3.42Å; C212-Y242 PolarHBondContact O-OH 2.82Å; L238-Y242 HydrophobicContact CB-CD2 4.49Å; P239-Y242 HydrophobicContact CB-CD2 4.13Å; P239-Y242 HydrophobicContact CB-CE2 4.22Å; P239-Y242 HydrophobicContact CG-CD2 4.3Å; P239-Y242 HydrophobicContact CG-CE2 4.12Å; P239-Y242 WeakPolarHBondContact O-CD2 3.1Å; P239-Y242 PolarHBondContact O-N 2.93Å; E240-Y242 PolarHBondContact O-N 2.81Å; Y242-L246 HydrophobicContact CD1-CD2 4.31Å; Y242-L246 HydrophobicContact CG-CD2 4.36Å
243S96.6Very high95.9Very high28 Ų2860.1 Ų60.120%0.19631%0.308CS..  trans-64.3150.7-178680000112.3E118 E245 L246 Q247E118-S243 VanDerWaalsContact CD-OG 3.28Å; E118-S243 WeakPolarHBondContact OE1-CB 3.29Å; E118-S243 PolarHBondContact OE1-OG 2.86Å; E118-S243 PolarHBondContact OE2-N 3.23Å; E118-S243 PolarHBondContact OE2-OG 3.16Å; S243-E245 VanDerWaalsContact CB-OE2 3.32Å; S243-E245 WeakPolarHBondContact CB-OE2 3.46Å; S243-E245 PolarHBondContact O-N 3.44Å; S243-L246 PolarHBondContact O-N 2.99Å; S243-L246 VanDerWaalsContact O-N 3.17Å; S243-L246 WeakPolarHBondContact OG-CB 3.32Å; S243-L246 PolarHBondContact OG-N 3.18Å; S243-L246 VanDerWaalsContact OG-N 3.16Å; S243-Q247 PolarHBondContact O-N 3.09Å
244K96.5Very high96.2Very high168 Ų16858.4 Ų58.473%0.7330%0.298SS*.Hα-helixtrans-64.9-32.5173.6-70-174.1177.4-176.40110.6L246 Q247 D248K244-L246 VanDerWaalsContact C-N 3.25Å; K244-L246 PolarHBondContact O-N 2.74Å; K244-Q247 CarbonylContact O-C 3.59Å; K244-Q247 WeakPolarHBondContact O-CA 3.35Å; K244-Q247 WeakPolarHBondContact O-CB 3.35Å; K244-Q247 PolarHBondContact O-N 2.7Å; K244-D248 VanDerWaalsContact O-CG 3.23Å; K244-D248 PolarHBondContact O-N 2.92Å
245E96.2Very high96.5Very high106 Ų10657.1 Ų57.150%0.49528%0.282SS..Hα-helixtrans-58.9-36.3174.6-66.278.8-177.300111.9S243 V249 T272S243-E245 VanDerWaalsContact CB-OE2 3.32Å; S243-E245 WeakPolarHBondContact CB-OE2 3.46Å; S243-E245 PolarHBondContact O-N 3.44Å; E245-V249 WeakPolarHBondContact O-CG2 3.33Å; E245-V249 PolarHBondContact O-N 2.94Å; E245-T272 HydrophobicContact CB-CG2 3.73Å
246L97.2Very high96.5Very high0 Ų058.6 Ų58.60%029%0.285CS..Hα-helixtrans-72.7-38.2173.4-170.465.2000112.2E118 I121 L125 L208 L238 Y242 S243 K244 D248 V249 L250 Y276E118-L246 HydrophobicContact CG-CD2 4.24Å; I121-L246 HydrophobicContact CG2-CD2 4.39Å; L125-L246 HydrophobicContact CD2-CD1 4.33Å; L208-L246 HydrophobicContact CD1-CD1 4.11Å; L208-L246 HydrophobicContact CD2-CD1 4.21Å; L238-L246 HydrophobicContact CD1-CB 4.42Å; L238-L246 HydrophobicContact CD1-CD2 4.09Å; L238-L246 HydrophobicContact CD1-CG 3.96Å; Y242-L246 HydrophobicContact CD1-CD2 4.31Å; Y242-L246 HydrophobicContact CG-CD2 4.36Å; S243-L246 PolarHBondContact O-N 2.99Å; S243-L246 VanDerWaalsContact O-N 3.17Å; S243-L246 WeakPolarHBondContact OG-CB 3.32Å; S243-L246 PolarHBondContact OG-N 3.18Å; S243-L246 VanDerWaalsContact OG-N 3.16Å; K244-L246 VanDerWaalsContact C-N 3.25Å; K244-L246 PolarHBondContact O-N 2.74Å; L246-D248 VanDerWaalsContact C-N 3.33Å; L246-V249 PolarHBondContact O-N 2.82Å; L246-L250 PolarHBondContact O-N 3.39Å; L246-Y276 HydrophobicContact CD1-CE2 4.13Å
247Q97.5Very high96.5Very high18 Ų1860.4 Ų60.48%0.08430%0.296CS..Hα-helixtrans-60.4-43.2172.5176.963.937.200111.1P236 L238 S243 K244 V249 L250 E251P236-Q247 PolarHBondContact O-NE2 3.31Å; L238-Q247 VanDerWaalsContact CB-OE1 3.29Å; L238-Q247 VanDerWaalsContact CG-OE1 3.23Å; S243-Q247 PolarHBondContact O-N 3.09Å; K244-Q247 CarbonylContact O-C 3.59Å; K244-Q247 WeakPolarHBondContact O-CA 3.35Å; K244-Q247 WeakPolarHBondContact O-CB 3.35Å; K244-Q247 PolarHBondContact O-N 2.7Å; Q247-V249 VanDerWaalsContact C-N 3.33Å; Q247-V249 PolarHBondContact O-N 3.07Å; Q247-L250 WeakPolarHBondContact O-CB 3.36Å; Q247-L250 PolarHBondContact O-N 2.95Å; Q247-L250 VanDerWaalsContact O-N 3.14Å; Q247-E251 PolarHBondContact NE2-OE1 3.27Å; Q247-E251 WeakPolarHBondContact O-CG 3.44Å; Q247-E251 PolarHBondContact O-N 3.34Å
248D96.9Very high96.3Very high88 Ų8855 Ų5547%0.47127%0.272SS..Hα-helixtrans-61.8-41.8177.7-65.4-20.8000111.3K244 L246 E251 L252K244-D248 VanDerWaalsContact O-CG 3.23Å; K244-D248 PolarHBondContact O-N 2.92Å; L246-D248 VanDerWaalsContact C-N 3.33Å; D248-E251 PolarHBondContact O-N 3Å; D248-L252 WeakPolarHBondContact O-CG 3.3Å; D248-L252 PolarHBondContact O-N 3.21Å
249V97.5Very high96.2Very high2 Ų261 Ų611%0.01230%0.299CS..Hα-helixtrans-61.2-44.2173.9170.40000111L125 L208 E245 L246 Q247 E251 L252 M253 L267 T272 V273L125-V249 HydrophobicContact CD2-CG1 4.12Å; L208-V249 HydrophobicContact CD2-CG1 4.39Å; E245-V249 WeakPolarHBondContact O-CG2 3.33Å; E245-V249 PolarHBondContact O-N 2.94Å; L246-V249 PolarHBondContact O-N 2.82Å; Q247-V249 VanDerWaalsContact C-N 3.33Å; Q247-V249 PolarHBondContact O-N 3.07Å; V249-E251 VanDerWaalsContact C-N 3.33Å; V249-E251 PolarHBondContact O-N 3.33Å; V249-L252 PolarHBondContact O-N 3.43Å; V249-M253 HydrophobicContact CG1-SD 3.98Å; V249-M253 VanDerWaalsContact O-CG 3.28Å; V249-M253 WeakPolarHBondContact O-CG 3.14Å; V249-M253 PolarHBondContact O-N 3.08Å; V249-M253 VanDerWaalsContact O-N 3.08Å; V249-L267 HydrophobicContact CG1-CD1 4.27Å; V249-T272 HydrophobicContact CG2-CG2 3.99Å; V249-V273 HydrophobicContact CG1-CG2 3.98Å; V249-V273 HydrophobicContact CG2-CG2 4.01Å
250L97.9Very high96.2Very high0 Ų063.9 Ų63.90%031%0.309CS..Hα-helixtrans-60-43.9176.5-178.969.2000111.5G205 L208 Y209 L238 L246 Q247 L252 M253 L254G205-L250 WeakPolarHBondContact O-CD1 3.28Å; L208-L250 HydrophobicContact CB-CD1 4.39Å; L208-L250 HydrophobicContact CD2-CB 4.29Å; L208-L250 HydrophobicContact CD2-CD1 4.21Å; L208-L250 HydrophobicContact CG-CD1 4.38Å; Y209-L250 HydrophobicContact CD2-CD2 4Å; L238-L250 HydrophobicContact CD1-CD2 4.22Å; L238-L250 HydrophobicContact CD2-CD2 3.79Å; L238-L250 HydrophobicContact CG-CD2 3.76Å; L246-L250 PolarHBondContact O-N 3.39Å; Q247-L250 WeakPolarHBondContact O-CB 3.36Å; Q247-L250 PolarHBondContact O-N 2.95Å; Q247-L250 VanDerWaalsContact O-N 3.14Å; L250-L252 VanDerWaalsContact C-N 3.35Å; L250-L252 PolarHBondContact O-N 3.15Å; L250-M253 PolarHBondContact O-N 3.17Å; L250-L254 HydrophobicContact CD1-CD1 3.71Å; L250-L254 HydrophobicContact CD1-CG 4.13Å; L250-L254 HydrophobicContact CG-CD1 4Å; L250-L254 HydrophobicContact CG-CG 4.49Å; L250-L254 WeakPolarHBondContact O-CB 3.39Å; L250-L254 PolarHBondContact O-N 3.33Å
251E97.3Very high96.2Very high64 Ų6454.5 Ų54.530%0.29927%0.265SS..Hα-helixtrans-65-36.3179.1-74.3-177.4-168.800113C235 Q237 Q247 D248 V249 L254 K255C235-E251 HydrophobicContact CB-CG 3.93Å; Q237-E251 PolarHBondContact NE2-OE1 3.22Å; Q247-E251 PolarHBondContact NE2-OE1 3.27Å; Q247-E251 WeakPolarHBondContact O-CG 3.44Å; Q247-E251 PolarHBondContact O-N 3.34Å; D248-E251 PolarHBondContact O-N 3Å; V249-E251 VanDerWaalsContact C-N 3.33Å; V249-E251 PolarHBondContact O-N 3.33Å; E251-L254 PolarHBondContact O-N 3.47Å; E251-K255 WeakPolarHBondContact O-CG 3.32Å; E251-K255 PolarHBondContact O-N 3.45Å
252L97Very high96.3Very high73 Ų7350 Ų5038%0.38224%0.243SC..Hα-helixtrans-63.1-42.4171.7-71.5172.1000111.5D248 V249 L250 P262D248-L252 WeakPolarHBondContact O-CG 3.3Å; D248-L252 PolarHBondContact O-N 3.21Å; V249-L252 PolarHBondContact O-N 3.43Å; L250-L252 VanDerWaalsContact C-N 3.35Å; L250-L252 PolarHBondContact O-N 3.15Å; L252-P262 HydrophobicContact CB-CG 4.37Å; L252-P262 WeakPolarHBondContact O-CD 3.37Å
253M97.9Very high96.2Very high0 Ų050.3 Ų50.30%025%0.248CC..Hα-helixtrans-73.5-25.2-179.6-64.7175.780.700113.4L125 I201 I204 G205 L208 V249 L250 R261 L267L125-M253 HydrophobicContact CD1-CE 4.35Å; L125-M253 HydrophobicContact CD1-SD 4.33Å; I201-M253 HydrophobicContact CG2-CB 4.16Å; I201-M253 HydrophobicContact CG2-CE 4.13Å; I201-M253 HydrophobicContact CG2-CG 3.98Å; I201-M253 WeakPolarHBondContact O-CE 3.22Å; I204-M253 HydrophobicContact CB-CE 3.5Å; I204-M253 HydrophobicContact CG2-CE 3.39Å; G205-M253 VanDerWaalsContact N-CE 3.34Å; L208-M253 HydrophobicContact CD2-SD 4.26Å; V249-M253 HydrophobicContact CG1-SD 3.98Å; V249-M253 VanDerWaalsContact O-CG 3.28Å; V249-M253 WeakPolarHBondContact O-CG 3.14Å; V249-M253 PolarHBondContact O-N 3.08Å; V249-M253 VanDerWaalsContact O-N 3.08Å; L250-M253 PolarHBondContact O-N 3.17Å; M253-R261 WeakPolarHBondContact O-CD 3.47Å; M253-L267 HydrophobicContact CE-CD2 3.81Å; M253-L267 HydrophobicContact CG-CD1 4.25Å; M253-L267 HydrophobicContact CG-CD2 3.83Å; M253-L267 HydrophobicContact SD-CD2 3.81Å
254L97.3Very high96.2Very high5 Ų549 Ų493%0.02624%0.239CC..THydrogen-bonded Turntrans-106.222.4-178.2-61.9-175.1000113.7W202 I206 P236 L250 E251 K256W202-L254 HydrophobicContact CD2-CD2 3.75Å; W202-L254 HydrophobicContact CE3-CB 4.47Å; W202-L254 HydrophobicContact CE3-CD2 3.92Å; W202-L254 HydrophobicContact CG-CD2 4.2Å; W202-L254 HydrophobicContact CH2-CD2 4.37Å; W202-L254 HydrophobicContact CZ2-CD2 4.19Å; W202-L254 HydrophobicContact CZ3-CB 4.21Å; W202-L254 HydrophobicContact CZ3-CD2 4.24Å; W202-L254 VanDerWaalsContact CZ3-O 3.28Å; W202-L254 WeakPolarHBondContact CZ3-O 3.41Å; I206-L254 HydrophobicContact CD1-CD1 4.3Å; I206-L254 HydrophobicContact CD1-CD2 3.78Å; I206-L254 HydrophobicContact CG1-CD2 4.2Å; P236-L254 HydrophobicContact CG-CD1 4.22Å; L250-L254 HydrophobicContact CD1-CD1 3.71Å; L250-L254 HydrophobicContact CD1-CG 4.13Å; L250-L254 HydrophobicContact CG-CD1 4Å; L250-L254 HydrophobicContact CG-CG 4.49Å; L250-L254 WeakPolarHBondContact O-CB 3.39Å; L250-L254 PolarHBondContact O-N 3.33Å; E251-L254 PolarHBondContact O-N 3.47Å; L254-K256 PolarHBondContact O-N 3.14Å
255K96.9Very high96Very high82 Ų8244 Ų4436%0.35722%0.224SC..  trans-60.2131.4166.7-66.6-65.7-175.9178.20110.4E251 E260 R261E251-K255 WeakPolarHBondContact O-CG 3.32Å; E251-K255 PolarHBondContact O-N 3.45Å; K255-E260 HydrophobicContact CB-CB 3.89Å; K255-E260 HydrophobicContact CG-CB 4.08Å; K255-R261 HydrophobicContact CB-CG 3.93Å; K255-R261 PolarHBondContact O-NE 3Å
256K94.2Very high95.9Very high53 Ų5343.8 Ų43.823%0.2322%0.224CC..SBendtrans-63.8-46.9-175.1-56.9-56.2-173.5-1780111.2P187 W202 V230 D233 L254 P258 R261P187-K256 HydrophobicContact CG-CD 3.99Å; W202-K256 HydrophobicContact CH2-CD 4.02Å; W202-K256 HydrophobicContact CZ3-CD 4.13Å; V230-K256 WeakPolarHBondContact O-CE 3.49Å; V230-K256 PolarHBondContact O-NZ 3.43Å; D233-K256 WeakPolarHBondContact O-CE 3.24Å; D233-K256 PolarHBondContact O-NZ 3.28Å; L254-K256 PolarHBondContact O-N 3.14Å; K256-P258 WeakPolarHBondContact O-CD 3.27Å; K256-R261 PolarHBondContact O-NH2 3.35Å
257T93.7Very high95.8Very high57 Ų5743.8 Ų43.835%0.3522%0.224SC..SBendtrans-70.9121.4175.3-46.80000110.1Q259 E260T257-Q259 HydrophobicContact CG2-CB 4.29Å; T257-Q259 VanDerWaalsContact CG2-OE1 3.28Å; T257-Q259 PolarHBondContact O-N 3.16Å; T257-E260 VanDerWaalsContact CB-OE1 3.28Å; T257-E260 WeakPolarHBondContact CB-OE1 3.39Å; T257-E260 HydrophobicContact CG2-CG 4.28Å; T257-E260 PolarHBondContact O-N 3.17Å; T257-E260 VanDerWaalsContact O-N 3.15Å; T257-E260 PolarHBondContact OG1-OE1 2.57Å
258P92.7Very high95.5Very high11 Ų1143.9 Ų43.97%0.07123%0.225CC..G310 helixtrans-57.7-33.1179.8-2230.1000114.3E188 K198 K256 E260 R261E188-P258 HydrophobicContact CB-CG 3.81Å; E188-P258 HydrophobicContact CG-CG 3.76Å; K198-P258 HydrophobicContact CB-CB 4.2Å; K198-P258 WeakPolarHBondContact CG-O 3.33Å; K256-P258 WeakPolarHBondContact O-CD 3.27Å; P258-E260 VanDerWaalsContact C-N 3.28Å; P258-E260 PolarHBondContact O-N 3.41Å; P258-R261 PolarHBondContact O-N 2.79Å
259Q93.7Very high95.1Very high147 Ų14746.6 Ų46.669%0.68724%0.235SC*.G310 helixtrans-69.1-27.4-178.8-66.874.311.500112.3T257T257-Q259 HydrophobicContact CG2-CB 4.29Å; T257-Q259 VanDerWaalsContact CG2-OE1 3.28Å; T257-Q259 PolarHBondContact O-N 3.16Å
260E95.6Very high94.9Very high109 Ų10947.8 Ų47.851%0.50924%0.243SC..G310 helixtrans-81.7-17.1176.6-66.5170.7-145.500112.9K255 T257 P258K255-E260 HydrophobicContact CB-CB 3.89Å; K255-E260 HydrophobicContact CG-CB 4.08Å; T257-E260 VanDerWaalsContact CB-OE1 3.28Å; T257-E260 WeakPolarHBondContact CB-OE1 3.39Å; T257-E260 HydrophobicContact CG2-CG 4.28Å; T257-E260 PolarHBondContact O-N 3.17Å; T257-E260 VanDerWaalsContact O-N 3.15Å; T257-E260 PolarHBondContact OG1-OE1 2.57Å; P258-E260 VanDerWaalsContact C-N 3.28Å; P258-E260 PolarHBondContact O-N 3.41Å
261R96.6Very high94.5Very high2 Ų254.8 Ų54.81%0.00828%0.28CS..SBendtrans-73.9137.5172.3-78.9177.3-101.6155.9-3.2109.7E188 K198 M253 K255 K256 P258E188-R261 IonicContact OE1-CZ 2.71Å; E188-R261 IonicContact OE1-NH1 3.25Å; E188-R261 PolarHBondContact OE1-NH1 2.91Å; E188-R261 IonicContact OE1-NH2 2.67Å; E188-R261 PolarHBondContact OE1-NH2 2.76Å; E188-R261 VanDerWaalsContact OE1-NH2 3.11Å; E188-R261 IonicContact OE2-CZ 2.75Å; E188-R261 IonicContact OE2-NH1 2.72Å; E188-R261 IonicContact OE2-NH2 3.29Å; E188-R261 PolarHBondContact OE2-NH2 2.85Å; K198-R261 HydrophobicContact CB-CB 4.35Å; K198-R261 HydrophobicContact CD-CB 4.34Å; K198-R261 WeakPolarHBondContact CD-O 3.43Å; K198-R261 WeakPolarHBondContact CE-O 3.21Å; K198-R261 PolarHBondContact NZ-O 3.48Å; K198-R261 PolarHBondContact O-NH1 2.88Å; M253-R261 WeakPolarHBondContact O-CD 3.47Å; K255-R261 HydrophobicContact CB-CG 3.93Å; K255-R261 PolarHBondContact O-NE 3Å; K256-R261 PolarHBondContact O-NH2 3.35Å; P258-R261 PolarHBondContact O-N 2.79Å
262P96.3Very high94.3Very high21 Ų2153 Ų5314%0.13627%0.274CS..PPolyproline II helixtrans-65.6151.4169.729.3-33.6000110.4K198 L252 E266 L267K198-P262 WeakPolarHBondContact CD-O 3.49Å; L252-P262 HydrophobicContact CB-CG 4.37Å; L252-P262 WeakPolarHBondContact O-CD 3.37Å; P262-E266 HydrophobicContact CB-CB 3.88Å; P262-L267 HydrophobicContact CB-CB 4.32Å; P262-L267 HydrophobicContact CG-CB 4.2Å; P262-L267 HydrophobicContact CG-CD1 3.85Å
263S95.5Very high94.1Very high22 Ų2249.5 Ų49.515%0.15426%0.256CS..PPolyproline II helixtrans-67.3165.6161.863.80000110.5S265 E266 L267S263-S265 PolarHBondContact O-N 2.97Å; S263-E266 VanDerWaalsContact CB-OE2 3.29Å; S263-E266 WeakPolarHBondContact CB-OE2 3.39Å; S263-E266 PolarHBondContact N-OE2 3.09Å; S263-E266 PolarHBondContact O-N 3.34Å; S263-E266 WeakPolarHBondContact OG-CB 3.49Å; S263-E266 VanDerWaalsContact OG-CD 3.24Å; S263-E266 VanDerWaalsContact OG-CG 3.27Å; S263-E266 WeakPolarHBondContact OG-CG 3.32Å; S263-E266 PolarHBondContact OG-N 3.34Å; S263-E266 PolarHBondContact OG-OE2 3.44Å; S263-L267 WeakPolarHBondContact O-CB 3.47Å; S263-L267 PolarHBondContact O-N 2.73Å
264A95Very high93.7Very high1 Ų151.8 Ų51.81%0.00827%0.266CS..Hα-helixtrans-56.8-39.2176.300000111.8I129 T132 V133 I201 L267 L268I129-A264 HydrophobicContact CG2-CB 4.21Å; I129-A264 VanDerWaalsContact CG2-O 3.26Å; I129-A264 WeakPolarHBondContact CG2-O 3.48Å; T132-A264 HydrophobicContact CG2-CB 3.94Å; V133-A264 HydrophobicContact CB-CB 4.44Å; V133-A264 HydrophobicContact CG2-CB 3.48Å; V133-A264 VanDerWaalsContact CG2-CB 3.48Å; I201-A264 HydrophobicContact CD1-CB 3.82Å; A264-L267 PolarHBondContact O-N 2.84Å; A264-L268 PolarHBondContact O-N 3.13Å; A264-L268 VanDerWaalsContact O-N 3.17Å
265S93.6Very high93.5Very high62 Ų6254.2 Ų54.243%0.43428%0.283SS..Hα-helixtrans-68.2-43.5178.8-58.20000112.6S263 L267 L268S263-S265 PolarHBondContact O-N 2.97Å; S265-L267 VanDerWaalsContact C-N 3.31Å; S265-L267 PolarHBondContact O-N 3.1Å; S265-L268 PolarHBondContact O-N 3.33Å
266E94.4Very high93.4Very high102 Ų10251.4 Ų51.448%0.47727%0.271SS..Hα-helixtrans-65.3-36.7174.9-70.7161.2147.200111.2P262 S263 L268 Q269 S270P262-E266 HydrophobicContact CB-CB 3.88Å; S263-E266 VanDerWaalsContact CB-OE2 3.29Å; S263-E266 WeakPolarHBondContact CB-OE2 3.39Å; S263-E266 PolarHBondContact N-OE2 3.09Å; S263-E266 PolarHBondContact O-N 3.34Å; S263-E266 WeakPolarHBondContact OG-CB 3.49Å; S263-E266 VanDerWaalsContact OG-CD 3.24Å; S263-E266 VanDerWaalsContact OG-CG 3.27Å; S263-E266 WeakPolarHBondContact OG-CG 3.32Å; S263-E266 PolarHBondContact OG-N 3.34Å; S263-E266 PolarHBondContact OG-OE2 3.44Å; E266-L268 PolarHBondContact O-N 3.07Å; E266-Q269 WeakPolarHBondContact O-CB 3.43Å; E266-Q269 PolarHBondContact O-N 3.11Å; E266-Q269 VanDerWaalsContact O-N 3.07Å; E266-S270 PolarHBondContact O-N 2.65Å
267L94.4Very high93.3Very high1 Ų149 Ų491%0.00526%0.261CS..Hα-helixtrans-65.5-37.2179.5-170.361.5000112I129 I201 V249 M253 P262 S263 A264 S265 Q269 S270 V273I129-L267 HydrophobicContact CD1-CD2 3.54Å; I129-L267 HydrophobicContact CD1-CG 3.85Å; I129-L267 HydrophobicContact CG1-CD2 3.96Å; I201-L267 HydrophobicContact CG2-CD2 4.41Å; V249-L267 HydrophobicContact CG1-CD1 4.27Å; M253-L267 HydrophobicContact CE-CD2 3.81Å; M253-L267 HydrophobicContact CG-CD1 4.25Å; M253-L267 HydrophobicContact CG-CD2 3.83Å; M253-L267 HydrophobicContact SD-CD2 3.81Å; P262-L267 HydrophobicContact CB-CB 4.32Å; P262-L267 HydrophobicContact CG-CB 4.2Å; P262-L267 HydrophobicContact CG-CD1 3.85Å; S263-L267 WeakPolarHBondContact O-CB 3.47Å; S263-L267 PolarHBondContact O-N 2.73Å; A264-L267 PolarHBondContact O-N 2.84Å; S265-L267 VanDerWaalsContact C-N 3.31Å; S265-L267 PolarHBondContact O-N 3.1Å; L267-Q269 PolarHBondContact O-N 2.69Å; L267-S270 WeakPolarHBondContact O-CB 3.45Å; L267-S270 PolarHBondContact O-N 3.42Å; L267-S270 VanDerWaalsContact O-N 3.16Å; L267-S270 PolarHBondContact O-OG 3.47Å; L267-V273 HydrophobicContact CD1-CG2 4.29Å; L267-V273 HydrophobicContact CG-CG2 4.28Å; L267-V273 VanDerWaalsContact O-CB 3.29Å; L267-V273 WeakPolarHBondContact O-CB 3.47Å
268L91.2Very high93.1Very high19 Ų1951.9 Ų51.910%0.09927%0.265CS..Hα-helixtrans-61.8-25.8172.1-72.9176.5000113.7I129 L130 V133 A264 S265 E266 V273I129-L268 HydrophobicContact CB-CD2 3.99Å; I129-L268 HydrophobicContact CB-CG 4.48Å; I129-L268 HydrophobicContact CG2-CD1 4.26Å; I129-L268 HydrophobicContact CG2-CD2 3.53Å; I129-L268 HydrophobicContact CG2-CG 3.49Å; I129-L268 VanDerWaalsContact CG2-CG 3.49Å; L130-L268 HydrophobicContact CD2-CD1 3.82Å; L130-L268 HydrophobicContact CD2-CD2 4.24Å; L130-L268 HydrophobicContact CG-CD2 4.36Å; V133-L268 HydrophobicContact CG2-CD1 3.68Å; V133-L268 HydrophobicContact CG2-CG 4.43Å; A264-L268 PolarHBondContact O-N 3.13Å; A264-L268 VanDerWaalsContact O-N 3.17Å; S265-L268 PolarHBondContact O-N 3.33Å; E266-L268 PolarHBondContact O-N 3.07Å; L268-V273 HydrophobicContact CD2-CG1 4.13Å
269Q89.6Confident93Very high146 Ų14654.4 Ų54.468%0.68228%0.278SS*.Hα-helixtrans-86-11.5179.2-64.9177.5-11.900112.6E266 L267E266-Q269 WeakPolarHBondContact O-CB 3.43Å; E266-Q269 PolarHBondContact O-N 3.11Å; E266-Q269 VanDerWaalsContact O-N 3.07Å; L267-Q269 PolarHBondContact O-N 2.69Å
270S91.6Very high92.8Very high26 Ų2647.6 Ų47.618%0.18225%0.246CC..SBendtrans-63.2139174.871.70000110.8E266 L267 T272 V273 H274E266-S270 PolarHBondContact O-N 2.65Å; L267-S270 WeakPolarHBondContact O-CB 3.45Å; L267-S270 PolarHBondContact O-N 3.42Å; L267-S270 VanDerWaalsContact O-N 3.16Å; L267-S270 PolarHBondContact O-OG 3.47Å; S270-T272 VanDerWaalsContact C-N 3.28Å; S270-T272 PolarHBondContact O-N 3.36Å; S270-T272 VanDerWaalsContact O-N 3.16Å; S270-V273 PolarHBondContact O-N 3.29Å; S270-V273 WeakPolarHBondContact OG-CB 3.32Å; S270-V273 WeakPolarHBondContact OG-CG2 3.35Å; S270-H274 WeakPolarHBondContact O-CB 3.49Å; S270-H274 PolarHBondContact O-N 2.93Å
271N91.1Very high92.4Very high147 Ų14744.3 Ų44.379%0.78623%0.229SC*.Hα-helixtrans-51.3-45.4-172.8-70-22.1000113.2S275N271-S275 PolarHBondContact O-N 2.96Å
272T92.1Very high91.9Very high27 Ų2749.6 Ų49.617%0.16625%0.252CS..Hα-helixtrans-65.5-51-179-46.10000111.9E245 V249 S270 H274 S275 Y276E245-T272 HydrophobicContact CB-CG2 3.73Å; V249-T272 HydrophobicContact CG2-CG2 3.99Å; S270-T272 VanDerWaalsContact C-N 3.28Å; S270-T272 PolarHBondContact O-N 3.36Å; S270-T272 VanDerWaalsContact O-N 3.16Å; T272-H274 VanDerWaalsContact C-N 3.31Å; T272-H274 PolarHBondContact O-N 3.25Å; T272-S275 WeakPolarHBondContact O-CB 3.49Å; T272-S275 PolarHBondContact O-N 3.5Å; T272-S275 VanDerWaalsContact O-N 3.17Å; T272-Y276 HydrophobicContact CG2-CD2 4.49Å; T272-Y276 HydrophobicContact CG2-CE2 3.77Å; T272-Y276 WeakPolarHBondContact O-CD2 3.35Å; T272-Y276 PolarHBondContact O-N 3.28Å
273V92.8Very high91.3Very high0 Ų051.4 Ų51.40%026%0.259CS..Hα-helixtrans-66.6-37.8-179.7178.60000110.6L125 V126 I129 V249 L267 L268 S270 S275 Y276 L277L125-V273 HydrophobicContact CD2-CG2 4.42Å; V126-V273 HydrophobicContact CG2-CG1 4.03Å; I129-V273 HydrophobicContact CD1-CG1 3.74Å; I129-V273 HydrophobicContact CD1-CG2 4.35Å; V249-V273 HydrophobicContact CG1-CG2 3.98Å; V249-V273 HydrophobicContact CG2-CG2 4.01Å; L267-V273 HydrophobicContact CD1-CG2 4.29Å; L267-V273 HydrophobicContact CG-CG2 4.28Å; L267-V273 VanDerWaalsContact O-CB 3.29Å; L267-V273 WeakPolarHBondContact O-CB 3.47Å; L268-V273 HydrophobicContact CD2-CG1 4.13Å; S270-V273 PolarHBondContact O-N 3.29Å; S270-V273 WeakPolarHBondContact OG-CB 3.32Å; S270-V273 WeakPolarHBondContact OG-CG2 3.35Å; V273-S275 VanDerWaalsContact C-N 3.28Å; V273-S275 PolarHBondContact O-N 3.06Å; V273-Y276 PolarHBondContact O-N 2.84Å; V273-L277 WeakPolarHBondContact O-CB 3.37Å; V273-L277 PolarHBondContact O-N 3.04Å
274H90.2Very high90.5Very high47 Ų4750.7 Ų50.722%0.21825%0.254CS..Hα-helixtrans-63-34.8175.1-167.585.9000112.1S270 T272 L277 R278 F309S270-H274 WeakPolarHBondContact O-CB 3.49Å; S270-H274 PolarHBondContact O-N 2.93Å; T272-H274 VanDerWaalsContact C-N 3.31Å; T272-H274 PolarHBondContact O-N 3.25Å; H274-L277 WeakPolarHBondContact O-CB 3.37Å; H274-L277 PolarHBondContact O-N 3.16Å; H274-R278 PolarHBondContact O-N 2.95Å; H274-F309 AromaticContact CE1-CE1 3.8Å; H274-F309 AromaticContact CE1-CZ 3.98Å; H274-F309 AromaticContact NE2-CE1 3.45Å; H274-F309 WeakPolarHBondContact NE2-CE1 3.35Å; H274-F309 AromaticContact NE2-CZ 3.78Å
275S93.3Very high89.7Confident56 Ų5651.6 Ų51.639%0.39226%0.258SS..Hα-helixtrans-63.2-46.7172.1-169.10000111.5N271 T272 V273 L277 R278 D279N271-S275 PolarHBondContact O-N 2.96Å; T272-S275 WeakPolarHBondContact O-CB 3.49Å; T272-S275 PolarHBondContact O-N 3.5Å; T272-S275 VanDerWaalsContact O-N 3.17Å; V273-S275 VanDerWaalsContact C-N 3.28Å; V273-S275 PolarHBondContact O-N 3.06Å; S275-L277 VanDerWaalsContact C-N 3.29Å; S275-L277 PolarHBondContact O-N 3.16Å; S275-R278 WeakPolarHBondContact O-CB 3.33Å; S275-R278 PolarHBondContact O-N 3.32Å; S275-D279 PolarHBondContact O-N 3.14Å
276Y94.1Very high89Confident24 Ų2454.2 Ų54.29%0.09426%0.262CS..Hα-helixtrans-62.7-36.8174.6-62.2-45.1000112.5E118 V126 L246 T272 V273 R278 D279 L280E118-Y276 HydrophobicContact CG-CE1 4.4Å; E118-Y276 VanDerWaalsContact CG-OH 3.28Å; E118-Y276 WeakPolarHBondContact CG-OH 3.48Å; E118-Y276 PolarHBondContact OE1-OH 2.8Å; V126-Y276 VanDerWaalsContact CG2-CB 3.46Å; L246-Y276 HydrophobicContact CD1-CE2 4.13Å; T272-Y276 HydrophobicContact CG2-CD2 4.49Å; T272-Y276 HydrophobicContact CG2-CE2 3.77Å; T272-Y276 WeakPolarHBondContact O-CD2 3.35Å; T272-Y276 PolarHBondContact O-N 3.28Å; V273-Y276 PolarHBondContact O-N 2.84Å; Y276-R278 VanDerWaalsContact C-N 3.33Å; Y276-D279 PolarHBondContact O-N 3.45Å; Y276-L280 PolarHBondContact O-N 3.01Å
277L91.4Very high88Confident3 Ų353.6 Ų53.62%0.01626%0.259CS..Hα-helixtrans-63-41.6175.7-178.269.2000111.2V126 L130 V273 H274 S275 D279 L280 Y281 F312 I313V126-L277 HydrophobicContact CG1-CB 4.15Å; V126-L277 HydrophobicContact CG1-CD1 3.46Å; V126-L277 VanDerWaalsContact CG1-CD1 3.46Å; V126-L277 HydrophobicContact CG1-CG 4.43Å; V126-L277 HydrophobicContact CG2-CB 4.35Å; L130-L277 HydrophobicContact CD1-CD1 4.06Å; L130-L277 HydrophobicContact CD2-CD1 4.32Å; L130-L277 HydrophobicContact CG-CD1 4.48Å; V273-L277 WeakPolarHBondContact O-CB 3.37Å; V273-L277 PolarHBondContact O-N 3.04Å; H274-L277 WeakPolarHBondContact O-CB 3.37Å; H274-L277 PolarHBondContact O-N 3.16Å; S275-L277 VanDerWaalsContact C-N 3.29Å; S275-L277 PolarHBondContact O-N 3.16Å; L277-D279 VanDerWaalsContact C-N 3.31Å; L277-D279 PolarHBondContact O-N 2.8Å; L277-L280 PolarHBondContact O-N 3.38Å; L277-Y281 WeakPolarHBondContact O-CB 3.45Å; L277-Y281 PolarHBondContact O-N 3.46Å; L277-F312 HydrophobicContact CD1-CD1 4.31Å; L277-F312 HydrophobicContact CD1-CE1 3.51Å; L277-F312 HydrophobicContact CD1-CZ 4.31Å; L277-F312 HydrophobicContact CG-CE1 4.05Å; L277-I313 HydrophobicContact CD2-CG1 4Å
278R90.1Very high86.9Confident116 Ų11654.4 Ų54.444%0.43826%0.263SS..Hα-helixtrans-62.2-39.2174-172.8-177.1-71.3161.2-2.2111.8H274 S275 Y276 Y281 K282 F309H274-R278 PolarHBondContact O-N 2.95Å; S275-R278 WeakPolarHBondContact O-CB 3.33Å; S275-R278 PolarHBondContact O-N 3.32Å; Y276-R278 VanDerWaalsContact C-N 3.33Å; R278-Y281 PolarHBondContact O-N 3.49Å; R278-K282 WeakPolarHBondContact O-CG 3.49Å; R278-K282 PolarHBondContact O-N 2.97Å; R278-F309 HydrophobicContact CB-CE2 4.08Å; R278-F309 HydrophobicContact CB-CZ 3.79Å; R278-F309 HydrophobicContact CG-CE2 4.35Å; R278-F309 HydrophobicContact CG-CZ 4.18Å
279D90.8Very high85.9Confident64 Ų6457.8 Ų57.834%0.34228%0.278SS..Hα-helixtrans-71.5-38.9178.2-70.7-20000112.5S275 Y276 L277 Y281 K282 E283S275-D279 PolarHBondContact O-N 3.14Å; Y276-D279 PolarHBondContact O-N 3.45Å; L277-D279 VanDerWaalsContact C-N 3.31Å; L277-D279 PolarHBondContact O-N 2.8Å; D279-Y281 VanDerWaalsContact C-N 3.35Å; D279-K282 PolarHBondContact O-N 3.38Å; D279-K282 IonicContact OD1-NZ 2.74Å; D279-K282 PolarHBondContact OD1-NZ 3.21Å; D279-E283 PolarHBondContact O-N 2.69Å
280L89.4Confident85.1Confident5 Ų553.9 Ų53.93%0.02626%0.262CS..Hα-helixtrans-59.9-45.8170.5176.662.2000111K123 V126 Q127 L130 Y276 L277 K282 E283 T284K123-L280 HydrophobicContact CG-CD1 4.21Å; V126-L280 HydrophobicContact CB-CD2 4.41Å; V126-L280 HydrophobicContact CG1-CD2 3.66Å; Q127-L280 HydrophobicContact CG-CD2 4.1Å; L130-L280 HydrophobicContact CD1-CD2 4.18Å; Y276-L280 PolarHBondContact O-N 3.01Å; L277-L280 PolarHBondContact O-N 3.38Å; L280-K282 PolarHBondContact O-N 3.26Å; L280-E283 WeakPolarHBondContact O-CB 3.26Å; L280-E283 PolarHBondContact O-N 3.41Å; L280-T284 WeakPolarHBondContact O-CB 3.34Å; L280-T284 PolarHBondContact O-N 2.86Å; L280-T284 PolarHBondContact O-OG1 3.16Å
281Y86.2Confident83.7Confident39 Ų3955.3 Ų55.315%0.15327%0.266CS..Hα-helixtrans-59.5-43.9177172-98.5000112.2L277 R278 D279 E283 T284 I285 I307 F309 F312L277-Y281 WeakPolarHBondContact O-CB 3.45Å; L277-Y281 PolarHBondContact O-N 3.46Å; R278-Y281 PolarHBondContact O-N 3.49Å; D279-Y281 VanDerWaalsContact C-N 3.35Å; Y281-E283 PolarHBondContact O-N 3.01Å; Y281-T284 WeakPolarHBondContact O-CB 3.34Å; Y281-T284 PolarHBondContact O-N 3.46Å; Y281-I285 HydrophobicContact CD1-CG1 4.22Å; Y281-I285 HydrophobicContact CD2-CG1 4.13Å; Y281-I285 HydrophobicContact CE1-CG1 3.81Å; Y281-I285 HydrophobicContact CE2-CD1 3.87Å; Y281-I285 HydrophobicContact CE2-CG1 3.72Å; Y281-I285 HydrophobicContact CG-CG1 4.37Å; Y281-I285 WeakPolarHBondContact O-CB 3.46Å; Y281-I285 VanDerWaalsContact O-CG1 3.29Å; Y281-I285 WeakPolarHBondContact O-CG1 3.35Å; Y281-I285 PolarHBondContact O-N 3.36Å; Y281-I307 PolarHBondContact OH-O 2.94Å; Y281-F309 HydrophobicContact CD1-CB 4.39Å; Y281-F309 AromaticContact CD1-CD2 3.56Å; Y281-F309 HydrophobicContact CD1-CD2 3.56Å; Y281-F309 HydrophobicContact CD1-CE2 4.29Å; Y281-F309 HydrophobicContact CD1-CG 4.35Å; Y281-F309 AromaticContact CD2-CD2 3.98Å; Y281-F309 HydrophobicContact CD2-CD2 3.98Å; Y281-F309 HydrophobicContact CE1-CB 4Å; Y281-F309 HydrophobicContact CE1-CD2 4.05Å; Y281-F309 HydrophobicContact CE1-CG 4.45Å; Y281-F309 HydrophobicContact CE2-CD2 4.42Å; Y281-F309 AromaticContact CG-CD2 3.52Å; Y281-F309 HydrophobicContact CG-CD2 3.52Å; Y281-F309 HydrophobicContact CG-CE2 4.08Å; Y281-F309 PolarHBondContact OH-N 3.42Å; Y281-F312 HydrophobicContact CD2-CB 3.74Å; Y281-F312 AromaticContact CD2-CD1 3.72Å; Y281-F312 HydrophobicContact CD2-CD1 3.72Å; Y281-F312 AromaticContact CD2-CD2 3.99Å; Y281-F312 HydrophobicContact CD2-CD2 3.99Å; Y281-F312 HydrophobicContact CD2-CE1 4.26Å; Y281-F312 HydrophobicContact CD2-CE2 4.48Å; Y281-F312 AromaticContact CD2-CG 3.55Å; Y281-F312 HydrophobicContact CD2-CG 3.55Å; Y281-F312 HydrophobicContact CE2-CB 3.88Å; Y281-F312 HydrophobicContact CE2-CG 4.18Å; Y281-F312 HydrophobicContact CG-CD1 4.23Å; Y281-F312 HydrophobicContact CG-CG 4.48Å
282K85.9Confident82.1Confident113 Ų11350.4 Ų50.449%0.49124%0.24SC..Hα-helixtrans-61-43.7175.5-71.7168.7-170158.40112R278 D279 L280 I285 F286R278-K282 WeakPolarHBondContact O-CG 3.49Å; R278-K282 PolarHBondContact O-N 2.97Å; D279-K282 PolarHBondContact O-N 3.38Å; D279-K282 IonicContact OD1-NZ 2.74Å; D279-K282 PolarHBondContact OD1-NZ 3.21Å; L280-K282 PolarHBondContact O-N 3.26Å; K282-I285 PolarHBondContact O-N 2.95Å; K282-F286 VanDerWaalsContact O-CB 3.25Å; K282-F286 WeakPolarHBondContact O-CB 3.33Å; K282-F286 PolarHBondContact O-N 2.92Å
283E83.9Confident80.5Confident59 Ų5952.6 Ų52.628%0.27626%0.256SS..Hα-helixtrans-60.5-47.6176.5-173.4-179.6173.200110.3K123 D279 L280 Y281 F286 H287K123-E283 IonicContact NZ-OE1 2.64Å; K123-E283 PolarHBondContact NZ-OE1 2.81Å; K123-E283 IonicContact NZ-OE2 2.78Å; K123-E283 PolarHBondContact NZ-OE2 2.8Å; D279-E283 PolarHBondContact O-N 2.69Å; L280-E283 WeakPolarHBondContact O-CB 3.26Å; L280-E283 PolarHBondContact O-N 3.41Å; Y281-E283 PolarHBondContact O-N 3.01Å; E283-F286 PolarHBondContact O-N 3.06Å; E283-H287 PolarHBondContact O-CD2 3.41Å; E283-H287 PolarHBondContact O-N 3.09Å
284T79.3Confident78.8Confident8 Ų859.2 Ų59.25%0.04929%0.291CS..Hα-helixtrans-56.6-50175.6-86.90000112.6L280 Y281 F286 H287 M288 Q323L280-T284 WeakPolarHBondContact O-CB 3.34Å; L280-T284 PolarHBondContact O-N 2.86Å; L280-T284 PolarHBondContact O-OG1 3.16Å; Y281-T284 WeakPolarHBondContact O-CB 3.34Å; Y281-T284 PolarHBondContact O-N 3.46Å; T284-F286 VanDerWaalsContact C-N 3.35Å; T284-F286 PolarHBondContact O-N 3.04Å; T284-H287 PolarHBondContact O-N 3.1Å; T284-M288 HydrophobicContact CG2-CE 3.37Å; T284-M288 WeakPolarHBondContact O-CG 3.46Å; T284-M288 PolarHBondContact O-N 3.04Å; T284-Q323 HydrophobicContact CG2-CG 4.38Å; T284-Q323 PolarHBondContact O-NE2 3.46Å; T284-Q323 PolarHBondContact OG1-OE1 2.81Å
285I78Confident77Confident19 Ų1962.9 Ų62.910%0.09731%0.308CS..Hα-helixtrans-64.5-40.7178.6-68.1-73.5000111.1Y281 K282 H287 M288 Q289 L306Y281-I285 HydrophobicContact CD1-CG1 4.22Å; Y281-I285 HydrophobicContact CD2-CG1 4.13Å; Y281-I285 HydrophobicContact CE1-CG1 3.81Å; Y281-I285 HydrophobicContact CE2-CD1 3.87Å; Y281-I285 HydrophobicContact CE2-CG1 3.72Å; Y281-I285 HydrophobicContact CG-CG1 4.37Å; Y281-I285 WeakPolarHBondContact O-CB 3.46Å; Y281-I285 VanDerWaalsContact O-CG1 3.29Å; Y281-I285 WeakPolarHBondContact O-CG1 3.35Å; Y281-I285 PolarHBondContact O-N 3.36Å; K282-I285 PolarHBondContact O-N 2.95Å; I285-H287 PolarHBondContact O-N 2.85Å; I285-M288 HydrophobicContact CD1-CE 3.7Å; I285-M288 HydrophobicContact CG1-CE 4.38Å; I285-M288 PolarHBondContact O-N 2.7Å; I285-Q289 HydrophobicContact CG2-CG 4.31Å; I285-Q289 WeakPolarHBondContact O-CB 3.09Å; I285-Q289 VanDerWaalsContact O-CG 3.28Å; I285-Q289 WeakPolarHBondContact O-CG 3.38Å; I285-Q289 PolarHBondContact O-N 2.78Å; I285-L306 HydrophobicContact CD1-CD2 3.94Å; I285-L306 HydrophobicContact CG2-CD2 4.17Å
286F78.6Confident74.8Confident118 Ų11862.7 Ų62.752%0.51831%0.307SS..Hα-helixtrans-62.2-42.1177.5-178-102.2000111.9K282 E283 T284 Q289 N290K282-F286 VanDerWaalsContact O-CB 3.25Å; K282-F286 WeakPolarHBondContact O-CB 3.33Å; K282-F286 PolarHBondContact O-N 2.92Å; E283-F286 PolarHBondContact O-N 3.06Å; T284-F286 VanDerWaalsContact C-N 3.35Å; T284-F286 PolarHBondContact O-N 3.04Å; F286-Q289 PolarHBondContact O-N 2.88Å; F286-N290 WeakPolarHBondContact CD1-ND2 3.3Å; F286-N290 WeakPolarHBondContact CE1-ND2 3.44Å; F286-N290 WeakPolarHBondContact CZ-ND2 3.44Å; F286-N290 VanDerWaalsContact O-CG 3.27Å; F286-N290 PolarHBondContact O-N 3.06Å; F286-N290 VanDerWaalsContact O-N 3.07Å; F286-N290 PolarHBondContact O-ND2 2.75Å
287H74.7Confident72.6Confident89 Ų8973.1 Ų73.141%0.41235%0.346SS..Hα-helixtrans-63.4-47.6174.2-78.4-67.7000112.1E283 T284 I285 Q289 N290 E291E283-H287 PolarHBondContact O-CD2 3.41Å; E283-H287 PolarHBondContact O-N 3.09Å; T284-H287 PolarHBondContact O-N 3.1Å; I285-H287 PolarHBondContact O-N 2.85Å; H287-Q289 VanDerWaalsContact C-N 3.29Å; H287-Q289 PolarHBondContact O-N 2.86Å; H287-N290 PolarHBondContact O-N 3.05Å; H287-N290 VanDerWaalsContact O-N 3.16Å; H287-E291 WeakPolarHBondContact O-CG 3.38Å; H287-E291 PolarHBondContact O-N 3.28Å
288M70.2Confident70.5Confident17 Ų1781.7 Ų81.78%0.08438%0.383CS..Hα-helixtrans-59.4-38.8176.6-73.4-168.9-87.700112.4T284 I285 L292 Q323T284-M288 HydrophobicContact CG2-CE 3.37Å; T284-M288 WeakPolarHBondContact O-CG 3.46Å; T284-M288 PolarHBondContact O-N 3.04Å; I285-M288 HydrophobicContact CD1-CE 3.7Å; I285-M288 HydrophobicContact CG1-CE 4.38Å; I285-M288 PolarHBondContact O-N 2.7Å; M288-L292 VanDerWaalsContact O-CB 3.29Å; M288-L292 WeakPolarHBondContact O-CB 3.42Å; M288-L292 WeakPolarHBondContact O-CD1 3.34Å; M288-L292 WeakPolarHBondContact O-CG 3.28Å; M288-L292 PolarHBondContact O-N 3.23Å; M288-Q323 HydrophobicContact CE-CG 4.08Å; M288-Q323 HydrophobicContact CG-CG 3.91Å; M288-Q323 HydrophobicContact SD-CG 3.73Å
289Q71.6Confident68.4Low90 Ų9081.3 Ų81.342%0.42139%0.39SS..Hα-helixtrans-66.9-38.8177.4-76.2176-16.500112.4I285 F286 H287 S293 L306I285-Q289 HydrophobicContact CG2-CG 4.31Å; I285-Q289 WeakPolarHBondContact O-CB 3.09Å; I285-Q289 VanDerWaalsContact O-CG 3.28Å; I285-Q289 WeakPolarHBondContact O-CG 3.38Å; I285-Q289 PolarHBondContact O-N 2.78Å; F286-Q289 PolarHBondContact O-N 2.88Å; H287-Q289 VanDerWaalsContact C-N 3.29Å; H287-Q289 PolarHBondContact O-N 2.86Å; Q289-S293 WeakPolarHBondContact O-CB 2.89Å; Q289-S293 PolarHBondContact O-N 3.31Å; Q289-L306 HydrophobicContact CG-CD2 4.3Å
290N71.3Confident66.2Low64 Ų6487.1 Ų87.134%0.34242%0.415SS..Hα-helixtrans-68.9-44177.3-68.4-27000111.4F286 H287 S293 D294F286-N290 WeakPolarHBondContact CD1-ND2 3.3Å; F286-N290 WeakPolarHBondContact CE1-ND2 3.44Å; F286-N290 WeakPolarHBondContact CZ-ND2 3.44Å; F286-N290 VanDerWaalsContact O-CG 3.27Å; F286-N290 PolarHBondContact O-N 3.06Å; F286-N290 VanDerWaalsContact O-N 3.07Å; F286-N290 PolarHBondContact O-ND2 2.75Å; H287-N290 PolarHBondContact O-N 3.05Å; H287-N290 VanDerWaalsContact O-N 3.16Å; N290-S293 WeakPolarHBondContact CA-OG 3.29Å; N290-S293 PolarHBondContact O-N 3.21Å; N290-S293 VanDerWaalsContact O-N 3.1Å; N290-S293 PolarHBondContact O-OG 3.35Å; N290-D294 PolarHBondContact O-N 2.88Å
291E62.6Low64.1Low56 Ų5694 Ų9426%0.26245%0.452SS..Hα-helixtrans-61.6-45.2175.6-72.4172.3-178.600111.5H287 S293 D294 E295 I326H287-E291 WeakPolarHBondContact O-CG 3.38Å; H287-E291 PolarHBondContact O-N 3.28Å; E291-S293 VanDerWaalsContact C-N 3.27Å; E291-S293 PolarHBondContact O-N 3.16Å; E291-D294 PolarHBondContact O-N 2.89Å; E291-D294 VanDerWaalsContact O-N 3.13Å; E291-E295 PolarHBondContact O-N 3.31Å; E291-E295 VanDerWaalsContact O-N 3.08Å; E291-I326 WeakPolarHBondContact OE2-CG2 3.41Å
292L58.2Low62.2Low45 Ų4596.2 Ų96.224%0.23646%0.464CS..Hα-helixtrans-60.3-38.3173.6-75.3167000111.1M288 D294 E295 S296 E302M288-L292 VanDerWaalsContact O-CB 3.29Å; M288-L292 WeakPolarHBondContact O-CB 3.42Å; M288-L292 WeakPolarHBondContact O-CD1 3.34Å; M288-L292 WeakPolarHBondContact O-CG 3.28Å; M288-L292 PolarHBondContact O-N 3.23Å; L292-D294 PolarHBondContact O-N 2.93Å; L292-E295 PolarHBondContact O-N 3.34Å; L292-S296 WeakPolarHBondContact O-CA 3.31Å; L292-S296 WeakPolarHBondContact O-CB 3.28Å; L292-S296 PolarHBondContact O-N 2.95Å; L292-S296 PolarHBondContact O-OG 3.47Å; L292-E302 HydrophobicContact CD2-CB 4.17Å
293S58.2Low60.1Low72 Ų7294.2 Ų94.250%0.50346%0.464SS..Hα-helixtrans-66.5-24.7178.772.10000113.9Q289 N290 E291Q289-S293 WeakPolarHBondContact O-CB 2.89Å; Q289-S293 PolarHBondContact O-N 3.31Å; N290-S293 WeakPolarHBondContact CA-OG 3.29Å; N290-S293 PolarHBondContact O-N 3.21Å; N290-S293 VanDerWaalsContact O-N 3.1Å; N290-S293 PolarHBondContact O-OG 3.35Å; E291-S293 VanDerWaalsContact C-N 3.27Å; E291-S293 PolarHBondContact O-N 3.16Å
294D56.8Low58.2Low140 Ų14098.7 Ų98.775%0.74949%0.49SS*.Hα-helixtrans-84.7-31.9175.8-73.9-30.7000112.4N290 E291 L292N290-D294 PolarHBondContact O-N 2.88Å; E291-D294 PolarHBondContact O-N 2.89Å; E291-D294 VanDerWaalsContact O-N 3.13Å; L292-D294 PolarHBondContact O-N 2.93Å
295E51.9Low56.9Low123 Ų123107 Ų10758%0.57552%0.52SS*.Hα-helixtrans-90-26177.7-68.5-165.2140.100114.8E291 L292 R297 K298E291-E295 PolarHBondContact O-N 3.31Å; E291-E295 VanDerWaalsContact O-N 3.08Å; L292-E295 PolarHBondContact O-N 3.34Å; E295-R297 PolarHBondContact O-N 2.78Å; E295-K298 PolarHBondContact O-N 2.87Å
296S48.4Very low55.9Low52 Ų52109.9 Ų109.936%0.36454%0.535SS..THydrogen-bonded Turntrans-76.416.6-17156.40000115.9L292 K298L292-S296 WeakPolarHBondContact O-CA 3.31Å; L292-S296 WeakPolarHBondContact O-CB 3.28Å; L292-S296 PolarHBondContact O-N 2.95Å; L292-S296 PolarHBondContact O-OG 3.47Å; S296-K298 PolarHBondContact O-N 3.49Å
297R47.1Very low55.1Low243 Ų243104.8 Ų104.892%0.91751%0.513SS*.THydrogen-bonded Turntrans-68.1-3.3156.6-81.6-173177.5179.41.8113.4E295E295-R297 PolarHBondContact O-N 2.78Å
298K48.6Very low54.5Low183 Ų183103 Ų10380%0.79651%0.511SS*.SBendtrans-126.9-11.5-174.8-76.2-177.5178.2174.30118.2E295 S296E295-K298 PolarHBondContact O-N 2.87Å; S296-K298 PolarHBondContact O-N 3.49Å
299N44.2Very low54.3Low108 Ų108103.5 Ų103.558%0.57851%0.513SS*.  trans-155.3115.6176.8-82-39.8000112.5N301N299-N301 VanDerWaalsContact C-N 3.25Å; N299-N301 PolarHBondContact O-N 2.88Å
300E44.3Very low53.8Low187 Ų187105.1 Ų105.187%0.87452%0.52SS*.THydrogen-bonded Turntrans-76-1.1-179.9-72.3-179.6152.900114.5
301N47Very low53.5Low148 Ų148106.6 Ų106.679%0.79153%0.525SS*.THydrogen-bonded Turntrans-96-6.3-173.5-81.2-19.3000115.5N299N299-N301 VanDerWaalsContact C-N 3.25Å; N299-N301 PolarHBondContact O-N 2.88Å
302E45.9Very low53.7Low87 Ų87104 Ų10441%0.40751%0.513SS..SBendtrans-93-16.3-174.7-74-172.9145.300114.8L292 N304 R305L292-E302 HydrophobicContact CD2-CB 4.17Å; E302-N304 PolarHBondContact O-N 3.49Å; E302-R305 PolarHBondContact O-N 3.45Å
303S41.2Very low53.9Low70 Ų70104.8 Ų104.849%0.4952%0.517SS..THydrogen-bonded Turntrans-63.9-11179.2-540000114.6
304N43.3Very low53.9Low154 Ų154106 Ų10682%0.82453%0.525SS*.THydrogen-bonded Turntrans-92.910.1-180-76.9-20.1000114.9E302E302-N304 PolarHBondContact O-N 3.49Å
305R52.5Low54.2Low183 Ų183101.3 Ų101.369%0.69150%0.504SS*.  trans-100.521.3179.7-82.6-176.5173.9173.60.1115E302 I307E302-R305 PolarHBondContact O-N 3.45Å; R305-I307 PolarHBondContact O-N 2.83Å
306L56.5Low54.5Low78 Ų7896.1 Ų96.141%0.40848%0.48SS..  trans-68.2107.5171.5-67174.9000109.3I285 Q289I285-L306 HydrophobicContact CD1-CD2 3.94Å; I285-L306 HydrophobicContact CG2-CD2 4.17Å; Q289-L306 HydrophobicContact CG-CD2 4.3Å
307I62.2Low55Low11 Ų1194.6 Ų94.66%0.05647%0.468CS..  trans-64.7136.6178-70.1152000108.7Y281 R305 E311 V319 K322Y281-I307 PolarHBondContact OH-O 2.94Å; R305-I307 PolarHBondContact O-N 2.83Å; I307-E311 HydrophobicContact CG2-CB 3.73Å; I307-E311 HydrophobicContact CG2-CG 3.82Å; I307-V319 HydrophobicContact CB-CG1 4.05Å; I307-V319 HydrophobicContact CB-CG2 4.34Å; I307-V319 HydrophobicContact CD1-CB 3.91Å; I307-V319 HydrophobicContact CD1-CG1 3.43Å; I307-V319 VanDerWaalsContact CD1-CG1 3.43Å; I307-V319 HydrophobicContact CD1-CG2 3.92Å; I307-V319 HydrophobicContact CG1-CG1 4.27Å; I307-V319 HydrophobicContact CG1-CG2 4.36Å; I307-V319 HydrophobicContact CG2-CB 4.17Å; I307-V319 HydrophobicContact CG2-CG1 3.8Å; I307-V319 HydrophobicContact CG2-CG2 3.4Å; I307-K322 HydrophobicContact CD1-CD 3.98Å
308S62.7Low55.6Low53 Ų5385.8 Ų85.837%0.37144%0.444SS..  trans-68156.5178.4670000112.1E310 E311 F312S308-E310 PolarHBondContact O-N 3.39Å; S308-E311 PolarHBondContact O-N 3.33Å; S308-E311 VanDerWaalsContact O-N 3.12Å; S308-E311 WeakPolarHBondContact OG-CB 3.42Å; S308-E311 PolarHBondContact OG-N 3.49Å; S308-E311 VanDerWaalsContact OG-N 3.12Å; S308-F312 PolarHBondContact O-N 3.32Å
309F65.9Low56Low26 Ų2677.1 Ų77.111%0.11441%0.406CS..Hα-helixtrans-61.5-37.1176.6-176.2-118.5000111.4H274 R278 Y281 E311 F312 I313H274-F309 AromaticContact CE1-CE1 3.8Å; H274-F309 AromaticContact CE1-CZ 3.98Å; H274-F309 AromaticContact NE2-CE1 3.45Å; H274-F309 WeakPolarHBondContact NE2-CE1 3.35Å; H274-F309 AromaticContact NE2-CZ 3.78Å; R278-F309 HydrophobicContact CB-CE2 4.08Å; R278-F309 HydrophobicContact CB-CZ 3.79Å; R278-F309 HydrophobicContact CG-CE2 4.35Å; R278-F309 HydrophobicContact CG-CZ 4.18Å; Y281-F309 HydrophobicContact CD1-CB 4.39Å; Y281-F309 AromaticContact CD1-CD2 3.56Å; Y281-F309 HydrophobicContact CD1-CD2 3.56Å; Y281-F309 HydrophobicContact CD1-CE2 4.29Å; Y281-F309 HydrophobicContact CD1-CG 4.35Å; Y281-F309 AromaticContact CD2-CD2 3.98Å; Y281-F309 HydrophobicContact CD2-CD2 3.98Å; Y281-F309 HydrophobicContact CE1-CB 4Å; Y281-F309 HydrophobicContact CE1-CD2 4.05Å; Y281-F309 HydrophobicContact CE1-CG 4.45Å; Y281-F309 HydrophobicContact CE2-CD2 4.42Å; Y281-F309 AromaticContact CG-CD2 3.52Å; Y281-F309 HydrophobicContact CG-CD2 3.52Å; Y281-F309 HydrophobicContact CG-CE2 4.08Å; Y281-F309 PolarHBondContact OH-N 3.42Å; F309-E311 VanDerWaalsContact C-N 3.34Å; F309-E311 PolarHBondContact O-N 2.93Å; F309-F312 HydrophobicContact CD2-CD1 4.38Å; F309-F312 HydrophobicContact CE2-CD1 4.39Å; F309-F312 WeakPolarHBondContact O-CB 3.24Å; F309-F312 PolarHBondContact O-N 3.24Å; F309-I313 HydrophobicContact CD1-CD1 3.6Å; F309-I313 HydrophobicContact CE1-CD1 3.38Å; F309-I313 HydrophobicContact CE1-CG1 4.29Å; F309-I313 HydrophobicContact CE2-CD1 4.33Å; F309-I313 HydrophobicContact CE2-CG1 4.41Å; F309-I313 HydrophobicContact CG-CD1 4.2Å; F309-I313 HydrophobicContact CZ-CD1 3.78Å; F309-I313 HydrophobicContact CZ-CG1 4.22Å; F309-I313 WeakPolarHBondContact O-CD1 3.47Å; F309-I313 VanDerWaalsContact O-CG1 3.28Å; F309-I313 WeakPolarHBondContact O-CG1 3.47Å; F309-I313 PolarHBondContact O-N 3.38Å
310E60.4Low56.8Low125 Ų12572.1 Ų72.158%0.58438%0.38SS*.Hα-helixtrans-62.9-38.7174.3-74.166.4-149.800112.2S308 I313 S314S308-E310 PolarHBondContact O-N 3.39Å; E310-I313 PolarHBondContact O-N 2.98Å; E310-S314 VanDerWaalsContact O-CB 3.28Å; E310-S314 WeakPolarHBondContact O-CB 3.28Å; E310-S314 PolarHBondContact O-N 2.91Å; E310-S314 PolarHBondContact O-OG 2.91Å
311E64.6Low57.6Low95 Ų9566 Ų6644%0.44435%0.351SS..Hα-helixtrans-71.6-36.7175.9-169.2177-169.100111.4I307 S308 F309 I313 S314 S315I307-E311 HydrophobicContact CG2-CB 3.73Å; I307-E311 HydrophobicContact CG2-CG 3.82Å; S308-E311 PolarHBondContact O-N 3.33Å; S308-E311 VanDerWaalsContact O-N 3.12Å; S308-E311 WeakPolarHBondContact OG-CB 3.42Å; S308-E311 PolarHBondContact OG-N 3.49Å; S308-E311 VanDerWaalsContact OG-N 3.12Å; F309-E311 VanDerWaalsContact C-N 3.34Å; F309-E311 PolarHBondContact O-N 2.93Å; E311-I313 VanDerWaalsContact C-N 3.34Å; E311-I313 PolarHBondContact O-N 3Å; E311-S314 PolarHBondContact O-N 3.02Å; E311-S315 PolarHBondContact O-N 2.92Å
312F67.2Low58Low0 Ų063.7 Ų63.70%033%0.334CS..Hα-helixtrans-61.4-38169.4-178-104.7000112.8L277 Y281 S308 F309 P316 V319 L320L277-F312 HydrophobicContact CD1-CD1 4.31Å; L277-F312 HydrophobicContact CD1-CE1 3.51Å; L277-F312 HydrophobicContact CD1-CZ 4.31Å; L277-F312 HydrophobicContact CG-CE1 4.05Å; Y281-F312 HydrophobicContact CD2-CB 3.74Å; Y281-F312 AromaticContact CD2-CD1 3.72Å; Y281-F312 HydrophobicContact CD2-CD1 3.72Å; Y281-F312 AromaticContact CD2-CD2 3.99Å; Y281-F312 HydrophobicContact CD2-CD2 3.99Å; Y281-F312 HydrophobicContact CD2-CE1 4.26Å; Y281-F312 HydrophobicContact CD2-CE2 4.48Å; Y281-F312 AromaticContact CD2-CG 3.55Å; Y281-F312 HydrophobicContact CD2-CG 3.55Å; Y281-F312 HydrophobicContact CE2-CB 3.88Å; Y281-F312 HydrophobicContact CE2-CG 4.18Å; Y281-F312 HydrophobicContact CG-CD1 4.23Å; Y281-F312 HydrophobicContact CG-CG 4.48Å; S308-F312 PolarHBondContact O-N 3.32Å; F309-F312 HydrophobicContact CD2-CD1 4.38Å; F309-F312 HydrophobicContact CE2-CD1 4.39Å; F309-F312 WeakPolarHBondContact O-CB 3.24Å; F309-F312 PolarHBondContact O-N 3.24Å; F312-P316 WeakPolarHBondContact O-CA 3.38Å; F312-P316 VanDerWaalsContact O-CB 3.3Å; F312-P316 WeakPolarHBondContact O-CB 3.47Å; F312-P316 WeakPolarHBondContact O-CD 3.49Å; F312-P316 WeakPolarHBondContact O-CG 3.47Å; F312-P316 VanDerWaalsContact O-N 3.1Å; F312-V319 HydrophobicContact CD2-CB 3.95Å; F312-V319 HydrophobicContact CD2-CG1 3.56Å; F312-V319 HydrophobicContact CE2-CG1 4.25Å; F312-L320 HydrophobicContact CE2-CD1 4.09Å; F312-L320 HydrophobicContact CE2-CD2 3.62Å; F312-L320 HydrophobicContact CE2-CG 3.67Å; F312-L320 HydrophobicContact CZ-CD1 4.36Å; F312-L320 HydrophobicContact CZ-CD2 4.13Å; F312-L320 HydrophobicContact CZ-CG 4.35Å
313I63.2Low58.3Low62 Ų6260.5 Ų60.532%0.31832%0.319SS..Hα-helixtrans-72.7-41.4175.5-67.6159.3000111.3L277 F309 E310 E311 P316L277-I313 HydrophobicContact CD2-CG1 4Å; F309-I313 HydrophobicContact CD1-CD1 3.6Å; F309-I313 HydrophobicContact CE1-CD1 3.38Å; F309-I313 HydrophobicContact CE1-CG1 4.29Å; F309-I313 HydrophobicContact CE2-CD1 4.33Å; F309-I313 HydrophobicContact CE2-CG1 4.41Å; F309-I313 HydrophobicContact CG-CD1 4.2Å; F309-I313 HydrophobicContact CZ-CD1 3.78Å; F309-I313 HydrophobicContact CZ-CG1 4.22Å; F309-I313 WeakPolarHBondContact O-CD1 3.47Å; F309-I313 VanDerWaalsContact O-CG1 3.28Å; F309-I313 WeakPolarHBondContact O-CG1 3.47Å; F309-I313 PolarHBondContact O-N 3.38Å; E310-I313 PolarHBondContact O-N 2.98Å; E311-I313 VanDerWaalsContact C-N 3.34Å; E311-I313 PolarHBondContact O-N 3Å; I313-P316 WeakPolarHBondContact O-CD 3.28Å
314S58.9Low58.7Low98 Ų9858.9 Ų58.969%0.68530%0.303SS*.Hα-helixtrans-74.6-32.2-173-58.40000112.7E310 E311E310-S314 VanDerWaalsContact O-CB 3.28Å; E310-S314 WeakPolarHBondContact O-CB 3.28Å; E310-S314 PolarHBondContact O-N 2.91Å; E310-S314 PolarHBondContact O-OG 2.91Å; E311-S314 PolarHBondContact O-N 3.02Å
315S61.1Low59Low42 Ų4254.6 Ų54.629%0.29429%0.286SS..  trans-144.465.4178-169.60000110.9E311 D317 S318 V319E311-S315 PolarHBondContact O-N 2.92Å; S315-D317 PolarHBondContact O-N 3.31Å; S315-D317 VanDerWaalsContact O-N 3.13Å; S315-S318 VanDerWaalsContact CB-OG 3.3Å; S315-S318 WeakPolarHBondContact CB-OG 3.47Å; S315-S318 PolarHBondContact O-N 2.88Å; S315-S318 VanDerWaalsContact O-N 3.08Å; S315-S318 PolarHBondContact O-OG 3.47Å; S315-S318 VanDerWaalsContact OG-CB 3.26Å; S315-S318 WeakPolarHBondContact OG-CB 3.49Å; S315-S318 PolarHBondContact OG-OG 3.28Å; S315-V319 WeakPolarHBondContact O-CG2 3.49Å; S315-V319 PolarHBondContact O-N 3.28Å
316P58.4Low58.6Low13 Ų1349 Ų498%0.08427%0.269CS..Hα-helixtrans-54.6-38.9-177.1-14.924.3000111.4L130 F312 I313 S318 V319 L320L130-P316 HydrophobicContact CD2-CB 3.53Å; L130-P316 HydrophobicContact CD2-CG 3.59Å; F312-P316 WeakPolarHBondContact O-CA 3.38Å; F312-P316 VanDerWaalsContact O-CB 3.3Å; F312-P316 WeakPolarHBondContact O-CB 3.47Å; F312-P316 WeakPolarHBondContact O-CD 3.49Å; F312-P316 WeakPolarHBondContact O-CG 3.47Å; F312-P316 VanDerWaalsContact O-N 3.1Å; I313-P316 WeakPolarHBondContact O-CD 3.28Å; P316-S318 PolarHBondContact O-N 3.28Å; P316-V319 PolarHBondContact O-N 2.76Å; P316-L320 HydrophobicContact CB-CD1 4.28Å; P316-L320 WeakPolarHBondContact O-CB 3.43Å; P316-L320 WeakPolarHBondContact O-CD1 3.4Å; P316-L320 VanDerWaalsContact O-CG 3.26Å; P316-L320 WeakPolarHBondContact O-CG 3.27Å; P316-L320 PolarHBondContact O-N 2.64Å
317D60.7Low58Low21 Ų2149 Ų4911%0.11227%0.267CS..Hα-helixtrans-57.6-49-179.9-47.9-32.4000111.3H74 Y134 S315 V319 H321H74-D317 IonicContact CD2-OD1 2.72Å; H74-D317 PolarHBondContact CD2-OD1 3.31Å; H74-D317 IonicContact NE2-OD1 3.84Å; H74-D317 PolarHBondContact NE2-OD1 3.2Å; Y134-D317 HydrophobicContact CD2-CB 4.4Å; Y134-D317 WeakPolarHBondContact CD2-OD2 3.13Å; S315-D317 PolarHBondContact O-N 3.31Å; S315-D317 VanDerWaalsContact O-N 3.13Å; D317-V319 VanDerWaalsContact C-N 3.25Å; D317-V319 PolarHBondContact O-N 3.4Å; D317-H321 VanDerWaalsContact O-CB 3.24Å; D317-H321 WeakPolarHBondContact O-CB 3.17Å; D317-H321 PolarHBondContact O-CD2 3.02Å; D317-H321 PolarHBondContact O-N 3.07Å
318S58.6Low57.1Low57 Ų5751.6 Ų51.640%0.39928%0.281SS..Hα-helixtrans-65.3-30.5-176.770.40000113.3S315 P316S315-S318 VanDerWaalsContact CB-OG 3.3Å; S315-S318 WeakPolarHBondContact CB-OG 3.47Å; S315-S318 PolarHBondContact O-N 2.88Å; S315-S318 VanDerWaalsContact O-N 3.08Å; S315-S318 PolarHBondContact O-OG 3.47Å; S315-S318 VanDerWaalsContact OG-CB 3.26Å; S315-S318 WeakPolarHBondContact OG-CB 3.49Å; S315-S318 PolarHBondContact OG-OG 3.28Å; P316-S318 PolarHBondContact O-N 3.28Å
319V57.6Low55.8Low2 Ų251.5 Ų51.51%0.01228%0.283CS..Hα-helixtrans-82.9-47.5-175.3174.40000110.4I307 F312 S315 P316 D317 H321 K322I307-V319 HydrophobicContact CB-CG1 4.05Å; I307-V319 HydrophobicContact CB-CG2 4.34Å; I307-V319 HydrophobicContact CD1-CB 3.91Å; I307-V319 HydrophobicContact CD1-CG1 3.43Å; I307-V319 VanDerWaalsContact CD1-CG1 3.43Å; I307-V319 HydrophobicContact CD1-CG2 3.92Å; I307-V319 HydrophobicContact CG1-CG1 4.27Å; I307-V319 HydrophobicContact CG1-CG2 4.36Å; I307-V319 HydrophobicContact CG2-CB 4.17Å; I307-V319 HydrophobicContact CG2-CG1 3.8Å; I307-V319 HydrophobicContact CG2-CG2 3.4Å; F312-V319 HydrophobicContact CD2-CB 3.95Å; F312-V319 HydrophobicContact CD2-CG1 3.56Å; F312-V319 HydrophobicContact CE2-CG1 4.25Å; S315-V319 WeakPolarHBondContact O-CG2 3.49Å; S315-V319 PolarHBondContact O-N 3.28Å; P316-V319 PolarHBondContact O-N 2.76Å; D317-V319 VanDerWaalsContact C-N 3.25Å; D317-V319 PolarHBondContact O-N 3.4Å; V319-H321 VanDerWaalsContact C-N 3.28Å; V319-H321 PolarHBondContact O-N 3.27Å; V319-K322 WeakPolarHBondContact O-CB 3.26Å; V319-K322 PolarHBondContact O-N 2.85Å
320L60.9Low54.7Low3 Ų358 Ų582%0.01631%0.314CS..Hα-helixtrans-69.8-28.4178.3-66.2165.5000111.8P75 Y76 L130 F312 P316 K322 Q323 Q324P75-L320 HydrophobicContact CB-CB 3.97Å; P75-L320 HydrophobicContact CG-CB 3.48Å; P75-L320 VanDerWaalsContact CG-CB 3.48Å; P75-L320 HydrophobicContact CG-CD1 3.78Å; P75-L320 HydrophobicContact CG-CG 4.21Å; Y76-L320 HydrophobicContact CE2-CD1 3.65Å; Y76-L320 WeakPolarHBondContact OH-CD2 3.5Å; L130-L320 HydrophobicContact CD1-CD1 4.09Å; F312-L320 HydrophobicContact CE2-CD1 4.09Å; F312-L320 HydrophobicContact CE2-CD2 3.62Å; F312-L320 HydrophobicContact CE2-CG 3.67Å; F312-L320 HydrophobicContact CZ-CD1 4.36Å; F312-L320 HydrophobicContact CZ-CD2 4.13Å; F312-L320 HydrophobicContact CZ-CG 4.35Å; P316-L320 HydrophobicContact CB-CD1 4.28Å; P316-L320 WeakPolarHBondContact O-CB 3.43Å; P316-L320 WeakPolarHBondContact O-CD1 3.4Å; P316-L320 VanDerWaalsContact O-CG 3.26Å; P316-L320 WeakPolarHBondContact O-CG 3.27Å; P316-L320 PolarHBondContact O-N 2.64Å; L320-K322 VanDerWaalsContact C-N 3.3Å; L320-K322 PolarHBondContact O-N 3.42Å; L320-Q323 PolarHBondContact O-N 2.99Å; L320-Q324 PolarHBondContact O-N 2.95Å; L320-Q324 VanDerWaalsContact O-N 3.12Å
321H59.8Low53.7Low58 Ų5857.6 Ų57.627%0.26931%0.31SS..Hα-helixtrans-61.2-36.6170.8-90.2-54000113K73 H74 D317 V319 Q323 Q324 S325K73-H321 PolarHBondContact O-CE1 3.26Å; K73-H321 VanDerWaalsContact O-CE1 3.23Å; K73-H321 PolarHBondContact O-NE2 3.09Å; H74-H321 PolarHBondContact N-CE1 3.07Å; D317-H321 VanDerWaalsContact O-CB 3.24Å; D317-H321 WeakPolarHBondContact O-CB 3.17Å; D317-H321 PolarHBondContact O-CD2 3.02Å; D317-H321 PolarHBondContact O-N 3.07Å; V319-H321 VanDerWaalsContact C-N 3.28Å; V319-H321 PolarHBondContact O-N 3.27Å; H321-Q323 VanDerWaalsContact C-N 3.34Å; H321-Q323 PolarHBondContact O-N 3.1Å; H321-Q324 PolarHBondContact O-N 3.43Å; H321-S325 PolarHBondContact O-N 3.04Å; H321-S325 PolarHBondContact O-OG 3.29Å
322K56.5Low52.1Low100 Ų10059.3 Ų59.344%0.43532%0.316SS..Hα-helixtrans-63.3-40.5175-77.8174176.7171.20111.4I307 V319 L320 S325 I326I307-K322 HydrophobicContact CD1-CD 3.98Å; V319-K322 WeakPolarHBondContact O-CB 3.26Å; V319-K322 PolarHBondContact O-N 2.85Å; L320-K322 VanDerWaalsContact C-N 3.3Å; L320-K322 PolarHBondContact O-N 3.42Å; K322-S325 WeakPolarHBondContact CA-OG 3.26Å; K322-S325 PolarHBondContact O-N 3.02Å; K322-S325 PolarHBondContact O-OG 3.07Å; K322-I326 WeakPolarHBondContact O-CG1 3.47Å; K322-I326 PolarHBondContact O-N 3.02Å; K322-I326 VanDerWaalsContact O-N 3.13Å
323Q51.2Low50.2Low20 Ų2064.2 Ų64.29%0.09335%0.348CS..Hα-helixtrans-62.3-45.8175.1-69.5-164.3-7600112.2T284 M288 L320 H321 S325 I326 E327T284-Q323 HydrophobicContact CG2-CG 4.38Å; T284-Q323 PolarHBondContact O-NE2 3.46Å; T284-Q323 PolarHBondContact OG1-OE1 2.81Å; M288-Q323 HydrophobicContact CE-CG 4.08Å; M288-Q323 HydrophobicContact CG-CG 3.91Å; M288-Q323 HydrophobicContact SD-CG 3.73Å; L320-Q323 PolarHBondContact O-N 2.99Å; H321-Q323 VanDerWaalsContact C-N 3.34Å; H321-Q323 PolarHBondContact O-N 3.1Å; Q323-S325 PolarHBondContact O-N 3.23Å; Q323-I326 WeakPolarHBondContact O-CB 3.2Å; Q323-I326 PolarHBondContact O-N 3.5Å; Q323-E327 PolarHBondContact O-N 3.29Å
324Q51.4Low48.7Very low35 Ų3569.5 Ų69.516%0.16438%0.376CS..Hα-helixtrans-67.2-30.9-179.5-137.8166.538.600111.9P75 K158 L320 H321 I326 D328P75-Q324 PolarHBondContact O-NE2 3.17Å; P75-Q324 VanDerWaalsContact O-NE2 3.11Å; K158-Q324 VanDerWaalsContact NZ-NE2 3.12Å; L320-Q324 PolarHBondContact O-N 2.95Å; L320-Q324 VanDerWaalsContact O-N 3.12Å; H321-Q324 PolarHBondContact O-N 3.43Å; Q324-I326 VanDerWaalsContact C-N 3.3Å; Q324-I326 PolarHBondContact O-N 2.79Å; Q324-D328 WeakPolarHBondContact O-CB 3.42Å; Q324-D328 VanDerWaalsContact O-CG 3.29Å; Q324-D328 PolarHBondContact O-N 3.19Å
325S48.3Very low47.1Very low65 Ų6573.2 Ų73.246%0.45538%0.382SS..Hα-helixtrans-68.4-27.3171.569.90000113.4H321 K322 Q323 A329H321-S325 PolarHBondContact O-N 3.04Å; H321-S325 PolarHBondContact O-OG 3.29Å; K322-S325 WeakPolarHBondContact CA-OG 3.26Å; K322-S325 PolarHBondContact O-N 3.02Å; K322-S325 PolarHBondContact O-OG 3.07Å; Q323-S325 PolarHBondContact O-N 3.23Å; S325-A329 WeakPolarHBondContact O-CA 3.48Å; S325-A329 WeakPolarHBondContact O-CB 3.46Å; S325-A329 PolarHBondContact O-N 2.87Å
326I44.4Very low45.6Very low64 Ų6477.1 Ų77.133%0.32841%0.409SS..Hα-helixtrans-75.1-46174.8-65.8161.8000109.6E291 K322 Q323 Q324 D328 A329 E330E291-I326 WeakPolarHBondContact OE2-CG2 3.41Å; K322-I326 WeakPolarHBondContact O-CG1 3.47Å; K322-I326 PolarHBondContact O-N 3.02Å; K322-I326 VanDerWaalsContact O-N 3.13Å; Q323-I326 WeakPolarHBondContact O-CB 3.2Å; Q323-I326 PolarHBondContact O-N 3.5Å; Q324-I326 VanDerWaalsContact C-N 3.3Å; Q324-I326 PolarHBondContact O-N 2.79Å; I326-D328 VanDerWaalsContact C-N 3.32Å; I326-D328 PolarHBondContact O-N 3.46Å; I326-A329 PolarHBondContact O-N 3.33Å; I326-A329 VanDerWaalsContact O-N 3.16Å; I326-E330 PolarHBondContact O-N 3.5Å
327E44.1Very low44.2Very low79 Ų7983.2 Ų83.237%0.36944%0.441SS..Hα-helixtrans-62.6-36.2173.8-68.1-178.6-177.700112.7Q323Q323-E327 PolarHBondContact O-N 3.29Å
328D42.7Very low42.6Very low66 Ų6690.5 Ų90.535%0.35348%0.475SS..Hα-helixtrans-79-26.5174.8-75.3-15.2000112.1R79 Q324 I326 E330 K331R79-D328 IonicContact NH1-OD2 2.91Å; R79-D328 PolarHBondContact NH1-OD2 2.78Å; Q324-D328 WeakPolarHBondContact O-CB 3.42Å; Q324-D328 VanDerWaalsContact O-CG 3.29Å; Q324-D328 PolarHBondContact O-N 3.19Å; I326-D328 VanDerWaalsContact C-N 3.32Å; I326-D328 PolarHBondContact O-N 3.46Å; D328-E330 VanDerWaalsContact C-N 3.3Å; D328-E330 PolarHBondContact O-N 3.39Å; D328-K331 CarbonylContact O-C 3.53Å; D328-K331 WeakPolarHBondContact O-CA 3.22Å; D328-K331 PolarHBondContact O-N 2.83Å
329A36.2Very low41.2Very low51 Ų5197.3 Ų97.342%0.42150%0.5SS..Hα-helixtrans-72.3-20.6179.800000113.3S325 I326 K331 F332S325-A329 WeakPolarHBondContact O-CA 3.48Å; S325-A329 WeakPolarHBondContact O-CB 3.46Å; S325-A329 PolarHBondContact O-N 2.87Å; I326-A329 PolarHBondContact O-N 3.33Å; I326-A329 VanDerWaalsContact O-N 3.16Å; A329-K331 PolarHBondContact O-N 2.88Å; A329-F332 PolarHBondContact O-N 3.34Å
330E42.4Very low39.6Very low163 Ų163103.4 Ų103.476%0.76254%0.537SS*.THydrogen-bonded Turntrans-58.3-6.9162-69.1-163151.500112.3I326 D328I326-E330 PolarHBondContact O-N 3.5Å; D328-E330 VanDerWaalsContact C-N 3.3Å; D328-E330 PolarHBondContact O-N 3.39Å
331K39.7Very low38.1Very low116 Ų116111.3 Ų111.350%0.50457%0.574SS.*THydrogen-bonded Turntrans-135.447.3173.8-63.8-176.6-178.8175.30114.6D328 A329D328-K331 CarbonylContact O-C 3.53Å; D328-K331 WeakPolarHBondContact O-CA 3.22Å; D328-K331 PolarHBondContact O-N 2.83Å; A329-K331 PolarHBondContact O-N 2.88Å
332F31.5Very low36.7Very low130 Ų130116.7 Ų116.757%0.5760%0.6SS**  trans112.4135.5163.9-73.2-82.7000116.9N38 A329N38-F332 HydrophobicContact CB-CE2 3.58Å; N38-F332 HydrophobicContact CB-CZ 3.5Å; N38-F332 VanDerWaalsContact CB-CZ 3.5Å; N38-F332 WeakPolarHBondContact ND2-CE2 3.23Å; N38-F332 WeakPolarHBondContact ND2-CZ 3.29Å; A329-F332 PolarHBondContact O-N 3.34Å
333P27.2Very low35.2Very low103 Ų103119.4 Ų119.467%0.66962%0.619SS**  trans-122.6124.4163.935.1-20.3000113.2
334I30.2Very low34.2Very low174 Ų174125.2 Ų125.289%0.89266%0.656SS**  trans-146.9134.2151.4-56.9-175.9000111.1
335Q26.2Very low33.2Very low175 Ų175131.9 Ų131.982%0.81869%0.687SS**  trans-68.7154.1-176-63.2160.6-41.200115.7
336S29.9Very low32.2Very low124 Ų124137.5 Ų137.587%0.86771%0.706SS**  trans-158.9154.2131.743.90000111.3
337N28.7Very low31.6Very low142 Ų142140.1 Ų140.176%0.75973%0.73SS**  trans-85.8153.6-149.4-63.2-29000116.3
338E26.9Very low30.9Very low174 Ų174145 Ų14581%0.81375%0.752SS**  trans17.9130.6138.1-63174.1169.400120.5
339E29.3Very low30.4Very low200 Ų200149 Ų14994%0.93577%0.774SS**  -154.9139.3121.6-105.4169.8-158.600110
340T24.5Very low30.5Very low129 Ų129152.4 Ų152.479%0.79178%0.781SS**  trans-104.2175.6-170.9-23.30000110.4
341E29.1Very low30.3Very low170 Ų170150.6 Ų150.679%0.79477%0.768SS**  trans104.3136.3169.4-59.8175.6-174.900114
342E29.6Very low30.4Very low171 Ų171147.7 Ų147.780%0.79976%0.758SS**  cis-164.81630-118.8179.5175.900109.2
343N26.1Very low31.2Very low156 Ų156144.4 Ų144.483%0.83475%0.748SS**  trans-67.2147.4-176.5-62.9-58.1000114.7
344T29.8Very low31.6Very low143 Ų143144.4 Ų144.488%0.87775%0.748SS**  trans-159.7151.9138.4-14.60000113.7
345E29.6Very low32.1Very low174 Ų174143.6 Ų143.681%0.81373%0.734SS**  trans-82.3161.6-158.9-63.2166.6138.100116.8
346H27.8Very low33.3Very low184 Ų184139.2 Ų139.285%0.85271%0.714SS**  trans10.4121.9152.2-63.8-52.9000121.1
347S32.6Very low33.6Very low119 Ų119138.7 Ų138.783%0.83270%0.696SS**  -167.2146120.363.40000110.6
348E29Very low34.3Very low180 Ų180137.6 Ų137.684%0.84169%0.689SS**  trans-63.4162.2178.6-66.2169.5149.200112.2
349D32.2Very low35Very low152 Ų152138.2 Ų138.281%0.81369%0.689SS**  trans76.5104.4176.5-57.1-28.6000118.7
350Q39.2Very low35.4Very low121 Ų121133.4 Ų133.457%0.56567%0.669SS**  trans157.6100132.6-86.9174.95.700111.1L352Q350-L352 VanDerWaalsContact C-N 3.33Å; Q350-L352 HydrophobicContact CB-CD1 3.93Å; Q350-L352 HydrophobicContact CG-CD1 3.81Å; Q350-L352 PolarHBondContact O-N 3.49Å
351Y38.1Very low36Very low125 Ų125133.9 Ų133.949%0.4967%0.667SS.*  trans-80.782.4159.5-69-87.5000108.6N197N197-Y351 HydrophobicContact CB-CE1 4.42Å; N197-Y351 PolarHBondContact ND2-OH 2.89Å
352L41Very low36.3Very low55 Ų55133.7 Ų133.729%0.28866%0.663SS.*  trans-130.2129.3166.5-75103.2000110Q350 Q356 L360Q350-L352 VanDerWaalsContact C-N 3.33Å; Q350-L352 HydrophobicContact CB-CD1 3.93Å; Q350-L352 HydrophobicContact CG-CD1 3.81Å; Q350-L352 PolarHBondContact O-N 3.49Å; L352-Q356 HydrophobicContact CB-CB 3.79Å; L352-Q356 HydrophobicContact CD2-CB 3.49Å; L352-Q356 VanDerWaalsContact CD2-CB 3.49Å; L352-Q356 HydrophobicContact CD2-CG 4.28Å; L352-Q356 HydrophobicContact CG-CB 4.07Å; L352-L360 HydrophobicContact CD2-CD1 4.04Å
353T47.5Very low36.8Very low61 Ų61128.2 Ų128.237%0.37465%0.647SS.*  trans-59.8156.317258.10000110.6R355 Q356 K357T353-R355 PolarHBondContact O-N 2.77Å; T353-Q356 CarbonylContact O-C 3.59Å; T353-Q356 WeakPolarHBondContact O-CA 3.2Å; T353-Q356 WeakPolarHBondContact O-CB 3.34Å; T353-Q356 PolarHBondContact O-N 2.99Å; T353-Q356 WeakPolarHBondContact OG1-CG 2.99Å; T353-Q356 PolarHBondContact OG1-N 3.06Å; T353-Q356 PolarHBondContact OG1-OE1 2.68Å; T353-K357 PolarHBondContact O-N 2.94Å
354P35.5Very low37.8Very low103 Ų103124.2 Ų124.267%0.66963%0.629SS**Hα-helixtrans-52.2-31.5173.4-28.435.5000113.6Q356 K357 I358P354-Q356 VanDerWaalsContact C-N 3.34Å; P354-K357 PolarHBondContact O-N 3.4Å; P354-I358 VanDerWaalsContact O-CG1 3.28Å; P354-I358 WeakPolarHBondContact O-CG1 3.32Å; P354-I358 PolarHBondContact O-N 2.96Å
355R42.2Very low38.3Very low158 Ų158123.9 Ų123.960%0.59662%0.617SS**Hα-helixtrans-64.1-36.6173-115.3179.6171.1172.4-1.3113.1D61 T353 K359D61-R355 IonicContact OD1-CZ 3.29Å; D61-R355 IonicContact OD1-NH1 3.86Å; D61-R355 IonicContact OD1-NH2 3.58Å; D61-R355 PolarHBondContact OD1-NH2 3.38Å; D61-R355 IonicContact OD2-CZ 3.99Å; D61-R355 VanDerWaalsContact OD2-CZ 3.29Å; D61-R355 IonicContact OD2-NH1 2.98Å; D61-R355 PolarHBondContact OD2-NH1 3.45Å; D61-R355 IonicContact OD2-NH2 3.09Å; D61-R355 PolarHBondContact OD2-NH2 2.98Å; T353-R355 PolarHBondContact O-N 2.77Å; R355-K359 PolarHBondContact O-N 2.93Å
356Q50.3Low39.1Very low83 Ų83118 Ų11839%0.38860%0.595SS.*Hα-helixtrans-78.8-32.9175.3-71.6166.6-49.900112L352 T353 P354 I358 K359 L360L352-Q356 HydrophobicContact CB-CB 3.79Å; L352-Q356 HydrophobicContact CD2-CB 3.49Å; L352-Q356 VanDerWaalsContact CD2-CB 3.49Å; L352-Q356 HydrophobicContact CD2-CG 4.28Å; L352-Q356 HydrophobicContact CG-CB 4.07Å; T353-Q356 CarbonylContact O-C 3.59Å; T353-Q356 WeakPolarHBondContact O-CA 3.2Å; T353-Q356 WeakPolarHBondContact O-CB 3.34Å; T353-Q356 PolarHBondContact O-N 2.99Å; T353-Q356 WeakPolarHBondContact OG1-CG 2.99Å; T353-Q356 PolarHBondContact OG1-N 3.06Å; T353-Q356 PolarHBondContact OG1-OE1 2.68Å; P354-Q356 VanDerWaalsContact C-N 3.34Å; Q356-I358 VanDerWaalsContact C-N 3.34Å; Q356-I358 PolarHBondContact O-N 3.38Å; Q356-K359 PolarHBondContact O-N 3.11Å; Q356-L360 WeakPolarHBondContact O-CB 3.33Å; Q356-L360 PolarHBondContact O-N 3.42Å
357K37.1Very low40.1Very low113 Ų113112.7 Ų112.749%0.49157%0.573SS.*Hα-helixtrans-63.3-36.7169.6-79-173.4174-175.80112.7T353 P354 L360 N361T353-K357 PolarHBondContact O-N 2.94Å; P354-K357 PolarHBondContact O-N 3.4Å; K357-L360 PolarHBondContact O-N 2.84Å; K357-N361 WeakPolarHBondContact O-CB 3.17Å; K357-N361 VanDerWaalsContact O-CG 3.28Å; K357-N361 PolarHBondContact O-N 3.28Å
358I42.2Very low40.8Very low119 Ų119112.4 Ų112.461%0.6156%0.557SS**Hα-helixtrans-75.8-28.7177.1-66.7165.7000112.2P354 Q356P354-I358 VanDerWaalsContact O-CG1 3.28Å; P354-I358 WeakPolarHBondContact O-CG1 3.32Å; P354-I358 PolarHBondContact O-N 2.96Å; Q356-I358 VanDerWaalsContact C-N 3.34Å; Q356-I358 PolarHBondContact O-N 3.38Å
359K42.9Very low41.5Very low186 Ų186106.4 Ų106.481%0.80953%0.532SS*.Hα-helixtrans-76.3-31.2169.8-92-173.6171.1-172.20113.1R355 Q356R355-K359 PolarHBondContact O-N 2.93Å; Q356-K359 PolarHBondContact O-N 3.11Å
360L37.5Very low42.4Very low100 Ų100103.4 Ų103.452%0.52452%0.516SS..Hα-helixtrans-76-31.5175.7-121.284.8000112.9L352 Q356 K357 K362L352-L360 HydrophobicContact CD2-CD1 4.04Å; Q356-L360 WeakPolarHBondContact O-CB 3.33Å; Q356-L360 PolarHBondContact O-N 3.42Å; K357-L360 PolarHBondContact O-N 2.84Å; L360-K362 PolarHBondContact O-N 3.24Å
361N36.8Very low43Very low138 Ų138100.4 Ų100.474%0.73851%0.511SS*.THydrogen-bonded Turntrans-84.415.4-178.3-72.4-6.8000114.6K357K357-N361 WeakPolarHBondContact O-CB 3.17Å; K357-N361 VanDerWaalsContact O-CG 3.28Å; K357-N361 PolarHBondContact O-N 3.28Å
362K36.1Very low43.7Very low167 Ų16798.6 Ų98.673%0.72651%0.513SS*.THydrogen-bonded Turntrans-121.115.6171.1-81.1-168.5173.3-169.90113.4L360 T364L360-K362 PolarHBondContact O-N 3.24Å; K362-T364 PolarHBondContact O-N 3.21Å
363A40Very low44.1Very low56 Ų5699 Ų9946%0.46352%0.515SS..  trans-67.199.616400000108.5D367A363-D367 VanDerWaalsContact CA-OD2 3.26Å; A363-D367 WeakPolarHBondContact CA-OD2 3.42Å; A363-D367 HydrophobicContact CB-CB 4.06Å
364T46.9Very low44.5Very low72 Ų72103 Ų10344%0.44252%0.523SS..  trans-62.5160.517548.10000110K362 S366 D367 K368K362-T364 PolarHBondContact O-N 3.21Å; T364-S366 WeakPolarHBondContact CB-OG 3.47Å; T364-S366 PolarHBondContact O-N 3.46Å; T364-S366 PolarHBondContact OG1-OG 3.01Å; T364-D367 PolarHBondContact N-OD2 3.41Å; T364-D367 WeakPolarHBondContact O-CB 3.4Å; T364-D367 PolarHBondContact O-N 3.09Å; T364-D367 PolarHBondContact OG1-OD2 3.11Å; T364-K368 PolarHBondContact O-N 3.36Å
365E40.8Very low45.5Very low135 Ų135102.1 Ų102.163%0.63151%0.513SS*.Hα-helixtrans-54.5-25.1172.6-147.172.6177.600111.1K368 T369E365-K368 IonicContact OE1-NZ 2.7Å; E365-K368 IonicContact OE2-NZ 2.8Å; E365-K368 PolarHBondContact OE2-NZ 3.1Å; E365-T369 WeakPolarHBondContact O-CB 3.34Å; E365-T369 PolarHBondContact O-N 3.37Å; E365-T369 PolarHBondContact O-OG1 3.46Å
366S44.9Very low46.1Very low50 Ų5098.6 Ų98.635%0.3551%0.505SS..Hα-helixtrans-68.2-34.817052.70000114.3T364 T369 I370T364-S366 WeakPolarHBondContact CB-OG 3.47Å; T364-S366 PolarHBondContact O-N 3.46Å; T364-S366 PolarHBondContact OG1-OG 3.01Å; S366-T369 PolarHBondContact O-N 2.68Å; S366-I370 WeakPolarHBondContact O-CB 3.35Å; S366-I370 WeakPolarHBondContact O-CG1 3.18Å; S366-I370 PolarHBondContact O-N 2.96Å
367D48.8Very low46.2Very low73 Ų7396 Ų9639%0.3950%0.499SS..Hα-helixtrans-69-37.7176.8-64-50.5000111.6A363 T364 T369 I370 A371A363-D367 VanDerWaalsContact CA-OD2 3.26Å; A363-D367 WeakPolarHBondContact CA-OD2 3.42Å; A363-D367 HydrophobicContact CB-CB 4.06Å; T364-D367 PolarHBondContact N-OD2 3.41Å; T364-D367 WeakPolarHBondContact O-CB 3.4Å; T364-D367 PolarHBondContact O-N 3.09Å; T364-D367 PolarHBondContact OG1-OD2 3.11Å; D367-T369 VanDerWaalsContact C-N 3.35Å; D367-I370 PolarHBondContact O-N 3.15Å; D367-A371 WeakPolarHBondContact O-CB 3.14Å; D367-A371 PolarHBondContact O-N 3.12Å
368K46.9Very low47.2Very low114 Ų11496.3 Ų96.350%0.49650%0.502SS..Hα-helixtrans-63.4-42.7170.3-65.6178.7-166.6154.70111.2T364 E365 A371 V372T364-K368 PolarHBondContact O-N 3.36Å; E365-K368 IonicContact OE1-NZ 2.7Å; E365-K368 IonicContact OE2-NZ 2.8Å; E365-K368 PolarHBondContact OE2-NZ 3.1Å; K368-A371 PolarHBondContact O-N 3.05Å; K368-V372 VanDerWaalsContact O-CG2 3.31Å; K368-V372 WeakPolarHBondContact O-CG2 3.26Å; K368-V372 PolarHBondContact O-N 3.08Å
369T45.3Very low47.9Very low53 Ų5395.6 Ų95.633%0.32550%0.496SS..Hα-helixtrans-66-41.2179.3-50.20000111.1E365 S366 D367 V372 L373 Y427E365-T369 WeakPolarHBondContact O-CB 3.34Å; E365-T369 PolarHBondContact O-N 3.37Å; E365-T369 PolarHBondContact O-OG1 3.46Å; S366-T369 PolarHBondContact O-N 2.68Å; D367-T369 VanDerWaalsContact C-N 3.35Å; T369-V372 PolarHBondContact O-N 3.49Å; T369-L373 HydrophobicContact CG2-CD1 4.09Å; T369-L373 HydrophobicContact CG2-CG 4.43Å; T369-L373 WeakPolarHBondContact O-CB 3.39Å; T369-L373 VanDerWaalsContact O-CG 3.22Å; T369-L373 WeakPolarHBondContact O-CG 3.5Å; T369-L373 PolarHBondContact O-N 2.79Å; T369-Y427 WeakPolarHBondContact CG2-OH 3.33Å
370I51.2Low48.2Very low90 Ų9090.5 Ų90.546%0.46248%0.477SS..Hα-helixtrans-63.8-42.2175.2-71.2165000110.8S366 D367 L373 R374S366-I370 WeakPolarHBondContact O-CB 3.35Å; S366-I370 WeakPolarHBondContact O-CG1 3.18Å; S366-I370 PolarHBondContact O-N 2.96Å; D367-I370 PolarHBondContact O-N 3.15Å; I370-L373 PolarHBondContact O-N 2.84Å; I370-R374 WeakPolarHBondContact O-CB 3.21Å; I370-R374 PolarHBondContact O-N 2.62Å
371A51.3Low49.1Very low57 Ų5787.9 Ų87.947%0.47147%0.465SS..Hα-helixtrans-62.5-44.5175.800000112D367 K368 R374 D375D367-A371 WeakPolarHBondContact O-CB 3.14Å; D367-A371 PolarHBondContact O-N 3.12Å; K368-A371 PolarHBondContact O-N 3.05Å; A371-R374 PolarHBondContact O-N 2.93Å; A371-D375 WeakPolarHBondContact O-CB 3.25Å; A371-D375 PolarHBondContact O-N 3.2Å
372V53.2Low50Low87 Ų8787.9 Ų87.953%0.52746%0.461SS..Hα-helixtrans-62.5-42.5175171.10000111.2K368 T369 D375 L376K368-V372 VanDerWaalsContact O-CG2 3.31Å; K368-V372 WeakPolarHBondContact O-CG2 3.26Å; K368-V372 PolarHBondContact O-N 3.08Å; T369-V372 PolarHBondContact O-N 3.49Å; V372-D375 PolarHBondContact O-N 3.03Å; V372-L376 HydrophobicContact CG1-CD1 4.47Å; V372-L376 WeakPolarHBondContact O-CB 3.35Å; V372-L376 PolarHBondContact O-N 2.77Å
373L49.3Very low50.7Low63 Ų6383.4 Ų83.433%0.3345%0.447SS..Hα-helixtrans-67.3-35.7177.9-73.1171.5000112.3T369 I370 L376 A377 Y427T369-L373 HydrophobicContact CG2-CD1 4.09Å; T369-L373 HydrophobicContact CG2-CG 4.43Å; T369-L373 WeakPolarHBondContact O-CB 3.39Å; T369-L373 VanDerWaalsContact O-CG 3.22Å; T369-L373 WeakPolarHBondContact O-CG 3.5Å; T369-L373 PolarHBondContact O-N 2.79Å; I370-L373 PolarHBondContact O-N 2.84Å; L373-L376 PolarHBondContact O-N 3.42Å; L373-A377 VanDerWaalsContact O-CB 3.32Å; L373-A377 WeakPolarHBondContact O-CB 3.46Å; L373-A377 PolarHBondContact O-N 3.24Å; L373-Y427 HydrophobicContact CD1-CE2 4.42Å
374R54.6Low51.3Low146 Ų14686.8 Ų86.855%0.55145%0.448SS*.Hα-helixtrans-67.1-44.2175.5-160.6178.5-164.8148.39.2111I370 A371 A377 E378 E614I370-R374 WeakPolarHBondContact O-CB 3.21Å; I370-R374 PolarHBondContact O-N 2.62Å; A371-R374 PolarHBondContact O-N 2.93Å; R374-A377 PolarHBondContact O-N 3.01Å; R374-E378 WeakPolarHBondContact O-CB 3.26Å; R374-E378 WeakPolarHBondContact O-CG 3.31Å; R374-E378 PolarHBondContact O-N 3.02Å; R374-E614 IonicContact NH2-OE2 3.72Å
375D57.6Low51.7Low84 Ų8488.1 Ų88.145%0.44945%0.452SS..Hα-helixtrans-62.7-42.7174.2-17543000111.6A371 V372 A377 E378 Q379A371-D375 WeakPolarHBondContact O-CB 3.25Å; A371-D375 PolarHBondContact O-N 3.2Å; V372-D375 PolarHBondContact O-N 3.03Å; D375-A377 PolarHBondContact O-N 3.17Å; D375-E378 PolarHBondContact O-N 3.4Å; D375-Q379 WeakPolarHBondContact O-CB 2.94Å; D375-Q379 VanDerWaalsContact O-CG 3.28Å; D375-Q379 WeakPolarHBondContact O-CG 3.5Å; D375-Q379 PolarHBondContact O-N 3.49Å; D375-Q379 PolarHBondContact OD1-NE2 2.67Å; D375-Q379 PolarHBondContact OD2-NE2 3.44Å
376L54.6Low52.3Low84 Ų8486 Ų8644%0.4445%0.452SS..Hα-helixtrans-62.4-41.5173.9-117.1153.3000112.3V372 L373 Q379 L380V372-L376 HydrophobicContact CG1-CD1 4.47Å; V372-L376 WeakPolarHBondContact O-CB 3.35Å; V372-L376 PolarHBondContact O-N 2.77Å; L373-L376 PolarHBondContact O-N 3.42Å; L376-Q379 PolarHBondContact O-N 3.16Å; L376-L380 HydrophobicContact CD2-CD1 4.23Å; L376-L380 HydrophobicContact CD2-CG 4.44Å; L376-L380 WeakPolarHBondContact O-CB 3.35Å; L376-L380 VanDerWaalsContact O-CG 3.24Å; L376-L380 WeakPolarHBondContact O-CG 3.35Å; L376-L380 PolarHBondContact O-N 2.94Å
377A52Low52.2Low30 Ų3085.4 Ų85.425%0.24845%0.445CS..Hα-helixtrans-66.2-39.8176.500000111.8L373 R374 D375 L380 T381L373-A377 VanDerWaalsContact O-CB 3.32Å; L373-A377 WeakPolarHBondContact O-CB 3.46Å; L373-A377 PolarHBondContact O-N 3.24Å; R374-A377 PolarHBondContact O-N 3.01Å; D375-A377 PolarHBondContact O-N 3.17Å; A377-L380 PolarHBondContact O-N 2.8Å; A377-T381 VanDerWaalsContact O-CB 3.29Å; A377-T381 WeakPolarHBondContact O-CB 3.19Å; A377-T381 PolarHBondContact O-N 3.37Å; A377-T381 PolarHBondContact O-OG1 3.41Å
378E58.2Low51.9Low119 Ų11989.5 Ų89.556%0.55647%0.467SS*.Hα-helixtrans-66-43.7174.1-78.5177.6-169.800111.5R374 D375 L380 T381 H382R374-E378 WeakPolarHBondContact O-CB 3.26Å; R374-E378 WeakPolarHBondContact O-CG 3.31Å; R374-E378 PolarHBondContact O-N 3.02Å; D375-E378 PolarHBondContact O-N 3.4Å; E378-L380 PolarHBondContact O-N 3.33Å; E378-T381 PolarHBondContact O-N 2.86Å; E378-H382 VanDerWaalsContact O-CB 3.31Å; E378-H382 WeakPolarHBondContact O-CB 3.3Å; E378-H382 PolarHBondContact O-N 2.76Å
379Q57.5Low51.9Low104 Ų10486 Ų8649%0.48646%0.457SS..Hα-helixtrans-62.4-42.5174.8-73.2176.72900112D375 L376 H382 T383D375-Q379 WeakPolarHBondContact O-CB 2.94Å; D375-Q379 VanDerWaalsContact O-CG 3.28Å; D375-Q379 WeakPolarHBondContact O-CG 3.5Å; D375-Q379 PolarHBondContact O-N 3.49Å; D375-Q379 PolarHBondContact OD1-NE2 2.67Å; D375-Q379 PolarHBondContact OD2-NE2 3.44Å; L376-Q379 PolarHBondContact O-N 3.16Å; Q379-H382 PolarHBondContact O-N 3.25Å; Q379-T383 WeakPolarHBondContact O-CB 3.34Å; Q379-T383 PolarHBondContact O-N 3.35Å; Q379-T383 PolarHBondContact O-OG1 3.33Å
380L49.8Very low52.2Low78 Ų7888 Ų8841%0.40847%0.469SS..Hα-helixtrans-66.1-38.4175.2-74170.8000111.6L376 A377 E378 T383 R384L376-L380 HydrophobicContact CD2-CD1 4.23Å; L376-L380 HydrophobicContact CD2-CG 4.44Å; L376-L380 WeakPolarHBondContact O-CB 3.35Å; L376-L380 VanDerWaalsContact O-CG 3.24Å; L376-L380 WeakPolarHBondContact O-CG 3.35Å; L376-L380 PolarHBondContact O-N 2.94Å; A377-L380 PolarHBondContact O-N 2.8Å; E378-L380 PolarHBondContact O-N 3.33Å; L380-T383 PolarHBondContact O-N 3.44Å; L380-R384 VanDerWaalsContact O-CB 3.26Å; L380-R384 WeakPolarHBondContact O-CB 3.29Å; L380-R384 PolarHBondContact O-N 3.46Å
381T55.7Low52.2Low46 Ų4690.8 Ų90.828%0.28248%0.478SS..Hα-helixtrans-68.2-40.3175.9-55.80000111.1A377 E378 T383 R384 N385A377-T381 VanDerWaalsContact O-CB 3.29Å; A377-T381 WeakPolarHBondContact O-CB 3.19Å; A377-T381 PolarHBondContact O-N 3.37Å; A377-T381 PolarHBondContact O-OG1 3.41Å; E378-T381 PolarHBondContact O-N 2.86Å; T381-T383 VanDerWaalsContact C-N 3.34Å; T381-R384 PolarHBondContact O-N 3.48Å; T381-N385 VanDerWaalsContact O-CB 3.31Å; T381-N385 WeakPolarHBondContact O-CB 3.43Å; T381-N385 PolarHBondContact O-N 3.22Å; T381-N385 PolarHBondContact O-ND2 2.82Å; T381-N385 PolarHBondContact O-OD1 2.67Å
382H54.8Low52.1Low138 Ų13895.5 Ų95.564%0.63949%0.49SS*.Hα-helixtrans-67.3-36.5174.6-160.5-58.3000111.4E378 Q379 S386E378-H382 VanDerWaalsContact O-CB 3.31Å; E378-H382 WeakPolarHBondContact O-CB 3.3Å; E378-H382 PolarHBondContact O-N 2.76Å; Q379-H382 PolarHBondContact O-N 3.25Å; H382-S386 WeakPolarHBondContact O-CB 3.46Å; H382-S386 PolarHBondContact O-N 2.86Å
383T52.3Low52.3Low73 Ų7394.1 Ų94.145%0.44848%0.482SS..Hα-helixtrans-67.4-42.9173.7-52.50000110.6Q379 L380 T381 S386 L387Q379-T383 WeakPolarHBondContact O-CB 3.34Å; Q379-T383 PolarHBondContact O-N 3.35Å; Q379-T383 PolarHBondContact O-OG1 3.33Å; L380-T383 PolarHBondContact O-N 3.44Å; T381-T383 VanDerWaalsContact C-N 3.34Å; T383-S386 PolarHBondContact O-N 2.84Å; T383-L387 HydrophobicContact CG2-CD1 3.97Å; T383-L387 WeakPolarHBondContact O-CB 3.43Å; T383-L387 WeakPolarHBondContact O-CD1 3.38Å; T383-L387 VanDerWaalsContact O-CG 3.29Å; T383-L387 WeakPolarHBondContact O-CG 3.4Å; T383-L387 PolarHBondContact O-N 3.47Å
384R52.1Low52.4Low127 Ų12793.8 Ų93.848%0.47948%0.479SS..Hα-helixtrans-61.1-44.5174.8-179.7-179.2129.8141.6-0.2111.9L380 T381 S386 L387L380-R384 VanDerWaalsContact O-CB 3.26Å; L380-R384 WeakPolarHBondContact O-CB 3.29Å; L380-R384 PolarHBondContact O-N 3.46Å; T381-R384 PolarHBondContact O-N 3.48Å; R384-S386 VanDerWaalsContact C-N 3.35Å; R384-L387 PolarHBondContact O-N 2.74Å
385N54.8Low52.3Low99 Ų9989.5 Ų89.553%0.52947%0.467SS..Hα-helixtrans-75-25.5179-66-10.7000112.2T381T381-N385 VanDerWaalsContact O-CB 3.31Å; T381-N385 WeakPolarHBondContact O-CB 3.43Å; T381-N385 PolarHBondContact O-N 3.22Å; T381-N385 PolarHBondContact O-ND2 2.82Å; T381-N385 PolarHBondContact O-OD1 2.67Å
386S53Low52.3Low90 Ų9091.2 Ų91.263%0.62947%0.47SS*.Hα-helixtrans-78.4-20.2172.7-172.30000112.9H382 T383 R384 N388H382-S386 WeakPolarHBondContact O-CB 3.46Å; H382-S386 PolarHBondContact O-N 2.86Å; T383-S386 PolarHBondContact O-N 2.84Å; R384-S386 VanDerWaalsContact C-N 3.35Å; S386-N388 VanDerWaalsContact C-N 3.29Å; S386-N388 PolarHBondContact O-N 3.35Å; S386-N388 VanDerWaalsContact O-N 3.14Å
387L43.9Very low52.4Low39 Ų3990.5 Ų90.520%0.20447%0.469CS..  trans-86.765.3176-76.3158.2000110.8T383 R384 S389 Q394 T397T383-L387 HydrophobicContact CG2-CD1 3.97Å; T383-L387 WeakPolarHBondContact O-CB 3.43Å; T383-L387 WeakPolarHBondContact O-CD1 3.38Å; T383-L387 VanDerWaalsContact O-CG 3.29Å; T383-L387 WeakPolarHBondContact O-CG 3.4Å; T383-L387 PolarHBondContact O-N 3.47Å; R384-L387 PolarHBondContact O-N 2.74Å; L387-S389 PolarHBondContact O-N 2.99Å; L387-Q394 HydrophobicContact CB-CG 3.93Å; L387-Q394 PolarHBondContact O-NE2 3.37Å; L387-T397 HydrophobicContact CD2-CG2 4.29Å
388N42.9Very low52.2Low158 Ų15890.3 Ų90.385%0.84546%0.462SS*.  trans-74.559.1171.5-88.8-17000112.1S386S386-N388 VanDerWaalsContact C-N 3.29Å; S386-N388 PolarHBondContact O-N 3.35Å; S386-N388 VanDerWaalsContact O-N 3.14Å
389S46.1Very low52.2Low41 Ų4188.8 Ų88.829%0.28746%0.455SS..SBendtrans-148.7156.8177.960.80000111.1L387 T393 Q394L387-S389 PolarHBondContact O-N 2.99Å; S389-T393 VanDerWaalsContact CB-CB 3.44Å; S389-T393 WeakPolarHBondContact OG-CB 3.02Å; S389-T393 WeakPolarHBondContact OG-CG2 3.38Å; S389-Q394 WeakPolarHBondContact O-CG 3.34Å; S389-Q394 PolarHBondContact O-NE2 2.92Å
390T51.3Low52.6Low94 Ų9491.4 Ų91.458%0.57747%0.465SS*.  trans-45.8155.3-178.139.80000112.9E392 T393 Q394T390-E392 PolarHBondContact O-N 2.86Å; T390-T393 PolarHBondContact O-N 2.73Å; T390-T393 PolarHBondContact OG1-OG1 3.19Å; T390-T393 VanDerWaalsContact OG1-OG1 3.04Å; T390-Q394 PolarHBondContact O-N 3.19Å
391K50.7Low52.6Low150 Ų15089.7 Ų89.765%0.65247%0.467SS*.Hα-helixtrans-43.1-35.6175.2-111.6-179178.3179.10113.2L395K391-L395 WeakPolarHBondContact O-CB 3.49Å; K391-L395 PolarHBondContact O-N 3.44Å
392E50.7Low51.8Low155 Ų15594.1 Ų94.172%0.72448%0.479SS*.Hα-helixtrans-71.9-41.6178.7-68.9173.7156.600113T390 L395 F396T390-E392 PolarHBondContact O-N 2.86Å; E392-L395 PolarHBondContact O-N 3.17Å; E392-F396 VanDerWaalsContact O-CB 3.28Å; E392-F396 WeakPolarHBondContact O-CB 3.45Å; E392-F396 PolarHBondContact O-N 2.79Å
393T56.3Low51.3Low59 Ų5991.6 Ų91.636%0.36248%0.475SS..Hα-helixtrans-71.8-37.6177.1-46.80000110.6S389 T390 F396 T397S389-T393 VanDerWaalsContact CB-CB 3.44Å; S389-T393 WeakPolarHBondContact OG-CB 3.02Å; S389-T393 WeakPolarHBondContact OG-CG2 3.38Å; T390-T393 PolarHBondContact O-N 2.73Å; T390-T393 PolarHBondContact OG1-OG1 3.19Å; T390-T393 VanDerWaalsContact OG1-OG1 3.04Å; T393-F396 PolarHBondContact O-N 3.2Å; T393-T397 WeakPolarHBondContact O-CB 3.2Å; T393-T397 PolarHBondContact O-N 3.47Å; T393-T397 PolarHBondContact O-OG1 3.38Å
394Q51.3Low50.8Low56 Ų5692.4 Ų92.426%0.26248%0.484SS..Hα-helixtrans-57.8-47.4169.2-77178.3-6.100112.4L387 S389 T390 W398 W409L387-Q394 HydrophobicContact CB-CG 3.93Å; L387-Q394 PolarHBondContact O-NE2 3.37Å; S389-Q394 WeakPolarHBondContact O-CG 3.34Å; S389-Q394 PolarHBondContact O-NE2 2.92Å; T390-Q394 PolarHBondContact O-N 3.19Å; Q394-W398 VanDerWaalsContact O-CB 3.25Å; Q394-W398 WeakPolarHBondContact O-CB 3.48Å; Q394-W398 PolarHBondContact O-N 3.1Å; Q394-W398 VanDerWaalsContact O-N 3.16Å; Q394-W409 HydrophobicContact CB-CH2 3.97Å; Q394-W409 HydrophobicContact CB-CZ2 4.45Å
395L53.9Low50.5Low56 Ų5689.3 Ų89.329%0.29348%0.476SS..Hα-helixtrans-63.8-45.2176.7-167.481.7000111.7K391 E392 W398 Q399 W409K391-L395 WeakPolarHBondContact O-CB 3.49Å; K391-L395 PolarHBondContact O-N 3.44Å; E392-L395 PolarHBondContact O-N 3.17Å; L395-W398 PolarHBondContact O-N 2.53Å; L395-Q399 HydrophobicContact CG-CG 4.43Å; L395-Q399 VanDerWaalsContact O-CB 3.26Å; L395-Q399 WeakPolarHBondContact O-CB 3.47Å; L395-Q399 WeakPolarHBondContact O-CG 3.31Å; L395-Q399 PolarHBondContact O-N 3.25Å; L395-W409 HydrophobicContact CB-CZ2 4.01Å; L395-W409 HydrophobicContact CD1-CD2 3.86Å; L395-W409 HydrophobicContact CD1-CG 4.06Å; L395-W409 HydrophobicContact CD1-CZ2 3.64Å; L395-W409 HydrophobicContact CG-CZ2 4.45Å
396F56.2Low50.2Low119 Ų11988.3 Ų88.352%0.52247%0.471SS..Hα-helixtrans-66.6-43.3-177.3-174.6-98.9000112.4E392 T393 W398 K400E392-F396 VanDerWaalsContact O-CB 3.28Å; E392-F396 WeakPolarHBondContact O-CB 3.45Å; E392-F396 PolarHBondContact O-N 2.79Å; T393-F396 PolarHBondContact O-N 3.2Å; F396-W398 VanDerWaalsContact C-N 3.34Å; F396-K400 HydrophobicContact CE1-CD 4.03Å; F396-K400 HydrophobicContact CZ-CD 4.19Å; F396-K400 WeakPolarHBondContact O-CB 3.29Å; F396-K400 PolarHBondContact O-N 3.46Å
397T56.1Low50.1Low69 Ų6990.7 Ų90.742%0.42347%0.472SS..Hα-helixtrans-68.1-38.4-179.2-39.80000110.5L387 T393 G401L387-T397 HydrophobicContact CD2-CG2 4.29Å; T393-T397 WeakPolarHBondContact O-CB 3.2Å; T393-T397 PolarHBondContact O-N 3.47Å; T393-T397 PolarHBondContact O-OG1 3.38Å; T397-G401 PolarHBondContact O-N 3.49Å
398W49.7Very low50.2Low26 Ų2691.5 Ų91.510%0.09848%0.476CS..Hα-helixtrans-73.9-40.2177.7-169.582.6000112.9Q394 L395 F396 K400 G401 Y402 L405 I408 W409 I412Q394-W398 VanDerWaalsContact O-CB 3.25Å; Q394-W398 WeakPolarHBondContact O-CB 3.48Å; Q394-W398 PolarHBondContact O-N 3.1Å; Q394-W398 VanDerWaalsContact O-N 3.16Å; L395-W398 PolarHBondContact O-N 2.53Å; F396-W398 VanDerWaalsContact C-N 3.34Å; W398-K400 VanDerWaalsContact C-N 3.31Å; W398-K400 PolarHBondContact O-N 3.29Å; W398-G401 PolarHBondContact O-N 3.12Å; W398-Y402 PolarHBondContact O-N 3.18Å; W398-L405 VanDerWaalsContact CH2-C 3.4Å; W398-L405 HydrophobicContact CH2-CB 4.31Å; W398-L405 WeakPolarHBondContact CH2-O 3.37Å; W398-L405 HydrophobicContact CZ2-CB 3.8Å; W398-L405 VanDerWaalsContact CZ2-O 3.28Å; W398-L405 WeakPolarHBondContact CZ2-O 3.08Å; W398-I408 HydrophobicContact CH2-CB 4.46Å; W398-I408 HydrophobicContact CZ2-CB 4.23Å; W398-W409 HydrophobicContact CB-CE3 4.29Å; W398-W409 HydrophobicContact CB-CH2 4.33Å; W398-W409 HydrophobicContact CB-CZ3 3.64Å; W398-W409 HydrophobicContact CD2-CD2 4.48Å; W398-W409 AromaticContact CD2-CE3 3.37Å; W398-W409 HydrophobicContact CD2-CE3 3.37Å; W398-W409 AromaticContact CD2-CZ3 3.62Å; W398-W409 HydrophobicContact CD2-CZ3 3.62Å; W398-W409 AromaticContact CE2-CE3 3.85Å; W398-W409 HydrophobicContact CE3-CB 4.34Å; W398-W409 AromaticContact CE3-CD2 3.97Å; W398-W409 HydrophobicContact CE3-CD2 3.97Å; W398-W409 AromaticContact CE3-CE3 3.25Å; W398-W409 HydrophobicContact CE3-CE3 3.25Å; W398-W409 HydrophobicContact CE3-CG 4.43Å; W398-W409 AromaticContact CE3-CZ3 3.83Å; W398-W409 HydrophobicContact CE3-CZ3 3.83Å; W398-W409 AromaticContact CG-CE3 3.87Å; W398-W409 HydrophobicContact CG-CE3 3.87Å; W398-W409 AromaticContact CG-CZ3 3.56Å; W398-W409 HydrophobicContact CG-CZ3 3.56Å; W398-W409 HydrophobicContact CH2-CB 3.56Å; W398-W409 HydrophobicContact CH2-CD2 4.5Å; W398-W409 AromaticContact CH2-CE3 3.97Å; W398-W409 HydrophobicContact CH2-CE3 3.97Å; W398-W409 HydrophobicContact CH2-CG 4.4Å; W398-W409 HydrophobicContact CZ2-CE3 4.14Å; W398-W409 HydrophobicContact CZ3-CB 3.47Å; W398-W409 VanDerWaalsContact CZ3-CB 3.47Å; W398-W409 AromaticContact CZ3-CD2 3.99Å; W398-W409 HydrophobicContact CZ3-CD2 3.99Å; W398-W409 AromaticContact CZ3-CE3 3.57Å; W398-W409 HydrophobicContact CZ3-CE3 3.57Å; W398-W409 AromaticContact CZ3-CG 3.99Å; W398-W409 HydrophobicContact CZ3-CG 3.99Å; W398-I412 HydrophobicContact CH2-CD1 4.43Å; W398-I412 HydrophobicContact CZ2-CD1 3.45Å; W398-I412 VanDerWaalsContact CZ2-CD1 3.45Å
399Q57Low50.5Low88 Ų8886 Ų8641%0.41144%0.443SS..Hα-helixtrans-63-33.9172.9-77.5177.8-14.600112.9L395L395-Q399 HydrophobicContact CG-CG 4.43Å; L395-Q399 VanDerWaalsContact O-CB 3.26Å; L395-Q399 WeakPolarHBondContact O-CB 3.47Å; L395-Q399 WeakPolarHBondContact O-CG 3.31Å; L395-Q399 PolarHBondContact O-N 3.25Å
400K66.4Low50.5Low158 Ų15888.2 Ų88.269%0.68746%0.457SS*.Hα-helixtrans-77.1-37.7173.7-99.2-162.6171.7-173.10113.4F396 W398F396-K400 HydrophobicContact CE1-CD 4.03Å; F396-K400 HydrophobicContact CZ-CD 4.19Å; F396-K400 WeakPolarHBondContact O-CB 3.29Å; F396-K400 PolarHBondContact O-N 3.46Å; W398-K400 VanDerWaalsContact C-N 3.31Å; W398-K400 PolarHBondContact O-N 3.29Å
401G50.1Low50.5Low43 Ų4386.5 Ų86.544%0.44345%0.446SS..Hα-helixtrans-78.1-34.7-176.600000113.8T397 W398T397-G401 PolarHBondContact O-N 3.49Å; W398-G401 PolarHBondContact O-N 3.12Å
402Y37.7Very low50.2Low138 Ų13882 Ų8254%0.54143%0.429SS..  trans-144.767.2-171.9-55.4-79.3000113W398 S404 L405W398-Y402 PolarHBondContact O-N 3.18Å; Y402-S404 PolarHBondContact O-N 3.48Å; Y402-S404 VanDerWaalsContact O-N 3.09Å; Y402-L405 HydrophobicContact CD1-CD1 4.05Å; Y402-L405 HydrophobicContact CG-CD1 3.95Å; Y402-L405 PolarHBondContact O-N 3.39Å
403P45.8Very low50.2Low86 Ų8679.6 Ų79.656%0.55842%0.417SS*.G310 helixtrans-57.6-30.3-177.3-19.729.5000113.6L405 N406P403-L405 VanDerWaalsContact C-N 3.27Å; P403-L405 PolarHBondContact O-N 2.88Å; P403-N406 PolarHBondContact O-ND2 3.1Å
404S42Very low50Low90 Ų9078.2 Ų78.263%0.62941%0.407SS*.G310 helixtrans-69.9-21.4178.152.80000113.4Y402 H407Y402-S404 PolarHBondContact O-N 3.48Å; Y402-S404 VanDerWaalsContact O-N 3.09Å; S404-H407 PolarHBondContact O-CE1 2.91Å; S404-H407 PolarHBondContact O-ND1 3.46Å
405L45.7Very low50.1Low62 Ų6278.8 Ų78.833%0.32542%0.416SS..G310 helixtrans-93.93.9-175.3-58.7-178.9000113W398 Y402 P403 H407 I408W398-L405 VanDerWaalsContact CH2-C 3.4Å; W398-L405 HydrophobicContact CH2-CB 4.31Å; W398-L405 WeakPolarHBondContact CH2-O 3.37Å; W398-L405 HydrophobicContact CZ2-CB 3.8Å; W398-L405 VanDerWaalsContact CZ2-O 3.28Å; W398-L405 WeakPolarHBondContact CZ2-O 3.08Å; Y402-L405 HydrophobicContact CD1-CD1 4.05Å; Y402-L405 HydrophobicContact CG-CD1 3.95Å; Y402-L405 PolarHBondContact O-N 3.39Å; P403-L405 VanDerWaalsContact C-N 3.27Å; P403-L405 PolarHBondContact O-N 2.88Å; L405-H407 PolarHBondContact O-N 2.57Å; L405-I408 HydrophobicContact CB-CD1 4.01Å; L405-I408 HydrophobicContact CB-CG1 4.43Å; L405-I408 HydrophobicContact CD2-CD1 3.58Å; L405-I408 HydrophobicContact CG-CD1 4.27Å; L405-I408 VanDerWaalsContact O-CB 3.31Å; L405-I408 WeakPolarHBondContact O-CB 3.21Å; L405-I408 WeakPolarHBondContact O-CG1 2.96Å; L405-I408 PolarHBondContact O-N 2.92Å
406N47.7Very low49.7Very low77 Ų7778.7 Ų78.741%0.41242%0.417SS..G310 helixtrans-48.2-27.7-174.3-90.4-22.7000116.1P403 I408P403-N406 PolarHBondContact O-ND2 3.1Å; N406-I408 VanDerWaalsContact C-N 3.29Å; N406-I408 PolarHBondContact O-N 3.38Å
407H51.3Low49.5Very low140 Ų14077.3 Ų77.365%0.64841%0.413SS*.G310 helixtrans-74.1-15.9177.554.4-79000114S404 L405 P410S404-H407 PolarHBondContact O-CE1 2.91Å; S404-H407 PolarHBondContact O-ND1 3.46Å; L405-H407 PolarHBondContact O-N 2.57Å; H407-P410 WeakPolarHBondContact O-CD 3.44Å
408I44.9Very low49.6Very low56 Ų5679.4 Ų79.429%0.28742%0.416SS..G310 helixtrans-91.3-9.9-177.5-46.3179.8000111.3W398 L405 N406 P410 T411 I412W398-I408 HydrophobicContact CH2-CB 4.46Å; W398-I408 HydrophobicContact CZ2-CB 4.23Å; L405-I408 HydrophobicContact CB-CD1 4.01Å; L405-I408 HydrophobicContact CB-CG1 4.43Å; L405-I408 HydrophobicContact CD2-CD1 3.58Å; L405-I408 HydrophobicContact CG-CD1 4.27Å; L405-I408 VanDerWaalsContact O-CB 3.31Å; L405-I408 WeakPolarHBondContact O-CB 3.21Å; L405-I408 WeakPolarHBondContact O-CG1 2.96Å; L405-I408 PolarHBondContact O-N 2.92Å; N406-I408 VanDerWaalsContact C-N 3.29Å; N406-I408 PolarHBondContact O-N 3.38Å; I408-P410 VanDerWaalsContact C-CD 3.41Å; I408-T411 WeakPolarHBondContact O-CA 3.03Å; I408-T411 VanDerWaalsContact O-CB 3.27Å; I408-T411 WeakPolarHBondContact O-CB 3.42Å; I408-T411 PolarHBondContact O-N 2.85Å; I408-I412 HydrophobicContact CG2-CD1 4.22Å; I408-I412 HydrophobicContact CG2-CG1 4.16Å; I408-I412 PolarHBondContact O-N 3.39Å
409W49.1Very low49.7Very low43 Ų4380.5 Ų80.516%0.16342%0.423CS..Hα-helixtrans-54.7-43-178.6-168.8-114.8000113.9Q394 L395 W398 T411 I412 Q413Q394-W409 HydrophobicContact CB-CH2 3.97Å; Q394-W409 HydrophobicContact CB-CZ2 4.45Å; L395-W409 HydrophobicContact CB-CZ2 4.01Å; L395-W409 HydrophobicContact CD1-CD2 3.86Å; L395-W409 HydrophobicContact CD1-CG 4.06Å; L395-W409 HydrophobicContact CD1-CZ2 3.64Å; L395-W409 HydrophobicContact CG-CZ2 4.45Å; W398-W409 HydrophobicContact CB-CE3 4.29Å; W398-W409 HydrophobicContact CB-CH2 4.33Å; W398-W409 HydrophobicContact CB-CZ3 3.64Å; W398-W409 HydrophobicContact CD2-CD2 4.48Å; W398-W409 AromaticContact CD2-CE3 3.37Å; W398-W409 HydrophobicContact CD2-CE3 3.37Å; W398-W409 AromaticContact CD2-CZ3 3.62Å; W398-W409 HydrophobicContact CD2-CZ3 3.62Å; W398-W409 AromaticContact CE2-CE3 3.85Å; W398-W409 HydrophobicContact CE3-CB 4.34Å; W398-W409 AromaticContact CE3-CD2 3.97Å; W398-W409 HydrophobicContact CE3-CD2 3.97Å; W398-W409 AromaticContact CE3-CE3 3.25Å; W398-W409 HydrophobicContact CE3-CE3 3.25Å; W398-W409 HydrophobicContact CE3-CG 4.43Å; W398-W409 AromaticContact CE3-CZ3 3.83Å; W398-W409 HydrophobicContact CE3-CZ3 3.83Å; W398-W409 AromaticContact CG-CE3 3.87Å; W398-W409 HydrophobicContact CG-CE3 3.87Å; W398-W409 AromaticContact CG-CZ3 3.56Å; W398-W409 HydrophobicContact CG-CZ3 3.56Å; W398-W409 HydrophobicContact CH2-CB 3.56Å; W398-W409 HydrophobicContact CH2-CD2 4.5Å; W398-W409 AromaticContact CH2-CE3 3.97Å; W398-W409 HydrophobicContact CH2-CE3 3.97Å; W398-W409 HydrophobicContact CH2-CG 4.4Å; W398-W409 HydrophobicContact CZ2-CE3 4.14Å; W398-W409 HydrophobicContact CZ3-CB 3.47Å; W398-W409 VanDerWaalsContact CZ3-CB 3.47Å; W398-W409 AromaticContact CZ3-CD2 3.99Å; W398-W409 HydrophobicContact CZ3-CD2 3.99Å; W398-W409 AromaticContact CZ3-CE3 3.57Å; W398-W409 HydrophobicContact CZ3-CE3 3.57Å; W398-W409 AromaticContact CZ3-CG 3.99Å; W398-W409 HydrophobicContact CZ3-CG 3.99Å; W409-T411 PolarHBondContact O-N 3Å; W409-I412 PolarHBondContact O-N 3.03Å; W409-Q413 PolarHBondContact O-N 2.96Å
410P47.3Very low49.4Very low88 Ų8880.4 Ų80.457%0.57143%0.425SS*.Hα-helixtrans-64.7-30.1176.3-18.834000112.3H407 I408H407-P410 WeakPolarHBondContact O-CD 3.44Å; I408-P410 VanDerWaalsContact C-CD 3.41Å
411T50.1Low49Very low57 Ų5776.7 Ų76.735%0.3541%0.413SS..Hα-helixtrans-75.4-31.7179.1-420000112.1I408 W409 Q413 M414 L419I408-T411 WeakPolarHBondContact O-CA 3.03Å; I408-T411 VanDerWaalsContact O-CB 3.27Å; I408-T411 WeakPolarHBondContact O-CB 3.42Å; I408-T411 PolarHBondContact O-N 2.85Å; W409-T411 PolarHBondContact O-N 3Å; T411-Q413 VanDerWaalsContact C-N 3.29Å; T411-Q413 PolarHBondContact O-N 3.31Å; T411-M414 HydrophobicContact CG2-SD 4.11Å; T411-M414 WeakPolarHBondContact O-CB 3.47Å; T411-M414 PolarHBondContact O-N 3.35Å; T411-L419 HydrophobicContact CG2-CD1 4.01Å
412I45.9Very low49.6Very low57 Ų5779.2 Ų79.229%0.29241%0.413SS..Hα-helixtrans-73.3-21.7177.2-66.5166.5000112.1W398 I408 W409 M414W398-I412 HydrophobicContact CH2-CD1 4.43Å; W398-I412 HydrophobicContact CZ2-CD1 3.45Å; W398-I412 VanDerWaalsContact CZ2-CD1 3.45Å; I408-I412 HydrophobicContact CG2-CD1 4.22Å; I408-I412 HydrophobicContact CG2-CG1 4.16Å; I408-I412 PolarHBondContact O-N 3.39Å; W409-I412 PolarHBondContact O-N 3.03Å; I412-M414 PolarHBondContact O-N 3.14Å
413Q49.4Very low50.2Low103 Ų10375.8 Ų75.848%0.48140%0.404SS..THydrogen-bonded Turntrans-78-6.7172.1-72.8-167-15.300113.7W409 T411W409-Q413 PolarHBondContact O-N 2.96Å; T411-Q413 VanDerWaalsContact C-N 3.29Å; T411-Q413 PolarHBondContact O-N 3.31Å
414M52.2Low50.5Low30 Ų3077.4 Ų77.415%0.14840%0.402CS..SBendtrans-67.4135.1174.9-74.2168.260.500110T411 I412 K418 E422T411-M414 HydrophobicContact CG2-SD 4.11Å; T411-M414 WeakPolarHBondContact O-CB 3.47Å; T411-M414 PolarHBondContact O-N 3.35Å; I412-M414 PolarHBondContact O-N 3.14Å; M414-K418 HydrophobicContact CB-CB 4.39Å; M414-K418 HydrophobicContact CE-CB 4.18Å; M414-K418 HydrophobicContact CE-CD 4.18Å; M414-K418 HydrophobicContact CE-CG 3.82Å; M414-K418 WeakPolarHBondContact CE-O 3.28Å; M414-K418 HydrophobicContact CG-CD 4.34Å; M414-E422 HydrophobicContact CE-CB 4.11Å; M414-E422 VanDerWaalsContact CE-CD 3.4Å; M414-E422 HydrophobicContact CE-CG 3.72Å
415P52.7Low51.7Low68 Ų6877.9 Ų77.944%0.44240%0.397SS..  trans-48.9141.9165.4-24.833.2000110.2E417 K418 L419P415-E417 PolarHBondContact O-N 2.85Å; P415-K418 HydrophobicContact CB-CB 4.22Å; P415-K418 HydrophobicContact CG-CB 4.39Å; P415-K418 WeakPolarHBondContact O-CA 3.36Å; P415-K418 WeakPolarHBondContact O-CB 3.33Å; P415-K418 PolarHBondContact O-N 3.47Å; P415-L419 PolarHBondContact O-N 3.44Å
416T46.8Very low52.1Low54 Ų5479.7 Ų79.733%0.33141%0.407SS..Hα-helixtrans-53.9-39.4-176.1-50.40000111.5L419 L420T416-L419 PolarHBondContact O-N 3.31Å; T416-L420 HydrophobicContact CG2-CD1 4.1Å; T416-L420 WeakPolarHBondContact O-CB 3.42Å; T416-L420 PolarHBondContact O-N 2.81Å
417E51.5Low52Low90 Ų9080 Ų8042%0.42140%0.403SS..Hα-helixtrans-65.6-36.6174.6-70.6-157.3-167.400113.2P415 L420 N421 D670P415-E417 PolarHBondContact O-N 2.85Å; E417-L420 PolarHBondContact O-N 2.69Å; E417-N421 VanDerWaalsContact O-CB 3.31Å; E417-N421 WeakPolarHBondContact O-CB 3.34Å; E417-N421 PolarHBondContact O-N 3.46Å; E417-D670 VanDerWaalsContact CB-CG 3.48Å; E417-D670 WeakPolarHBondContact CB-OD1 3.45Å; E417-D670 WeakPolarHBondContact CB-OD2 3.26Å; E417-D670 WeakPolarHBondContact CG-OD1 3.32Å
418K59.2Low51.7Low114 Ų11476.1 Ų76.150%0.49639%0.391SS..Hα-helixtrans-68.2-38.4175.5-158.6-177.4-179.8178.70111.9M414 P415 N421 E422M414-K418 HydrophobicContact CB-CB 4.39Å; M414-K418 HydrophobicContact CE-CB 4.18Å; M414-K418 HydrophobicContact CE-CD 4.18Å; M414-K418 HydrophobicContact CE-CG 3.82Å; M414-K418 WeakPolarHBondContact CE-O 3.28Å; M414-K418 HydrophobicContact CG-CD 4.34Å; P415-K418 HydrophobicContact CB-CB 4.22Å; P415-K418 HydrophobicContact CG-CB 4.39Å; P415-K418 WeakPolarHBondContact O-CA 3.36Å; P415-K418 WeakPolarHBondContact O-CB 3.33Å; P415-K418 PolarHBondContact O-N 3.47Å; K418-N421 PolarHBondContact O-N 3.01Å; K418-E422 PolarHBondContact O-N 2.83Å
419L51.8Low51.8Low49 Ų4979.7 Ų79.726%0.25741%0.407SS..Hα-helixtrans-65.2-45.1173.2-175.973.1000110.9T411 P415 T416 N421 E422 L423T411-L419 HydrophobicContact CG2-CD1 4.01Å; P415-L419 PolarHBondContact O-N 3.44Å; T416-L419 PolarHBondContact O-N 3.31Å; L419-N421 VanDerWaalsContact C-N 3.34Å; L419-N421 PolarHBondContact O-N 3.22Å; L419-E422 PolarHBondContact O-N 3.35Å; L419-L423 HydrophobicContact CG-CD1 4.18Å; L419-L423 WeakPolarHBondContact O-CB 3.12Å; L419-L423 VanDerWaalsContact O-CG 3.26Å; L419-L423 WeakPolarHBondContact O-CG 3.31Å; L419-L423 PolarHBondContact O-N 3.26Å
420L49.4Very low51.7Low85 Ų8584.1 Ų84.145%0.44543%0.427SS..Hα-helixtrans-62.6-38.7175.1-99.5142.1000112.2T416 E417 K424T416-L420 HydrophobicContact CG2-CD1 4.1Å; T416-L420 WeakPolarHBondContact O-CB 3.42Å; T416-L420 PolarHBondContact O-N 2.81Å; E417-L420 PolarHBondContact O-N 2.69Å; L420-K424 VanDerWaalsContact O-CB 3.29Å; L420-K424 WeakPolarHBondContact O-CB 3.29Å; L420-K424 VanDerWaalsContact O-CG 3.23Å; L420-K424 WeakPolarHBondContact O-CG 3.45Å; L420-K424 PolarHBondContact O-N 2.84Å
421N59.4Low51.5Low81 Ų8184.1 Ų84.143%0.43342%0.421SS..Hα-helixtrans-70.5-40.2175.6-94.8-13.1000112.5E417 K418 L419 L423 K424 N425E417-N421 VanDerWaalsContact O-CB 3.31Å; E417-N421 WeakPolarHBondContact O-CB 3.34Å; E417-N421 PolarHBondContact O-N 3.46Å; K418-N421 PolarHBondContact O-N 3.01Å; L419-N421 VanDerWaalsContact C-N 3.34Å; L419-N421 PolarHBondContact O-N 3.22Å; N421-L423 VanDerWaalsContact C-N 3.35Å; N421-K424 PolarHBondContact O-N 2.89Å; N421-N425 WeakPolarHBondContact O-CB 3.49Å; N421-N425 VanDerWaalsContact O-CG 3.22Å; N421-N425 PolarHBondContact O-N 3.25Å; N421-N425 PolarHBondContact O-ND2 3.25Å
422E61.5Low51.1Low96 Ų9686.7 Ų86.745%0.44943%0.433SS..Hα-helixtrans-65.7-39.3173.4-80.2-158.2-169.400111.9M414 K418 L419 N425 L426M414-E422 HydrophobicContact CE-CB 4.11Å; M414-E422 VanDerWaalsContact CE-CD 3.4Å; M414-E422 HydrophobicContact CE-CG 3.72Å; K418-E422 PolarHBondContact O-N 2.83Å; L419-E422 PolarHBondContact O-N 3.35Å; E422-N425 PolarHBondContact O-N 3.31Å; E422-L426 WeakPolarHBondContact O-CB 3.13Å; E422-L426 WeakPolarHBondContact O-CG 3.32Å; E422-L426 PolarHBondContact O-N 2.96Å
423L50Low50.9Low65 Ų6589.4 Ų89.434%0.3445%0.448SS..Hα-helixtrans-64.6-40.9173.2-72.8171.8000111.9L419 N421 Y427L419-L423 HydrophobicContact CG-CD1 4.18Å; L419-L423 WeakPolarHBondContact O-CB 3.12Å; L419-L423 VanDerWaalsContact O-CG 3.26Å; L419-L423 WeakPolarHBondContact O-CG 3.31Å; L419-L423 PolarHBondContact O-N 3.26Å; N421-L423 VanDerWaalsContact C-N 3.35Å; L423-Y427 WeakPolarHBondContact O-CB 3.26Å; L423-Y427 PolarHBondContact O-N 3.47Å
424K53.6Low50.4Low121 Ų12191.5 Ų91.553%0.52646%0.458SS..Hα-helixtrans-63.9-40.4173.6-80.8174.6179.8175.70111.9L420 N421 Y427 S428L420-K424 VanDerWaalsContact O-CB 3.29Å; L420-K424 WeakPolarHBondContact O-CB 3.29Å; L420-K424 VanDerWaalsContact O-CG 3.23Å; L420-K424 WeakPolarHBondContact O-CG 3.45Å; L420-K424 PolarHBondContact O-N 2.84Å; N421-K424 PolarHBondContact O-N 2.89Å; K424-Y427 PolarHBondContact O-N 2.97Å; K424-S428 VanDerWaalsContact O-CB 3.26Å; K424-S428 WeakPolarHBondContact O-CB 3.46Å; K424-S428 PolarHBondContact O-N 3.36Å; K424-S428 PolarHBondContact O-OG 3.45Å
425N65.4Low49.7Very low99 Ų9996.5 Ų96.553%0.52948%0.484SS..Hα-helixtrans-68.6-44.6178-74.8-16.2000111.3N421 E422 Y427 S428 E429N421-N425 WeakPolarHBondContact O-CB 3.49Å; N421-N425 VanDerWaalsContact O-CG 3.22Å; N421-N425 PolarHBondContact O-N 3.25Å; N421-N425 PolarHBondContact O-ND2 3.25Å; E422-N425 PolarHBondContact O-N 3.31Å; N425-Y427 VanDerWaalsContact C-N 3.29Å; N425-Y427 PolarHBondContact O-N 2.79Å; N425-S428 PolarHBondContact O-N 2.96Å; N425-E429 WeakPolarHBondContact O-CB 3.18Å; N425-E429 PolarHBondContact O-N 3.32Å
426L55.1Low48.7Very low101 Ų10197.4 Ų97.453%0.52949%0.492SS..Hα-helixtrans-58.6-39.7174.1-86.6159.1000112.4E422 K430E422-L426 WeakPolarHBondContact O-CB 3.13Å; E422-L426 WeakPolarHBondContact O-CG 3.32Å; E422-L426 PolarHBondContact O-N 2.96Å; L426-K430 PolarHBondContact O-N 3.27Å
427Y44.7Very low47.9Very low84 Ų8499.8 Ų99.833%0.32951%0.506SS..Hα-helixtrans-76.6-34176.1-102.2-91000113.1T369 L373 L423 K424 N425 K430 I431T369-Y427 WeakPolarHBondContact CG2-OH 3.33Å; L373-Y427 HydrophobicContact CD1-CE2 4.42Å; L423-Y427 WeakPolarHBondContact O-CB 3.26Å; L423-Y427 PolarHBondContact O-N 3.47Å; K424-Y427 PolarHBondContact O-N 2.97Å; N425-Y427 VanDerWaalsContact C-N 3.29Å; N425-Y427 PolarHBondContact O-N 2.79Å; Y427-K430 PolarHBondContact O-N 3.49Å; Y427-I431 HydrophobicContact CD1-CD1 4.36Å; Y427-I431 WeakPolarHBondContact O-CB 3.16Å; Y427-I431 VanDerWaalsContact O-CG1 3.22Å; Y427-I431 WeakPolarHBondContact O-CG1 3.02Å; Y427-I431 PolarHBondContact O-N 3.29Å
428S45.8Very low46.9Very low57 Ų57101.6 Ų101.640%0.39952%0.524SS..Hα-helixtrans-68.8-36.2175.8-590000111.6K424 N425 N432K424-S428 VanDerWaalsContact O-CB 3.26Å; K424-S428 WeakPolarHBondContact O-CB 3.46Å; K424-S428 PolarHBondContact O-N 3.36Å; K424-S428 PolarHBondContact O-OG 3.45Å; N425-S428 PolarHBondContact O-N 2.96Å; S428-N432 VanDerWaalsContact O-CB 3.28Å; S428-N432 WeakPolarHBondContact O-CB 3.48Å; S428-N432 VanDerWaalsContact O-CG 3.28Å; S428-N432 PolarHBondContact O-N 2.99Å; S428-N432 PolarHBondContact O-ND2 3.29Å
429E47.9Very low45.4Very low132 Ų132104.4 Ų104.462%0.61754%0.544SS*.Hα-helixtrans-68.2-35.1172-77.5-173.516000112.4N425 N433N425-E429 WeakPolarHBondContact O-CB 3.18Å; N425-E429 PolarHBondContact O-N 3.32Å; E429-N433 VanDerWaalsContact O-CB 3.27Å; E429-N433 WeakPolarHBondContact O-CB 3.22Å; E429-N433 VanDerWaalsContact O-CG 3.25Å; E429-N433 PolarHBondContact O-N 2.87Å; E429-N433 VanDerWaalsContact O-N 3.13Å; E429-N433 PolarHBondContact O-ND2 3.13Å
430K46.5Very low44.5Very low136 Ų136111 Ų11159%0.59157%0.574SS**Hα-helixtrans-71.5-42.7173.7-89.9-173.5171.2-174.50113L426 Y427 N433 E434L426-K430 PolarHBondContact O-N 3.27Å; Y427-K430 PolarHBondContact O-N 3.49Å; K430-N433 PolarHBondContact O-N 3.13Å; K430-E434 WeakPolarHBondContact O-CB 3.22Å; K430-E434 WeakPolarHBondContact O-CG 3.4Å; K430-E434 PolarHBondContact O-N 2.97Å
431I42.2Very low43.6Very low87 Ų87114.5 Ų114.545%0.44659%0.592SS.*Hα-helixtrans-68.2-37.2179.5-68.2166.7000111Y427 I435Y427-I431 HydrophobicContact CD1-CD1 4.36Å; Y427-I431 WeakPolarHBondContact O-CB 3.16Å; Y427-I431 VanDerWaalsContact O-CG1 3.22Å; Y427-I431 WeakPolarHBondContact O-CG1 3.02Å; Y427-I431 PolarHBondContact O-N 3.29Å; I431-I435 HydrophobicContact CG2-CD1 3.76Å; I431-I435 WeakPolarHBondContact O-CD1 3.37Å; I431-I435 VanDerWaalsContact O-CG1 3.27Å; I431-I435 WeakPolarHBondContact O-CG1 3.43Å; I431-I435 PolarHBondContact O-N 3.23Å
432N42.8Very low42.2Very low111 Ų111117 Ų11759%0.59461%0.605SS**Hα-helixtrans-75.9-25.2176.5-71.3-29000113.4S428S428-N432 VanDerWaalsContact O-CB 3.28Å; S428-N432 WeakPolarHBondContact O-CB 3.48Å; S428-N432 VanDerWaalsContact O-CG 3.28Å; S428-N432 PolarHBondContact O-N 2.99Å; S428-N432 PolarHBondContact O-ND2 3.29Å
433N40.9Very low40.9Very low115 Ų115118.7 Ų118.762%0.61562%0.618SS**Hα-helixtrans-81.6-24.3173.1-76.5-30000113E429 K430 S436E429-N433 VanDerWaalsContact O-CB 3.27Å; E429-N433 WeakPolarHBondContact O-CB 3.22Å; E429-N433 VanDerWaalsContact O-CG 3.25Å; E429-N433 PolarHBondContact O-N 2.87Å; E429-N433 VanDerWaalsContact O-N 3.13Å; E429-N433 PolarHBondContact O-ND2 3.13Å; K430-N433 PolarHBondContact O-N 3.13Å; N433-S436 PolarHBondContact O-OG 3.43Å
434E39.8Very low40Very low146 Ų146122 Ų12268%0.68264%0.636SS**Hα-helixtrans-87.4-11.6176.6-74.7177.4176.400114K430K430-E434 WeakPolarHBondContact O-CB 3.22Å; K430-E434 WeakPolarHBondContact O-CG 3.4Å; K430-E434 PolarHBondContact O-N 2.97Å
435I36.7Very low38.9Very low136 Ų136124.1 Ų124.170%0.69765%0.652SS**SBendtrans-91.6-0.1175.6-66168.3000112.6I431I431-I435 HydrophobicContact CG2-CD1 3.76Å; I431-I435 WeakPolarHBondContact O-CD1 3.37Å; I431-I435 VanDerWaalsContact O-CG1 3.27Å; I431-I435 WeakPolarHBondContact O-CG1 3.43Å; I431-I435 PolarHBondContact O-N 3.23Å
436S31.9Very low37Very low87 Ų87127.9 Ų127.961%0.60867%0.666SS**SBendtrans-107.67.4178.968.20000115.2N433N433-S436 PolarHBondContact O-OG 3.43Å
437V30.6Very low35.8Very low103 Ų103131.3 Ų131.362%0.62468%0.683SS**SBendtrans-144.484.8-177.5-173.30000109.3
438T30.3Very low35Very low129 Ų129131.1 Ų131.179%0.79171%0.707SS**  trans161.880.6147.952.60000109.5
439D28.2Very low34.2Very low173 Ų173132.1 Ų132.193%0.92573%0.726SS**  trans-150.666.9153-94-21000105.7
440E31Very low33.3Very low187 Ų187132.8 Ų132.887%0.87473%0.734SS**  trans-126.8145.7162-78.4-174.9167.200106
441L31.9Very low32.3Very low158 Ų158132.9 Ų132.983%0.82774%0.74SS**  trans101.273.8-168.8-55.1173.7000112.2
442D30.2Very low31.6Very low134 Ų134133.5 Ų133.572%0.71775%0.752SS**  79.6105.481.8-77.4-15.9000112.2
443D32.4Very low30.8Very low132 Ų132140 Ų14071%0.70677%0.768SS**  151.5115.3109-83.3-22000112.3
444D32.2Very low30.2Very low135 Ų135140.4 Ų140.472%0.72278%0.777SS**  trans79.1114.3131-69.4-15.7000122.3
445L30.3Very low29.6Very low164 Ų164143.3 Ų143.386%0.85979%0.788SS**  trans114.8102.9131.4-71.6156.7000118
446E25Very low29.1Very low179 Ų179148.6 Ų148.684%0.83680%0.799SS**  trans-50.3156.9167.8-59.3174.4143.600115.7
447I30.6Very low28.9Very low173 Ų173150.7 Ų150.789%0.88781%0.811SS**  trans159.9107.8135.6-75150.2000103.3
448G28.2Very low28.9Very low80 Ų80149.6 Ų149.683%0.82582%0.82SS**  cis119.6122.44000000107.3
449G29Very low28.7Very low78 Ų78151.8 Ų151.880%0.80483%0.826SS**  trans14058.7166.300000119.5
450D27.9Very low28.9Very low146 Ų146152.6 Ų152.678%0.78182%0.821SS**  50.1134.2123.8-104.5-6.7000125.4
451L26.9Very low28.7Very low137 Ų137150.1 Ų150.172%0.71781%0.814SS**  trans81.397.2139.4-63.2159.5000119.2
452S26.9Very low28.5Very low100 Ų100148.5 Ų148.570%0.69981%0.806SS**  86122.581.575.70000115.7
453W25.1Very low28.6Very low248 Ų248150 Ų15094%0.93981%0.806SS**  trans-68.8167.2-177.6-67.772.5000115
454P30.1Very low28.2Very low124 Ų124153.2 Ų153.281%0.80581%0.814SS**  trans-131.1152.9139.934-19.7000115.7
455K26.1Very low28Very low206 Ų206155.1 Ų155.190%0.89682%0.823SS**  trans-70.6157.2-178.5-67.6171174176.10114.3
456R26.1Very low27.7Very low248 Ų248154.4 Ų154.494%0.93682%0.82SS**  trans-67.3153.8166.5-85.9-172.9-175.9-163.82113.1
457P28.5Very low28Very low131 Ų131149.8 Ų149.885%0.85182%0.819SS**  trans-146.4153134.932.9-15.2000116.3
458G29.8Very low27.8Very low80 Ų80151 Ų15183%0.82582%0.818SS**  trans113.8105.5135.400000120.1
459L26.6Very low27.9Very low174 Ų174150.7 Ų150.791%0.91182%0.815SS**  trans-72.4147.3154-106.986.1000110.7
460K31.1Very low28.1Very low191 Ų191153.6 Ų153.683%0.8382%0.82SS**  trans-176.1120.4139.4-103.5174.8-174.8-1730113
461D27.9Very low28Very low134 Ų134150.3 Ų150.372%0.71782%0.821SS**  trans45.6135.1135.5-54.2-29.2000124
462D28.3Very low28.3Very low124 Ų124149 Ų14966%0.66383%0.829SS**  trans100.3114.9133.1-91.5-4000121.7
463K30.6Very low28.2Very low167 Ų167152.9 Ų152.973%0.72684%0.836SS**  trans87.6106.7133.8-70.5168.9179.3133.60120.5
464K25Very low28.6Very low199 Ų199149 Ų14987%0.86583%0.834SS**  35.5118.7127.1-71.9-178.5176.3177.80117.6
465L27.7Very low28.3Very low175 Ų175151.5 Ų151.592%0.91684%0.835SS**  -169.1141.8116.4-102.9149.9000113.2
466L25Very low28.5Very low149 Ų149147.4 Ų147.478%0.7883%0.832SS**  trans-54.8149179.6-95.469000114.8
467G30Very low28.4Very low81 Ų81143.2 Ų143.284%0.83583%0.828SS**  trans-156.592.715800000111.1
468K28Very low28.3Very low199 Ų199140.6 Ų140.687%0.86582%0.824SS**  trans-70.3153.6175.7-69178.6172.9-178.40112
469G28.4Very low27.9Very low73 Ų73142.4 Ų142.475%0.75382%0.82SS**  trans178.9133.215100000113.5
470P33.5Very low27.8Very low140 Ų140143.3 Ų143.391%0.90982%0.817SS**  trans-125.7178.4-143.736.9-18.2000115.6
471G26.8Very low27.5Very low77 Ų77140.5 Ų140.579%0.79481%0.811SS**  trans117.7115.4146.500000116.6
472A32.6Very low27.2Very low108 Ų108143.4 Ų143.489%0.89382%0.817SS**  171.213190.100000110.2
473E26.2Very low27Very low182 Ų182144.8 Ų144.885%0.8582%0.824SS**  trans-74.1155179.5-63.9154.4175.300111.4
474D31.9Very low26.6Very low168 Ų168142.7 Ų142.790%0.89882%0.821SS**  -161.7119.9123.2-107.7-17.9000111.1
475E24.9Very low26.7Very low175 Ų175143.2 Ų143.282%0.81882%0.823SS**  trans-78.7141.9165.7-64.7-179.9146.800109.5
476S29.7Very low26.5Very low121 Ų121139.9 Ų139.985%0.84681%0.811SS**  trans-146.89514870.50000110.3
477L24.2Very low26.6Very low159 Ų159141.1 Ų141.183%0.83281%0.809SS**  trans-62.2132.4158-82.8154.3000109.5
478G25.6Very low26.4Very low76 Ų76145.4 Ų145.478%0.78481%0.807SS**  trans-13578.9171.500000110.3
479T22.6Very low26.4Very low119 Ų119139.7 Ų139.773%0.7381%0.805SS**  trans-77.9126.9164.9-34.70000108.3
480F24.4Very low26.2Very low192 Ų192141.1 Ų141.184%0.84280%0.804SS**  trans-142100.1164.3-108.8-84000112.7
481N23.4Very low26Very low133 Ų133141.8 Ų141.871%0.71179%0.794SS**  trans54.8112.2133.7-67.8-14.9000123.1
482F22.4Very low26.1Very low194 Ų194145.4 Ų145.485%0.85179%0.791SS**  trans-31.9135.2132.1-88.9-105.7000114.2
483L23.8Very low25.7Very low153 Ų153145.9 Ų145.980%0.80178%0.777SS**  -177.6121122.3-114.2116.1000112.2
484N22.9Very low25.7Very low124 Ų124144.6 Ų144.666%0.66377%0.771SS**  trans29.9125.4142.7-63.5-24.8000120.7
485F26.7Very low25.4Very low210 Ų210142.3 Ų142.392%0.92176%0.759SS**  -151.4110120.6-110.5-79.2000111.6
486T24.2Very low25.4Very low105 Ų105140 Ų14064%0.64475%0.752SS**  trans-59.5143.5162.8480000112
487K25.7Very low25.3Very low174 Ų174140 Ų14076%0.75775%0.747SS**  166.7133.4111.1-99.3178169.7-174.40115.4
488H26.6Very low25.3Very low171 Ų171138.7 Ų138.779%0.79274%0.74SS**  trans77.2125.1144.8-68.4-58000121.3
489G27.4Very low25.2Very low79 Ų79141.4 Ų141.481%0.81474%0.737SS**  trans16059.7161.400000113.9
490S25.5Very low25.3Very low104 Ų104142 Ų14273%0.72774%0.741SS**  trans-53.7148.4174.144.40000115.4
491E29.5Very low25.3Very low153 Ų153137.9 Ų137.972%0.71574%0.735SS**  168.5109.8109.9-87.7-174.716300109
492Q28.5Very low25.2Very low154 Ų154140.2 Ų140.272%0.7274%0.74SS**  90.6139.799.4-77.1-175.426.600112.2
493I24.7Very low25.3Very low117 Ų117137 Ų13760%0.673%0.732SS**  cis170.4144.1-14.3-116.1178.4000102.9
494E24.7Very low25.4Very low156 Ų156137.8 Ų137.873%0.72973%0.731SS**  trans67.1139.6154.1-74.7160.7-164.500117.7
495D27Very low25.5Very low119 Ų119138.2 Ų138.264%0.63673%0.732SS**  cis-170.814332.9-115.8-14.1000112.2
496L24.3Very low25.3Very low128 Ų128136.8 Ų136.867%0.6773%0.725SS**  trans69.1102132.9-62.1162.2000121.6
497T26.8Very low25.3Very low121 Ų121138.3 Ų138.374%0.74273%0.729SS**  -31.3129125.348.30000112.8
498N25.4Very low25.2Very low131 Ų131139.8 Ų139.870%0.70174%0.736SS**  trans175.8121.1139.3-89.6-28.9000113.4
499N23.5Very low25Very low132 Ų132140.8 Ų140.871%0.70673%0.734SS**  60.1140.5129.5-69.5-28.2000123
500T24.4Very low24.9Very low133 Ų133143.1 Ų143.182%0.81674%0.735SS**  trans72.3138.2147.949.30000117.5
501S24.5Very low24.8Very low104 Ų104144.5 Ų144.573%0.72773%0.734SS**  cis-176.4144.1-0.345.70000107.8
502F21.3Very low24.8Very low182 Ų182142 Ų14280%0.79873%0.73SS**  trans33.1127141.1-103.2-110.5000121.7
503N23.2Very low24.4Very low128 Ų128146 Ų14668%0.68474%0.739SS**  trans70.6120.9150.1-63.7-14.7000117.8
504E27.1Very low24.3Very low168 Ų168147.7 Ų147.779%0.78575%0.748SS**  -179130.794.1-97.1-173.5173.100113.3
505I23.9Very low24.2Very low133 Ų133145.7 Ų145.768%0.68275%0.747SS**  trans82.690.3142.3-57.2161.1000115.9
506K23.2Very low23.8Very low181 Ų181144 Ų14479%0.78775%0.745SS**  75.7127.681.4-87.6-178.8172.7173.40114.2
507N24.2Very low23.8Very low136 Ų136144.1 Ų144.173%0.72775%0.753SS**  trans93.486158.1-51.5-23.4000115.7
508F23.6Very low23.5Very low206 Ų206143.9 Ų143.990%0.90475%0.746SS**  -17392.6112.2-101.1-76.9000108.8
509Y22.1Very low23.4Very low192 Ų192145.4 Ų145.475%0.75374%0.743SS**  trans-105.1150.3152.6-99.2-86.2000106.3L511Y509-L511 HydrophobicContact CD1-CD1 3.68Å; Y509-L511 HydrophobicContact CD1-CG 4.35Å; Y509-L511 HydrophobicContact CD2-CD1 4.29Å; Y509-L511 HydrophobicContact CE1-CD1 4.16Å; Y509-L511 HydrophobicContact CG-CD1 3.74Å
510P25.8Very low23.3Very low128 Ų128145.7 Ų145.783%0.83175%0.745SS**  -109.2130.2113.1-10.227.4000111
511L23.4Very low23.1Very low133 Ų133150.1 Ų150.170%0.69675%0.748SS**  trans-72.8-176.6177.7-125.599000110.9Y509Y509-L511 HydrophobicContact CD1-CD1 3.68Å; Y509-L511 HydrophobicContact CD1-CG 4.35Å; Y509-L511 HydrophobicContact CD2-CD1 4.29Å; Y509-L511 HydrophobicContact CE1-CD1 4.16Å; Y509-L511 HydrophobicContact CG-CD1 3.74Å
512P28.6Very low23.1Very low99 Ų99151.7 Ų151.764%0.64375%0.753SS**  trans-110.6163.5-135.1205.7000111.4
513R21Very low23.3Very low238 Ų238148.3 Ų148.390%0.89875%0.747SS**  trans178.9154.3156.2-101.7151.6-170.7-149.73.3109.1
514L22.5Very low23.3Very low153 Ų153150.9 Ų150.980%0.80176%0.758SS**  trans89.579.7174.6-61.3125.1000114
515T21.8Very low23.1Very low114 Ų114150.3 Ų150.370%0.69976%0.76SS**  58.4113.484.667.40000112.3
516S19.6Very low23.4Very low85 Ų85152.6 Ų152.659%0.59477%0.768SS**  trans16131.9148.7-160.80000117.3I518S516-I518 PolarHBondContact O-N 3.23Å
517P23.4Very low23.6Very low129 Ų129154.3 Ų154.384%0.83878%0.776SS**  trans-69.192.5150.53.214.8000106.5
518I21.7Very low23.6Very low116 Ų116157.3 Ų157.360%0.59578%0.782SS**  trans-60.7131.4160.9-71.7168.6000106.4S516 D520S516-I518 PolarHBondContact O-N 3.23Å; I518-D520 PolarHBondContact O-N 2.83Å
519Y22Very low23.8Very low164 Ų164156.9 Ų156.964%0.64378%0.78SS**  trans-54.2114.2162.9-75.2-98.5000108.6
520D21.4Very low24.2Very low138 Ų138156.6 Ų156.674%0.73879%0.785SS**  trans-135.9111.4166.3-88.7-32.6000110.5I518I518-D520 PolarHBondContact O-N 2.83Å
521Y21.2Very low24.3Very low225 Ų225156.1 Ų156.188%0.88278%0.78SS**  trans-56.8124.5163.5-97.1-110.3000109.9
522V24.3Very low24.5Very low137 Ų137155.8 Ų155.883%0.8378%0.779SS**  trans-137.8125.3159.5-174.80000110.1
523T24.5Very low24.7Very low111 Ų111157.8 Ų157.868%0.68178%0.784SS**  trans-86.9125.9-167.840.90000114.5D525T523-D525 PolarHBondContact O-N 3.47Å
524M23.2Very low25.2Very low183 Ų183152.9 Ų152.990%0.90178%0.776SS**SBendtrans29.20.9140.6-78.8-62.4-66.300126.1
525D24.7Very low25.6Very low155 Ų155152.6 Ų152.683%0.82978%0.775SS**  trans-106.96.1-165.3-93.3-23.8000119.3T523T523-D525 PolarHBondContact O-N 3.47Å
526E29.8Very low26Very low182 Ų182154.9 Ų154.985%0.8578%0.783SS**SBendtrans-122.54.7-167.4-88.8175.116200119.9
527F26.3Very low26.5Very low217 Ų217155.5 Ų155.595%0.95279%0.785SS**  trans-13244.8178.6-112.2-94.8000115.8
528K24.1Very low26.7Very low199 Ų199156.4 Ų156.487%0.86578%0.783SS**  trans-99.5107.1154.7-87.7179177.1169.60109.3
529K29Very low26.9Very low196 Ų196158.2 Ų158.285%0.85279%0.792SS**  trans166.3136.7141.4-93.6159.3-175.1178.10111.3
530Q29Very low27.3Very low186 Ų186157.4 Ų157.487%0.86980%0.797SS**  trans92.582.2174.4-55.5-176.62.200113.7
531V28.2Very low27.5Very low118 Ų118159.8 Ų159.872%0.71580%0.801SS**  cis75.110448.2-1760000113.3
532D28.6Very low27.8Very low127 Ų127158.4 Ų158.468%0.67980%0.799SS**  trans57.1119.2137.4-50.1-13.8000120.7
533N31.4Very low28.1Very low141 Ų141158.9 Ų158.975%0.75480%0.797SS**  165.513898-85.5-56.8000113.5
534N31.7Very low28.5Very low134 Ų134159.7 Ų159.772%0.71780%0.798SS**  trans85.996.4147.7-62.3-16.2000121.5
535D31.1Very low29.1Very low147 Ų147157 Ų15779%0.78679%0.787SS**  42.7111105.5-59.7-17.1000120.2
536N30.5Very low29.6Very low162 Ų162156 Ų15687%0.86678%0.782SS**  -169.4135107.1-139.1-9.1000111.7
537P29.5Very low29.6Very low98 Ų98154.5 Ų154.564%0.63678%0.775SS**  trans-100.2144-174.235.6-24.9000112.9
538N27.9Very low29.8Very low148 Ų148150.9 Ų150.979%0.79176%0.761SS**  trans158.6128.4137.5-84.7-40.7000108.5
539I27.5Very low30.1Very low155 Ų155146.8 Ų146.880%0.79575%0.748SS**  trans135.2121.5154.8-68.2155.9000111.8
540I28.6Very low30.2Very low147 Ų147140.5 Ų140.575%0.75472%0.723SS**  trans92.793.2168-57.4147.7000115.3
541K27.4Very low30.2Very low188 Ų188136.5 Ų136.582%0.81770%0.704SS**  68.9102.684-70.8179.7178179.20113.4
542K26.6Very low30.4Very low195 Ų195136.3 Ų136.385%0.84870%0.697SS**  69.4129110.8-79.3-170.6175-1740115.4
543D30Very low30.4Very low147 Ų147138.1 Ų138.179%0.78670%0.695SS**  trans80.595.9172.5-59.8-25.5000117.4
544N33.8Very low30.3Very low129 Ų129137.2 Ų137.269%0.6968%0.68SS**  trans-160.1-11.8155.7-96.4-16.8000116.2N546N544-N546 PolarHBondContact O-N 3.04Å
545N34.6Very low30.2Very low127 Ų127133 Ų13368%0.67966%0.657SS**Hα-helixtrans-79-4.5-175.7-75.83.3000116.7N549N545-N549 PolarHBondContact O-ND2 3.42Å
546N35.7Very low30.1Very low133 Ų133130.2 Ų130.271%0.71164%0.641SS**Hα-helixtrans-88.6-17.3178.7-96.2-12.3000113.8N544 L550N544-N546 PolarHBondContact O-N 3.04Å; N546-L550 WeakPolarHBondContact O-CD1 3.38Å
547Q30.8Very low30.3Very low150 Ų150123.4 Ų123.470%0.70161%0.606SS**Hα-helixtrans-84.1-34.8-176.6-75.1-175.2-17.900113.4L550 F551Q547-L550 PolarHBondContact O-N 2.92Å; Q547-F551 PolarHBondContact O-N 2.85Å
548E30.2Very low30.4Very low142 Ų142120.9 Ų120.966%0.66459%0.585SS**Hα-helixtrans-70-39.6177.4-81.3-178.814000112.8L550 F551 I552E548-L550 VanDerWaalsContact C-N 3.28Å; E548-L550 PolarHBondContact O-N 3.41Å; E548-F551 WeakPolarHBondContact O-CB 3.49Å; E548-F551 PolarHBondContact O-N 2.89Å; E548-F551 VanDerWaalsContact O-N 3.1Å; E548-I552 PolarHBondContact O-N 2.99Å
549N30.1Very low30.6Very low112 Ų112117 Ų11760%0.59957%0.568SS**Hα-helixtrans-69.6-24.2177.3-77.7-42.2000113.2N545N545-N549 PolarHBondContact O-ND2 3.42Å
550L30.2Very low31Very low64 Ų64113.8 Ų113.834%0.33555%0.549SS..Hα-helixtrans-73.9-27.2170.9-107.7106.6000112.7N546 Q547 E548 R554 T609N546-L550 WeakPolarHBondContact O-CD1 3.38Å; Q547-L550 PolarHBondContact O-N 2.92Å; E548-L550 VanDerWaalsContact C-N 3.28Å; E548-L550 PolarHBondContact O-N 3.41Å; L550-R554 WeakPolarHBondContact O-CG 3.3Å; L550-T609 HydrophobicContact CD2-CG2 3.41Å; L550-T609 VanDerWaalsContact CD2-CG2 3.41Å; L550-T609 HydrophobicContact CG-CG2 4.05Å
551F30.1Very low31.3Very low103 Ų103107.8 Ų107.845%0.45252%0.518SS..Hα-helixtrans-75.7-41.9-176.2-170.1-97.2000111.9Q547 E548 R554 Q754Q547-F551 PolarHBondContact O-N 2.85Å; E548-F551 WeakPolarHBondContact O-CB 3.49Å; E548-F551 PolarHBondContact O-N 2.89Å; E548-F551 VanDerWaalsContact O-N 3.1Å; F551-R554 PolarHBondContact O-N 3.1Å; F551-Q754 HydrophobicContact CE2-CG 4.25Å; F551-Q754 HydrophobicContact CZ-CG 3.96Å
552I31.2Very low31.7Very low113 Ų11399.6 Ų99.658%0.57948%0.483SS*.Hα-helixtrans-72-36.3-179.3-63.2172.3000111.4E548 R554E548-I552 PolarHBondContact O-N 2.99Å; I552-R554 VanDerWaalsContact C-N 3.32Å; I552-R554 PolarHBondContact O-N 3.37Å
553R30.4Very low32.2Very low166 Ų16694.9 Ų94.963%0.62647%0.467SS*.Hα-helixtrans-68.8-23.6177.1-98.8178.2172.4164.4-2.1114.5Q555R553-Q555 VanDerWaalsContact C-N 3.34Å; R553-Q555 PolarHBondContact O-N 3.35Å
554R28.2Very low32.7Very low121 Ų12194 Ų9446%0.45746%0.458SS..THydrogen-bonded Turntrans-72.2-21.2179.5-84.2173.7171.8173-1.6114.3L550 F551 I552L550-R554 WeakPolarHBondContact O-CG 3.3Å; F551-R554 PolarHBondContact O-N 3.1Å; I552-R554 VanDerWaalsContact C-N 3.32Å; I552-R554 PolarHBondContact O-N 3.37Å
555Q29.3Very low32.8Very low46 Ų4688.8 Ų88.822%0.21543%0.431CS..THydrogen-bonded Turntrans-87.2-20.8-174.9-67-69.3-21.700113.4R553 F676R553-Q555 VanDerWaalsContact C-N 3.34Å; R553-Q555 PolarHBondContact O-N 3.35Å; Q555-F676 WeakPolarHBondContact O-CD2 3.12Å
556L29.7Very low33Very low89 Ų8984.6 Ų84.647%0.46641%0.406SS..THydrogen-bonded Turntrans-87.7-26.6-169.5-95.1156.7000115.2I675L556-I675 HydrophobicContact CD1-CD1 3.93Å; L556-I675 HydrophobicContact CD2-CB 3.94Å; L556-I675 HydrophobicContact CD2-CD1 3.41Å; L556-I675 VanDerWaalsContact CD2-CD1 3.41Å; L556-I675 HydrophobicContact CD2-CG1 3.41Å; L556-I675 VanDerWaalsContact CD2-CG1 3.41Å; L556-I675 HydrophobicContact CD2-CG2 3.85Å; L556-I675 HydrophobicContact CG-CB 3.93Å; L556-I675 HydrophobicContact CG-CD1 3.72Å; L556-I675 HydrophobicContact CG-CG1 3.89Å; L556-I675 HydrophobicContact CG-CG2 3.9Å
557T33.9Very low33.1Very low19 Ų1981.1 Ų81.112%0.11739%0.389CS..SBendtrans-107.9-0.1-170.454.20000113.6M561 Y608T557-M561 WeakPolarHBondContact O-CB 3.14Å; T557-M561 PolarHBondContact O-N 3.45Å; T557-M561 VanDerWaalsContact O-N 3.08Å; T557-Y608 HydrophobicContact CG2-CD1 4.16Å; T557-Y608 HydrophobicContact CG2-CE1 3.3Å
558F32Very low33.5Very low44 Ų4478.1 Ų78.119%0.19338%0.375CS..Hα-helixtrans-60.4-42.2-175.4-154.6-100.3000114M561 L562 Y601F558-M561 HydrophobicContact CD2-CE 4.33Å; F558-L562 HydrophobicContact CD1-CD1 3.59Å; F558-L562 HydrophobicContact CE1-CD1 3.61Å; F558-L562 WeakPolarHBondContact O-CB 3.47Å; F558-L562 WeakPolarHBondContact O-CD1 3.15Å; F558-L562 WeakPolarHBondContact O-CG 3.44Å; F558-L562 PolarHBondContact O-N 3.18Å; F558-L562 VanDerWaalsContact O-N 3.16Å; F558-Y601 VanDerWaalsContact CE2-OH 3.29Å; F558-Y601 WeakPolarHBondContact CE2-OH 3.4Å
559P31.7Very low33.9Very low67 Ų6772.9 Ų72.944%0.43535%0.354SS..Hα-helixtrans-70.8-37.1-179.4-19.333.9000114N563 F676P559-N563 PolarHBondContact O-N 3.12Å; P559-N563 VanDerWaalsContact O-N 3.15Å; P559-F676 HydrophobicContact CG-CE2 4.22Å; P559-F676 HydrophobicContact CG-CZ 4.23Å
560E36.2Very low34.2Very low87 Ų8769 Ų6941%0.40734%0.337SS..Hα-helixtrans-73.7-39.4178.2-77.5179.9149.500112.3L562 N563 Q564 L620E560-L562 VanDerWaalsContact C-N 3.31Å; E560-L562 PolarHBondContact O-N 2.74Å; E560-N563 PolarHBondContact O-N 3.39Å; E560-Q564 PolarHBondContact O-N 3.49Å; E560-L620 WeakPolarHBondContact OE1-CD1 3.16Å; E560-L620 WeakPolarHBondContact OE1-CD2 3.36Å
561M35.4Very low34.6Very low22 Ų2274.3 Ų74.311%0.10835%0.353CS..Hα-helixtrans-58.8-42.4171.9-95.8-165.6-53.100112T557 F558 N565 E604 Y608T557-M561 WeakPolarHBondContact O-CB 3.14Å; T557-M561 PolarHBondContact O-N 3.45Å; T557-M561 VanDerWaalsContact O-N 3.08Å; F558-M561 HydrophobicContact CD2-CE 4.33Å; M561-N565 WeakPolarHBondContact O-CB 3.24Å; M561-N565 PolarHBondContact O-N 3.23Å; M561-N565 PolarHBondContact O-ND2 3.4Å; M561-E604 HydrophobicContact SD-CB 4.36Å; M561-Y608 HydrophobicContact CG-CE2 4.33Å; M561-Y608 HydrophobicContact SD-CD2 4.34Å
562L35.2Very low34.9Very low15 Ų1572.7 Ų72.78%0.07935%0.347CS..Hα-helixtrans-61.7-48.9176.2-84.5161000110.2F558 E560 Q564 N565 Y566F558-L562 HydrophobicContact CD1-CD1 3.59Å; F558-L562 HydrophobicContact CE1-CD1 3.61Å; F558-L562 WeakPolarHBondContact O-CB 3.47Å; F558-L562 WeakPolarHBondContact O-CD1 3.15Å; F558-L562 WeakPolarHBondContact O-CG 3.44Å; F558-L562 PolarHBondContact O-N 3.18Å; F558-L562 VanDerWaalsContact O-N 3.16Å; E560-L562 VanDerWaalsContact C-N 3.31Å; E560-L562 PolarHBondContact O-N 2.74Å; L562-Q564 PolarHBondContact O-N 3.34Å; L562-N565 PolarHBondContact O-N 3.08Å; L562-Y566 VanDerWaalsContact C-CD2 3.45Å; L562-Y566 HydrophobicContact CB-CD2 4.09Å; L562-Y566 HydrophobicContact CB-CE2 3.77Å; L562-Y566 HydrophobicContact CD2-CD2 4.33Å; L562-Y566 HydrophobicContact CD2-CE2 3.31Å; L562-Y566 VanDerWaalsContact CD2-OH 3.26Å; L562-Y566 WeakPolarHBondContact CD2-OH 3.14Å; L562-Y566 HydrophobicContact CG-CE2 4.11Å; L562-Y566 WeakPolarHBondContact O-CB 3.06Å; L562-Y566 WeakPolarHBondContact O-CD2 3.01Å; L562-Y566 VanDerWaalsContact O-CG 3.32Å; L562-Y566 PolarHBondContact O-N 3.21Å
563N38.2Very low35Very low96 Ų9669.8 Ų69.851%0.51333%0.332SS..Hα-helixtrans-59.8-42-179.4-165.727.3000113P559 E560 T567P559-N563 PolarHBondContact O-N 3.12Å; P559-N563 VanDerWaalsContact O-N 3.15Å; E560-N563 PolarHBondContact O-N 3.39Å; N563-T567 WeakPolarHBondContact O-CB 3.36Å; N563-T567 PolarHBondContact O-N 3.41Å; N563-T567 PolarHBondContact O-OG1 2.83Å
564Q38.9Very low35.3Very low128 Ų12865.5 Ų65.560%0.59833%0.328SS*.Hα-helixtrans-69-45.1178.8-72-178.6-8.900112.4E560 L562 Y566 T567 Q568E560-Q564 PolarHBondContact O-N 3.49Å; L562-Q564 PolarHBondContact O-N 3.34Å; Q564-Y566 PolarHBondContact O-N 3.4Å; Q564-T567 PolarHBondContact O-N 3.36Å; Q564-Q568 WeakPolarHBondContact O-CB 3.35Å; Q564-Q568 PolarHBondContact O-N 3.13Å
565N36.3Very low35.7Very low21 Ų2165 Ų6511%0.11233%0.334CS..Hα-helixtrans-62.8-41.6176.1-81-57.9000111.7M561 L562 Q568 S569 E604M561-N565 WeakPolarHBondContact O-CB 3.24Å; M561-N565 PolarHBondContact O-N 3.23Å; M561-N565 PolarHBondContact O-ND2 3.4Å; L562-N565 PolarHBondContact O-N 3.08Å; N565-Q568 PolarHBondContact O-N 3.48Å; N565-S569 WeakPolarHBondContact O-CB 3.43Å; N565-S569 PolarHBondContact O-N 3.47Å; N565-S569 PolarHBondContact O-OG 3.11Å; N565-E604 PolarHBondContact ND2-OE2 3.27Å
566Y38.4Very low36Very low39 Ų3967.5 Ų67.515%0.15335%0.348CS..Hα-helixtrans-65.6-39.2175.4-72.5-54.4000112.7L562 Q564 Q568 A570 L650 M653L562-Y566 VanDerWaalsContact C-CD2 3.45Å; L562-Y566 HydrophobicContact CB-CD2 4.09Å; L562-Y566 HydrophobicContact CB-CE2 3.77Å; L562-Y566 HydrophobicContact CD2-CD2 4.33Å; L562-Y566 HydrophobicContact CD2-CE2 3.31Å; L562-Y566 VanDerWaalsContact CD2-OH 3.26Å; L562-Y566 WeakPolarHBondContact CD2-OH 3.14Å; L562-Y566 HydrophobicContact CG-CE2 4.11Å; L562-Y566 WeakPolarHBondContact O-CB 3.06Å; L562-Y566 WeakPolarHBondContact O-CD2 3.01Å; L562-Y566 VanDerWaalsContact O-CG 3.32Å; L562-Y566 PolarHBondContact O-N 3.21Å; Q564-Y566 PolarHBondContact O-N 3.4Å; Y566-Q568 VanDerWaalsContact C-N 3.32Å; Y566-Q568 PolarHBondContact O-N 3.11Å; Y566-A570 WeakPolarHBondContact O-CB 3.46Å; Y566-A570 PolarHBondContact O-N 3.46Å; Y566-L650 HydrophobicContact CG-CD2 4.3Å; Y566-M653 HydrophobicContact CE1-CE 3.8Å; Y566-M653 HydrophobicContact CE1-SD 4.05Å; Y566-M653 HydrophobicContact CE2-CE 4.35Å; Y566-M653 VanDerWaalsContact CZ-CE 3.47Å; Y566-M653 WeakPolarHBondContact OH-CE 3.49Å
567T39.1Very low36.2Very low60 Ų6070.1 Ų70.137%0.36836%0.362SS..Hα-helixtrans-66.2-36.8177.4-53.60000111.5N563 Q564 R571N563-T567 WeakPolarHBondContact O-CB 3.36Å; N563-T567 PolarHBondContact O-N 3.41Å; N563-T567 PolarHBondContact O-OG1 2.83Å; Q564-T567 PolarHBondContact O-N 3.36Å; T567-R571 WeakPolarHBondContact O-CG 3.35Å; T567-R571 PolarHBondContact O-N 3.29Å; T567-R571 VanDerWaalsContact O-N 3.1Å
568Q39.3Very low36.3Very low87 Ų8773.6 Ų73.641%0.40739%0.388SS..Hα-helixtrans-73.1-43.2178.5-165.4172.45.800112Q564 N565 Y566 A570 R571 Q572Q564-Q568 WeakPolarHBondContact O-CB 3.35Å; Q564-Q568 PolarHBondContact O-N 3.13Å; N565-Q568 PolarHBondContact O-N 3.48Å; Y566-Q568 VanDerWaalsContact C-N 3.32Å; Y566-Q568 PolarHBondContact O-N 3.11Å; Q568-A570 VanDerWaalsContact C-N 3.34Å; Q568-R571 PolarHBondContact O-N 2.56Å; Q568-Q572 WeakPolarHBondContact O-CG 3.39Å; Q568-Q572 PolarHBondContact O-N 2.95Å; Q568-Q572 VanDerWaalsContact O-N 3.17Å
569S37.9Very low36.3Very low32 Ų3274.1 Ų74.122%0.22440%0.396CS..Hα-helixtrans-64.1-37.1172.6-63.40000112.2N565 Q572 L573N565-S569 WeakPolarHBondContact O-CB 3.43Å; N565-S569 PolarHBondContact O-N 3.47Å; N565-S569 PolarHBondContact O-OG 3.11Å; S569-Q572 PolarHBondContact O-N 3.46Å; S569-L573 WeakPolarHBondContact O-CG 3.46Å; S569-L573 PolarHBondContact O-N 3.39Å
570A36.9Very low36.2Very low29 Ų2981.2 Ų81.224%0.2442%0.421CS..Hα-helixtrans-65.9-38.3175.600000113Y566 Q568 L573 S574Y566-A570 WeakPolarHBondContact O-CB 3.46Å; Y566-A570 PolarHBondContact O-N 3.46Å; Q568-A570 VanDerWaalsContact C-N 3.34Å; A570-L573 PolarHBondContact O-N 2.84Å; A570-S574 PolarHBondContact O-N 2.97Å
571R39Very low35.8Very low176 Ų17684.1 Ų84.166%0.66444%0.438SS*.Hα-helixtrans-64.7-40.6173.6-77.2178.3-175.7168.63.1112.1T567 Q568 L573 S574 D575T567-R571 WeakPolarHBondContact O-CG 3.35Å; T567-R571 PolarHBondContact O-N 3.29Å; T567-R571 VanDerWaalsContact O-N 3.1Å; Q568-R571 PolarHBondContact O-N 2.56Å; R571-L573 VanDerWaalsContact C-N 3.35Å; R571-S574 WeakPolarHBondContact O-CB 3.43Å; R571-S574 PolarHBondContact O-N 2.81Å; R571-D575 PolarHBondContact O-N 3.05Å
572Q36.3Very low35.4Very low70 Ų7093 Ų9333%0.32748%0.476SS..Hα-helixtrans-65.7-36.9176-70.6176.7-18.600112.2Q568 S569 D575 I576Q568-Q572 WeakPolarHBondContact O-CG 3.39Å; Q568-Q572 PolarHBondContact O-N 2.95Å; Q568-Q572 VanDerWaalsContact O-N 3.17Å; S569-Q572 PolarHBondContact O-N 3.46Å; Q572-D575 PolarHBondContact O-N 3.27Å; Q572-I576 WeakPolarHBondContact O-CD1 3.46Å; Q572-I576 VanDerWaalsContact O-CG1 3.24Å; Q572-I576 WeakPolarHBondContact O-CG1 3.43Å; Q572-I576 PolarHBondContact O-N 3.03Å
573L33.2Very low35.1Very low52 Ų5296.5 Ų96.527%0.27250%0.501SS..Hα-helixtrans-67-38.1174-74.5163.6000112.9S569 A570 R571 I576 N577 L593 L646S569-L573 WeakPolarHBondContact O-CG 3.46Å; S569-L573 PolarHBondContact O-N 3.39Å; A570-L573 PolarHBondContact O-N 2.84Å; R571-L573 VanDerWaalsContact C-N 3.35Å; L573-I576 PolarHBondContact O-N 3.36Å; L573-N577 PolarHBondContact O-N 3.15Å; L573-L593 HydrophobicContact CD2-CD2 4.33Å; L573-L646 HydrophobicContact CD1-CD1 3.67Å; L573-L646 HydrophobicContact CD1-CD2 4.38Å
574S36.8Very low34.4Very low75 Ų75100.2 Ų100.252%0.52452%0.521SS..Hα-helixtrans-60.4-45.2171.3159.60000111.9A570 R571 I576 N577 S578A570-S574 PolarHBondContact O-N 2.97Å; R571-S574 WeakPolarHBondContact O-CB 3.43Å; R571-S574 PolarHBondContact O-N 2.81Å; S574-I576 VanDerWaalsContact C-N 3.34Å; S574-I576 PolarHBondContact O-N 2.99Å; S574-N577 PolarHBondContact O-N 2.63Å; S574-S578 WeakPolarHBondContact O-CB 3.24Å; S574-S578 PolarHBondContact O-N 3.36Å; S574-S578 VanDerWaalsContact O-N 3.08Å; S574-S578 PolarHBondContact O-OG 2.67Å
575D36.8Very low33.9Very low110 Ų11097.1 Ų97.159%0.58851%0.513SS*.Hα-helixtrans-66.8-35.4-179.9-72.9-14.5000111.9R571 Q572 S578R571-D575 PolarHBondContact O-N 3.05Å; Q572-D575 PolarHBondContact O-N 3.27Å; D575-S578 PolarHBondContact O-OG 2.97Å
576I35.8Very low33.5Very low99 Ų99102 Ų10251%0.50854%0.544SS..Hα-helixtrans-71.5-44177.1-67.9164.8000111.5Q572 L573 S574 S578 S579Q572-I576 WeakPolarHBondContact O-CD1 3.46Å; Q572-I576 VanDerWaalsContact O-CG1 3.24Å; Q572-I576 WeakPolarHBondContact O-CG1 3.43Å; Q572-I576 PolarHBondContact O-N 3.03Å; L573-I576 PolarHBondContact O-N 3.36Å; S574-I576 VanDerWaalsContact C-N 3.34Å; S574-I576 PolarHBondContact O-N 2.99Å; I576-S578 VanDerWaalsContact C-N 3.29Å; I576-S578 PolarHBondContact O-N 3.47Å; I576-S579 WeakPolarHBondContact O-CB 3.43Å; I576-S579 PolarHBondContact O-N 3.28Å; I576-S579 VanDerWaalsContact O-N 3.15Å; I576-S579 PolarHBondContact O-OG 3.48Å
577N32.7Very low33.1Very low145 Ų145103.5 Ų103.578%0.77555%0.551SS**Hα-helixtrans-68.9-24.1177.8-93.3-17.6000113.8L573 S574 S579L573-N577 PolarHBondContact O-N 3.15Å; S574-N577 PolarHBondContact O-N 2.63Å; N577-S579 PolarHBondContact O-N 2.94Å
578S36.7Very low32.9Very low92 Ų92105.2 Ų105.264%0.64356%0.561SS**THydrogen-bonded Turntrans-75-11174.272.10000113.5S574 D575 I576S574-S578 WeakPolarHBondContact O-CB 3.24Å; S574-S578 PolarHBondContact O-N 3.36Å; S574-S578 VanDerWaalsContact O-N 3.08Å; S574-S578 PolarHBondContact O-OG 2.67Å; D575-S578 PolarHBondContact O-OG 2.97Å; I576-S578 VanDerWaalsContact C-N 3.29Å; I576-S578 PolarHBondContact O-N 3.47Å
579S32Very low32.7Very low54 Ų54107.2 Ų107.238%0.37858%0.575SS.*SBendtrans-86.7123.7171.978.60000110.2I576 N577 L581I576-S579 WeakPolarHBondContact O-CB 3.43Å; I576-S579 PolarHBondContact O-N 3.28Å; I576-S579 VanDerWaalsContact O-N 3.15Å; I576-S579 PolarHBondContact O-OG 3.48Å; N577-S579 PolarHBondContact O-N 2.94Å; S579-L581 PolarHBondContact O-N 3.37Å
580K29.1Very low33Very low217 Ų217109.3 Ų109.394%0.94358%0.584SS**  trans-65.441.7-174.9-78.7179.6171.1176.70115.4K582K580-K582 PolarHBondContact O-N 3.36Å
581L28.5Very low32.9Very low147 Ų147110.6 Ų110.677%0.7759%0.588SS**  trans-91.795.4174.9-78.5159.4000109.8S579 C583S579-L581 PolarHBondContact O-N 3.37Å; L581-C583 PolarHBondContact O-N 3.1Å; L581-C583 VanDerWaalsContact O-N 3.12Å
582K25.6Very low32.8Very low209 Ų209109.4 Ų109.491%0.90959%0.59SS**  trans-58.8109.3163-74.8179174-179.20108.4K580K580-K582 PolarHBondContact O-N 3.36Å
583C28.6Very low32.8Very low88 Ų88109 Ų10960%0.59559%0.59SS**  trans-129.595.3171.6-131.30000111.8L581 S585L581-C583 PolarHBondContact O-N 3.1Å; L581-C583 VanDerWaalsContact O-N 3.12Å; C583-S585 VanDerWaalsContact C-N 3.26Å; C583-S585 PolarHBondContact O-N 3.17Å; C583-S585 VanDerWaalsContact O-N 3.15Å
584N24.5Very low33Very low175 Ų175108 Ų10894%0.93658%0.584SS**  trans-78.272.8164.6-72.8-20.6000109.1
585S27.5Very low33.1Very low63 Ų63109.8 Ų109.844%0.44158%0.584SS.*  trans-166.789.5164.955.50000110C583 F587C583-S585 VanDerWaalsContact C-N 3.26Å; C583-S585 PolarHBondContact O-N 3.17Å; C583-S585 VanDerWaalsContact O-N 3.15Å; S585-F587 PolarHBondContact O-N 3.35Å
586V28.7Very low33.2Very low124 Ų124106.9 Ų106.975%0.75257%0.571SS**THydrogen-bonded Turntrans-61.7127.8177.6-171.30000108.7
587F29.8Very low33.2Very low70 Ų70104.4 Ų104.431%0.30756%0.555SS.*THydrogen-bonded Turntrans94.816.2172.8-62.2-81.8000121.9S585 K729 V735S585-F587 PolarHBondContact O-N 3.35Å; F587-K729 HydrophobicContact CB-CD 4.45Å; F587-K729 VanDerWaalsContact CB-CE 3.45Å; F587-K729 VanDerWaalsContact CB-NZ 3.26Å; F587-K729 HydrophobicContact CD1-CD 4.19Å; F587-K729 HydrophobicContact CD1-CG 4.27Å; F587-K729 HydrophobicContact CD2-CD 4.35Å; F587-K729 HydrophobicContact CE1-CD 4.37Å; F587-K729 HydrophobicContact CE1-CG 3.95Å; F587-K729 HydrophobicContact CE2-CG 4.39Å; F587-K729 HydrophobicContact CG-CD 4.15Å; F587-K729 HydrophobicContact CZ-CG 4.04Å; F587-V735 HydrophobicContact CD1-CG2 4.17Å; F587-V735 HydrophobicContact CE1-CG2 3.52Å; F587-V735 HydrophobicContact CZ-CG2 3.86Å
588T34.3Very low33.5Very low96 Ų96100.8 Ų100.859%0.58953%0.532SS*.SBendtrans-110.4-16176.6460000116.7
589D36.4Very low33.6Very low129 Ų12998.3 Ų98.369%0.6951%0.512SS*.SBendtrans-1112.5-175.5-81.3-20.1000115.3
590D43.4Very low33.7Very low76 Ų7697.9 Ų97.941%0.40651%0.506SS..THydrogen-bonded Turntrans-92.9-0.7-171.6-67.3-42.7000115.9Q592 L593 M594D590-Q592 PolarHBondContact O-N 3.38Å; D590-L593 WeakPolarHBondContact O-CB 3.45Å; D590-L593 PolarHBondContact O-N 3.06Å; D590-L593 VanDerWaalsContact O-N 3.13Å; D590-M594 PolarHBondContact O-N 3.38Å; D590-M594 VanDerWaalsContact O-N 3.1Å
591T36.2Very low34Very low55 Ų5589.8 Ų89.834%0.33747%0.47SS..Hα-helixtrans-59.9-35.6179.1-27.60000111.7E595T591-E595 WeakPolarHBondContact O-CB 3.47Å; T591-E595 VanDerWaalsContact O-CG 3.3Å; T591-E595 WeakPolarHBondContact O-CG 3.45Å; T591-E595 PolarHBondContact O-N 3.46Å
592Q36.8Very low34.2Very low151 Ų15186.3 Ų86.371%0.70645%0.452SS*.Hα-helixtrans-73.9-30.4-179.9-150.7168.922.600112D590 T596D590-Q592 PolarHBondContact O-N 3.38Å; Q592-T596 WeakPolarHBondContact O-CB 3.29Å; Q592-T596 PolarHBondContact O-N 3.33Å; Q592-T596 PolarHBondContact O-OG1 3.44Å
593L36.5Very low34.7Very low62 Ų6277 Ų7733%0.32541%0.412SS..Hα-helixtrans-72.5-44.4177.8-161.481.4000110.9L573 D590 T596 Y597L573-L593 HydrophobicContact CD2-CD2 4.33Å; D590-L593 WeakPolarHBondContact O-CB 3.45Å; D590-L593 PolarHBondContact O-N 3.06Å; D590-L593 VanDerWaalsContact O-N 3.13Å; L593-T596 WeakPolarHBondContact O-CB 3.3Å; L593-T596 PolarHBondContact O-N 3.04Å; L593-Y597 PolarHBondContact O-N 3.48Å
594M36.6Very low34.9Very low31 Ų3175.5 Ų75.515%0.15340%0.397CS..Hα-helixtrans-68.9-40176.1-72.4-68.3-81.200111.9D590 T596 Y597 Y598 L725D590-M594 PolarHBondContact O-N 3.38Å; D590-M594 VanDerWaalsContact O-N 3.1Å; M594-T596 VanDerWaalsContact C-N 3.29Å; M594-T596 PolarHBondContact O-N 3.46Å; M594-Y597 PolarHBondContact O-N 3.08Å; M594-Y598 HydrophobicContact CE-CE2 3.88Å; M594-Y598 WeakPolarHBondContact O-CD2 3.42Å; M594-Y598 PolarHBondContact O-N 3.41Å; M594-Y598 VanDerWaalsContact O-N 3.1Å; M594-L725 HydrophobicContact CE-CD2 4.19Å; M594-L725 HydrophobicContact CG-CD1 4.48Å
595E38.5Very low35.1Very low112 Ų11270 Ų7052%0.52337%0.367SS..Hα-helixtrans-59.6-40.2170.6-80.7178170.600111.4T591 T599T591-E595 WeakPolarHBondContact O-CB 3.47Å; T591-E595 VanDerWaalsContact O-CG 3.3Å; T591-E595 WeakPolarHBondContact O-CG 3.45Å; T591-E595 PolarHBondContact O-N 3.46Å; E595-T599 WeakPolarHBondContact O-CB 3.43Å; E595-T599 PolarHBondContact O-N 3.42Å; E595-T599 PolarHBondContact O-OG1 3.26Å
596T38.9Very low35.3Very low50 Ų5070.9 Ų70.931%0.30737%0.366SS..Hα-helixtrans-66.2-40.6177.2-570000111.8Q592 L593 M594 T599 N600Q592-T596 WeakPolarHBondContact O-CB 3.29Å; Q592-T596 PolarHBondContact O-N 3.33Å; Q592-T596 PolarHBondContact O-OG1 3.44Å; L593-T596 WeakPolarHBondContact O-CB 3.3Å; L593-T596 PolarHBondContact O-N 3.04Å; M594-T596 VanDerWaalsContact C-N 3.29Å; M594-T596 PolarHBondContact O-N 3.46Å; T596-T599 PolarHBondContact O-N 3.47Å; T596-N600 WeakPolarHBondContact O-CB 3.49Å; T596-N600 PolarHBondContact O-N 2.95Å
597Y36.3Very low35.6Very low46 Ų4667.1 Ų67.118%0.1834%0.342CS..Hα-helixtrans-60.2-52.4176.9179.8-99.7000112.3L593 M594 T599 N600 Y601 F739L593-Y597 PolarHBondContact O-N 3.48Å; M594-Y597 PolarHBondContact O-N 3.08Å; Y597-T599 PolarHBondContact O-N 2.73Å; Y597-N600 PolarHBondContact O-N 3.45Å; Y597-Y601 PolarHBondContact O-N 3.48Å; Y597-Y601 VanDerWaalsContact O-N 3.11Å; Y597-F739 HydrophobicContact CD1-CE2 4.22Å; Y597-F739 AromaticContact CE1-CE2 3.73Å; Y597-F739 HydrophobicContact CE1-CE2 3.73Å; Y597-F739 AromaticContact CE1-CZ 3.99Å; Y597-F739 HydrophobicContact CE1-CZ 3.99Å; Y597-F739 HydrophobicContact CE2-CE2 4.22Å; Y597-F739 HydrophobicContact CE2-CZ 4.09Å; Y597-F739 AromaticContact CZ-CE2 3.75Å; Y597-F739 AromaticContact CZ-CZ 3.58Å; Y597-F739 WeakPolarHBondContact OH-CZ 3.26Å
598Y38.8Very low35.7Very low70 Ų7067.7 Ų67.728%0.27534%0.342SS..Hα-helixtrans-68.7-34.3179.2-70.8-63.3000112.7M594 Y601 D602 R712 D742M594-Y598 HydrophobicContact CE-CE2 3.88Å; M594-Y598 WeakPolarHBondContact O-CD2 3.42Å; M594-Y598 PolarHBondContact O-N 3.41Å; M594-Y598 VanDerWaalsContact O-N 3.1Å; Y598-Y601 PolarHBondContact O-N 3.1Å; Y598-D602 PolarHBondContact O-N 3.08Å; Y598-D602 VanDerWaalsContact O-N 3.13Å; Y598-R712 PolarHBondContact OH-NH2 2.69Å; Y598-D742 PolarHBondContact OH-OD2 2.83Å
599T38Very low35.5Very low39 Ų3966 Ų6624%0.23933%0.332CS..Hα-helixtrans-67.1-37.9177.1-55.30000111.6L223 E595 T596 Y597 N603L223-T599 HydrophobicContact CB-CG2 4.34Å; E595-T599 WeakPolarHBondContact O-CB 3.43Å; E595-T599 PolarHBondContact O-N 3.42Å; E595-T599 PolarHBondContact O-OG1 3.26Å; T596-T599 PolarHBondContact O-N 3.47Å; Y597-T599 PolarHBondContact O-N 2.73Å; T599-N603 VanDerWaalsContact O-CB 3.3Å; T599-N603 WeakPolarHBondContact O-CB 2.85Å; T599-N603 PolarHBondContact O-N 3.15Å; T599-N603 PolarHBondContact O-ND2 3.29Å
600N35.6Very low35.4Very low45 Ų4563.8 Ų63.824%0.24132%0.316CS..Hα-helixtrans-72.4-38.6176.9-73.9-10.1000112.3T596 Y597 N603 E604T596-N600 WeakPolarHBondContact O-CB 3.49Å; T596-N600 PolarHBondContact O-N 2.95Å; Y597-N600 PolarHBondContact O-N 3.45Å; N600-N603 PolarHBondContact O-N 3.16Å; N600-E604 PolarHBondContact O-N 2.97Å; N600-E604 VanDerWaalsContact O-N 3.11Å
601Y34.7Very low34.8Very low47 Ų4766.2 Ų66.218%0.18433%0.329CS..Hα-helixtrans-64.7-45.4179.2-167.7-97.8000112.8F558 Y597 Y598 N603 E604 L605F558-Y601 VanDerWaalsContact CE2-OH 3.29Å; F558-Y601 WeakPolarHBondContact CE2-OH 3.4Å; Y597-Y601 PolarHBondContact O-N 3.48Å; Y597-Y601 VanDerWaalsContact O-N 3.11Å; Y598-Y601 PolarHBondContact O-N 3.1Å; Y601-N603 VanDerWaalsContact C-N 3.33Å; Y601-N603 PolarHBondContact O-N 3.14Å; Y601-E604 PolarHBondContact O-N 3.42Å; Y601-L605 HydrophobicContact CD1-CD1 4.22Å; Y601-L605 HydrophobicContact CE1-CD1 3.64Å; Y601-L605 PolarHBondContact O-N 3.01Å
602D33.1Very low34.6Very low74 Ų7469.1 Ų69.140%0.39634%0.337SS..Hα-helixtrans-66.5-36.4177.5-75.9-21.6000111.7M224 Y598 L606M224-D602 HydrophobicContact CE-CB 3.73Å; M224-D602 WeakPolarHBondContact CE-O 3.35Å; M224-D602 HydrophobicContact CG-CB 3.93Å; Y598-D602 PolarHBondContact O-N 3.08Å; Y598-D602 VanDerWaalsContact O-N 3.13Å; D602-L606 PolarHBondContact O-N 3Å
603N34.6Very low34.5Very low14 Ų1469.1 Ų69.18%0.07534%0.342CS..Hα-helixtrans-67.1-36.5-179.9-79.2-32.2000112.5F178 M224 T599 N600 Y601 N607F178-N603 HydrophobicContact CE1-CB 4.43Å; F178-N603 WeakPolarHBondContact CE1-OD1 3.38Å; M224-N603 HydrophobicContact CE-CB 4.18Å; M224-N603 VanDerWaalsContact CE-N 3.31Å; M224-N603 WeakPolarHBondContact CE-OD1 2.97Å; T599-N603 VanDerWaalsContact O-CB 3.3Å; T599-N603 WeakPolarHBondContact O-CB 2.85Å; T599-N603 PolarHBondContact O-N 3.15Å; T599-N603 PolarHBondContact O-ND2 3.29Å; N600-N603 PolarHBondContact O-N 3.16Å; Y601-N603 VanDerWaalsContact C-N 3.33Å; Y601-N603 PolarHBondContact O-N 3.14Å; N603-N607 WeakPolarHBondContact O-CB 3.46Å; N603-N607 PolarHBondContact O-N 3.26Å; N603-N607 PolarHBondContact O-ND2 3.13Å; N603-N607 PolarHBondContact O-OD1 2.86Å
604E33Very low34.3Very low57 Ų5774 Ų7427%0.26636%0.363SS..Hα-helixtrans-81.7-31.6179.8-71.7-171.3153.200113M561 N565 N600 Y601 L606 N607 Y608M561-E604 HydrophobicContact SD-CB 4.36Å; N565-E604 PolarHBondContact ND2-OE2 3.27Å; N600-E604 PolarHBondContact O-N 2.97Å; N600-E604 VanDerWaalsContact O-N 3.11Å; Y601-E604 PolarHBondContact O-N 3.42Å; E604-L606 PolarHBondContact O-N 3.1Å; E604-N607 PolarHBondContact O-N 2.88Å; E604-N607 VanDerWaalsContact O-N 3.13Å; E604-Y608 WeakPolarHBondContact O-CB 3.17Å; E604-Y608 PolarHBondContact O-N 3.01Å
605L30.5Very low34.2Very low60 Ų6081.1 Ų81.131%0.31440%0.396SS..Hα-helixtrans-63.3-25.7173.4-132.1114.9000112.8Y601Y601-L605 HydrophobicContact CD1-CD1 4.22Å; Y601-L605 HydrophobicContact CE1-CD1 3.64Å; Y601-L605 PolarHBondContact O-N 3.01Å
606L30.8Very low33.9Very low81 Ų8182 Ų8242%0.42441%0.405SS..Hα-helixtrans-87.4-30.4175-130.280.3000112.8M224 D602 E604 T609M224-L606 HydrophobicContact CE-CB 4.43Å; M224-L606 HydrophobicContact CE-CD2 4.44Å; D602-L606 PolarHBondContact O-N 3Å; E604-L606 PolarHBondContact O-N 3.1Å; L606-T609 PolarHBondContact O-OG1 3Å
607N33.8Very low33.7Very low44 Ų4483.7 Ų83.724%0.23542%0.418CS..Hα-helixtrans-86.8-26.4-174.7-69.3-4.6000113.6Y192 N603 E604 T609 K610Y192-N607 VanDerWaalsContact CE2-OD1 3.29Å; Y192-N607 WeakPolarHBondContact CE2-OD1 3.35Å; Y192-N607 PolarHBondContact OH-ND2 3.09Å; Y192-N607 PolarHBondContact OH-OD1 3.48Å; N603-N607 WeakPolarHBondContact O-CB 3.46Å; N603-N607 PolarHBondContact O-N 3.26Å; N603-N607 PolarHBondContact O-ND2 3.13Å; N603-N607 PolarHBondContact O-OD1 2.86Å; E604-N607 PolarHBondContact O-N 2.88Å; E604-N607 VanDerWaalsContact O-N 3.13Å; N607-T609 PolarHBondContact O-N 3.37Å; N607-K610 PolarHBondContact O-N 3.03Å
608Y31.9Very low33.6Very low83 Ų8390.5 Ų90.533%0.32545%0.449SS..THydrogen-bonded Turntrans-73.5-11.2179.4-123.8-89.1000114.4T557 M561 E604 K610 F612T557-Y608 HydrophobicContact CG2-CD1 4.16Å; T557-Y608 HydrophobicContact CG2-CE1 3.3Å; M561-Y608 HydrophobicContact CG-CE2 4.33Å; M561-Y608 HydrophobicContact SD-CD2 4.34Å; E604-Y608 WeakPolarHBondContact O-CB 3.17Å; E604-Y608 PolarHBondContact O-N 3.01Å; Y608-K610 VanDerWaalsContact C-N 3.31Å; Y608-F612 HydrophobicContact CD1-CD2 4.3Å; Y608-F612 HydrophobicContact CD1-CE2 4.13Å; Y608-F612 AromaticContact CE1-CD2 3.84Å; Y608-F612 HydrophobicContact CE1-CD2 3.84Å; Y608-F612 AromaticContact CE1-CE2 3.24Å; Y608-F612 HydrophobicContact CE1-CE2 3.24Å; Y608-F612 HydrophobicContact CE1-CZ 4.14Å; Y608-F612 AromaticContact CZ-CE2 3.67Å
609T31.4Very low33.2Very low60 Ų6095.1 Ų95.137%0.36847%0.473SS..THydrogen-bonded Turntrans-84.1-4.7178.858.20000113.4L550 L606 N607L550-T609 HydrophobicContact CD2-CG2 3.41Å; L550-T609 VanDerWaalsContact CD2-CG2 3.41Å; L550-T609 HydrophobicContact CG-CG2 4.05Å; L606-T609 PolarHBondContact O-OG1 3Å; N607-T609 PolarHBondContact O-N 3.37Å
610K34.6Very low32.9Very low82 Ų8298 Ų9836%0.35749%0.486SS..THydrogen-bonded Turntrans-128.4-11-164.1-82.6147.7168.3-1710117.1K191 Y192 N607 Y608K191-K610 VanDerWaalsContact C-NZ 3.25Å; K191-K610 WeakPolarHBondContact O-CE 3.34Å; K191-K610 PolarHBondContact O-NZ 3.15Å; Y192-K610 HydrophobicContact CD2-CD 3.44Å; Y192-K610 VanDerWaalsContact CD2-CD 3.44Å; Y192-K610 HydrophobicContact CE2-CD 4.28Å; Y192-K610 HydrophobicContact CG-CB 4.36Å; Y192-K610 HydrophobicContact CG-CD 3.76Å; Y192-K610 HydrophobicContact CG-CG 4.46Å; N607-K610 PolarHBondContact O-N 3.03Å; Y608-K610 VanDerWaalsContact C-N 3.31Å
611N30.3Very low32.7Very low127 Ų127102 Ų10268%0.67951%0.507SS*.  trans-144.899.8178.3-74.6-44.1000111.2
612F32.4Very low32.7Very low117 Ų117108.8 Ų108.851%0.51354%0.537SS..  trans-138.4108.3164.5-127.9-96000109.3Y608Y608-F612 HydrophobicContact CD1-CD2 4.3Å; Y608-F612 HydrophobicContact CD1-CE2 4.13Å; Y608-F612 AromaticContact CE1-CD2 3.84Å; Y608-F612 HydrophobicContact CE1-CD2 3.84Å; Y608-F612 AromaticContact CE1-CE2 3.24Å; Y608-F612 HydrophobicContact CE1-CE2 3.24Å; Y608-F612 HydrophobicContact CE1-CZ 4.14Å; Y608-F612 AromaticContact CZ-CE2 3.67Å
613N33.8Very low32.8Very low151 Ų151110 Ų11081%0.80754%0.543SS*.  trans-115.8142.3173.1-76.1-17.3000109E615N613-E615 PolarHBondContact O-N 3.38Å
614E32.1Very low32.6Very low164 Ų164116.3 Ų116.377%0.76657%0.572SS**THydrogen-bonded Turntrans-74.134-160-66.7172.7133.200118.1R374R374-E614 IonicContact NH2-OE2 3.72Å
615E35.3Very low32.6Very low181 Ų181120.3 Ų120.385%0.84660%0.595SS**THydrogen-bonded Turntrans-107.8-4.8-177-82.9-174.9153.900116.9N613N613-E615 PolarHBondContact O-N 3.38Å
616N32.9Very low32.7Very low131 Ų131122.7 Ų122.770%0.70161%0.607SS**SBendtrans-94.76.4-175.2-79.1-10.5000116.1K618N616-K618 PolarHBondContact O-N 2.73Å
617S33.2Very low32.7Very low84 Ų84124.1 Ų124.159%0.58761%0.614SS**THydrogen-bonded Turntrans-85.2-0.2-17549.80000115.6
618K34.6Very low32.6Very low189 Ų189128.7 Ų128.782%0.82263%0.634SS**THydrogen-bonded Turntrans-108.3-3.7-175.3-71.5-175.8178.6177.60116.2N616N616-K618 PolarHBondContact O-N 2.73Å
619E30.6Very low32.7Very low167 Ų167130.3 Ų130.378%0.7865%0.649SS**SBendtrans-101.6-11.8179.6-111.4176.3169.100114.4
620L31.3Very low32.7Very low100 Ų100132.5 Ų132.552%0.52466%0.658SS.*G310 helixtrans-82.8-16.8-176.1-85149.5000115E560 K622E560-L620 WeakPolarHBondContact OE1-CD1 3.16Å; E560-L620 WeakPolarHBondContact OE1-CD2 3.36Å; L620-K622 PolarHBondContact O-N 3.43Å
621I32.5Very low32.6Very low130 Ų130133.6 Ų133.667%0.66767%0.667SS**G310 helixtrans-88.1-0.9-173-59.5171.3000112.9
622K34.8Very low32.8Very low188 Ų188134.8 Ų134.882%0.81767%0.669SS**G310 helixtrans-97.7-4.3-178.7-86.1-179.5177.6174.30115.9L620L620-K622 PolarHBondContact O-N 3.43Å
623N33.5Very low33Very low100 Ų100135.4 Ų135.454%0.53568%0.677SS.*  trans-105.62.7-171.5-71.8-21.3000115.4N625N623-N625 VanDerWaalsContact C-N 3.35Å; N623-N625 PolarHBondContact O-N 2.77Å
624E32Very low32.8Very low147 Ų147133.6 Ų133.669%0.68767%0.666SS**THydrogen-bonded Turntrans-68.7-24-176.4-74.6-179.2148.200114.8I626E624-I626 PolarHBondContact O-N 3Å
625N33.1Very low32.9Very low140 Ų140134.3 Ų134.375%0.74967%0.67SS**THydrogen-bonded Turntrans-87.30.8-175.2-73.1-35.5000115.2N623N623-N625 VanDerWaalsContact C-N 3.35Å; N623-N625 PolarHBondContact O-N 2.77Å
626I32.6Very low32.9Very low110 Ų110132 Ų13256%0.56466%0.663SS**SBendtrans-98.4-22.5-175.6-62.7174.4000111.6E624E624-I626 PolarHBondContact O-N 3Å
627I30.9Very low32.8Very low111 Ų111134.8 Ų134.857%0.56967%0.672SS**SBendtrans-90.6-19.9-167.4-58.4174.7000113.1
628Q30.6Very low32.6Very low141 Ų141138 Ų13866%0.65968%0.683SS**SBendtrans-78.7-25.1-176.9-87.3174.7-25.400114.9
629N34.8Very low32.2Very low117 Ų117135.5 Ų135.563%0.62668%0.679SS**SBendtrans-86.1-21.3-179.2-68.7-29.5000113.2L631N629-L631 VanDerWaalsContact C-N 3.34Å
630D31.3Very low32.1Very low105 Ų105135.8 Ų135.856%0.56168%0.68SS**SBendtrans-84.7-6.8-177.6-67.8-15.8000113.1I634D630-I634 VanDerWaalsContact O-CD1 3.28Å; D630-I634 WeakPolarHBondContact O-CD1 3.23Å
631L32.5Very low32Very low106 Ų106136.9 Ų136.956%0.55569%0.686SS**SBendtrans-90.8-23.9-178.4-78.8163.1000113.7N629N629-L631 VanDerWaalsContact C-N 3.34Å
632E33.1Very low31.9Very low151 Ų151136.3 Ų136.371%0.70669%0.694SS**SBendtrans-83.9-18.2-178.7-73.1-174.3161.800113.7
633D36.7Very low31.7Very low130 Ų130132.7 Ų132.770%0.69569%0.688SS**SBendtrans-86.7-10.8-178.7-79-23.8000113.9
634I31.5Very low31.7Very low113 Ų113131.9 Ų131.958%0.57968%0.683SS**G310 helixtrans-89.5-20.1-172.2-63.4174.7000112.8D630 N636D630-I634 VanDerWaalsContact O-CD1 3.28Å; D630-I634 WeakPolarHBondContact O-CD1 3.23Å; I634-N636 VanDerWaalsContact C-N 3.26Å; I634-N636 PolarHBondContact O-N 3.14Å
635E32.8Very low32.3Very low179 Ų179130 Ų13084%0.83668%0.682SS**G310 helixtrans-78.81-179.1-71.8-171.2157.100114.6
636N35Very low32.4Very low133 Ų133126.7 Ų126.771%0.71166%0.664SS**G310 helixtrans-122.811.5-164.7-76.5-48.7000117.7I634I634-N636 VanDerWaalsContact C-N 3.26Å; I634-N636 PolarHBondContact O-N 3.14Å
637Q30.4Very low32.8Very low189 Ų189126.6 Ų126.688%0.88366%0.664SS**  trans-133.5100.9178.5-72.6-171.1-10.600114.3
638D29.3Very low33.4Very low151 Ų151125.7 Ų125.781%0.80766%0.661SS**  trans-72.2134.9159.3-71.1-42.5000110.6
639N27.9Very low33.8Very low138 Ų138120.4 Ų120.474%0.73864%0.638SS**  trans108.9117.7147.1-60.3-45.5000120.4
640E28.6Very low34.1Very low173 Ų173116.6 Ų116.681%0.80862%0.618SS**  trans74.575.8133.4-67.2-178.3175.600118.9
641D28Very low34.9Very low122 Ų122115 Ų11565%0.65261%0.611SS**  trans-168.7107130.5-122.2-24000114.1T643D641-T643 PolarHBondContact O-N 2.84Å; D641-T643 PolarHBondContact O-OG1 3.12Å
642S29.7Very low35.5Very low119 Ų119111.6 Ų111.683%0.83260%0.596SS**SBendtrans9.724.9157.863.40000123.8
643T31.8Very low35.9Very low112 Ų112105.2 Ų105.269%0.68757%0.566SS**  trans-124.44.4179.147.70000113D641D641-T643 PolarHBondContact O-N 2.84Å; D641-T643 PolarHBondContact O-OG1 3.12Å
644D33Very low36.2Very low82 Ų82105.5 Ų105.544%0.43956%0.561SS.*THydrogen-bonded Turntrans-82.7-15.8-164.8-62.9-39.5000115.5L646 D648D644-L646 PolarHBondContact O-N 2.83Å; D644-D648 VanDerWaalsContact O-CB 3.3Å; D644-D648 WeakPolarHBondContact O-CB 3.14Å; D644-D648 PolarHBondContact O-N 3.2Å
645T44Very low37Very low108 Ų108103.3 Ų103.366%0.66356%0.561SS**Hα-helixtrans-68.8-34.3-170.648.40000114.8V649T645-V649 WeakPolarHBondContact O-CG2 3.1Å; T645-V649 PolarHBondContact O-N 3.2Å; T645-V649 VanDerWaalsContact O-N 3.08Å
646L35.9Very low37.4Very low70 Ų7096.1 Ų96.137%0.36653%0.531SS..Hα-helixtrans-76.5-40.6-177.4-173.171.2000112.4L573 D644 D648 V649 L650L573-L646 HydrophobicContact CD1-CD1 3.67Å; L573-L646 HydrophobicContact CD1-CD2 4.38Å; D644-L646 PolarHBondContact O-N 2.83Å; L646-D648 VanDerWaalsContact C-N 3.34Å; L646-V649 PolarHBondContact O-N 2.8Å; L646-L650 HydrophobicContact CG-CD1 4.31Å; L646-L650 WeakPolarHBondContact O-CG 2.95Å; L646-L650 PolarHBondContact O-N 2.67Å
647N41.2Very low37.6Very low108 Ų10892.8 Ų92.858%0.57851%0.513SS*.Hα-helixtrans-67.9-38.6174.2-83.8-23.4000110.2V649 L650 V651N647-V649 VanDerWaalsContact C-N 3.34Å; N647-V649 PolarHBondContact O-N 3.4Å; N647-L650 PolarHBondContact O-N 3.05Å; N647-V651 VanDerWaalsContact O-CB 3.23Å; N647-V651 WeakPolarHBondContact O-CB 3.3Å; N647-V651 WeakPolarHBondContact O-CG2 3.43Å; N647-V651 PolarHBondContact O-N 2.95Å
648D43Very low37.9Very low93 Ų9390.5 Ų90.550%0.49750%0.498SS..Hα-helixtrans-59-43.4173.1-71.2-17.1000112.2D644 L646 C652D644-D648 VanDerWaalsContact O-CB 3.3Å; D644-D648 WeakPolarHBondContact O-CB 3.14Å; D644-D648 PolarHBondContact O-N 3.2Å; L646-D648 VanDerWaalsContact C-N 3.34Å; D648-C652 WeakPolarHBondContact O-CB 3.09Å; D648-C652 PolarHBondContact O-N 2.92Å; D648-C652 PolarHBondContact O-SG 3.35Å
649V40.2Very low38.6Very low29 Ų2986.4 Ų86.418%0.17647%0.473CS..Hα-helixtrans-61.7-50.7175.5177.70000110.7T645 L646 N647 V651 C652 M653 T736T645-V649 WeakPolarHBondContact O-CG2 3.1Å; T645-V649 PolarHBondContact O-N 3.2Å; T645-V649 VanDerWaalsContact O-N 3.08Å; L646-V649 PolarHBondContact O-N 2.8Å; N647-V649 VanDerWaalsContact C-N 3.34Å; N647-V649 PolarHBondContact O-N 3.4Å; V649-V651 VanDerWaalsContact C-N 3.33Å; V649-V651 PolarHBondContact O-N 3.36Å; V649-C652 PolarHBondContact O-N 2.74Å; V649-M653 HydrophobicContact CG1-CG 4.24Å; V649-M653 HydrophobicContact CG1-SD 3.6Å; V649-M653 WeakPolarHBondContact O-CB 3.49Å; V649-M653 WeakPolarHBondContact O-CG 3.12Å; V649-M653 PolarHBondContact O-N 2.81Å; V649-T736 HydrophobicContact CB-CG2 4.07Å; V649-T736 HydrophobicContact CG1-CG2 3.89Å; V649-T736 HydrophobicContact CG2-CG2 3.35Å; V649-T736 WeakPolarHBondContact CG2-OG1 3.21Å
650L41Very low39.1Very low38 Ų3884.3 Ų84.320%0.19947%0.467CS..Hα-helixtrans-65-36.9-178.6-76.1166000112.2Y566 L646 N647 K654Y566-L650 HydrophobicContact CG-CD2 4.3Å; L646-L650 HydrophobicContact CG-CD1 4.31Å; L646-L650 WeakPolarHBondContact O-CG 2.95Å; L646-L650 PolarHBondContact O-N 2.67Å; N647-L650 PolarHBondContact O-N 3.05Å; L650-K654 VanDerWaalsContact O-CB 3.26Å; L650-K654 WeakPolarHBondContact O-CB 3.26Å; L650-K654 WeakPolarHBondContact O-CG 3.31Å; L650-K654 PolarHBondContact O-N 2.86Å
651V47.1Very low39.6Very low71 Ų7181.4 Ų81.443%0.4345%0.454SS..Hα-helixtrans-69.1-45.3175.6169.20000110.3N647 V649 M653 K654 A655N647-V651 VanDerWaalsContact O-CB 3.23Å; N647-V651 WeakPolarHBondContact O-CB 3.3Å; N647-V651 WeakPolarHBondContact O-CG2 3.43Å; N647-V651 PolarHBondContact O-N 2.95Å; V649-V651 VanDerWaalsContact C-N 3.33Å; V649-V651 PolarHBondContact O-N 3.36Å; V651-M653 VanDerWaalsContact C-N 3.33Å; V651-M653 PolarHBondContact O-N 3.43Å; V651-K654 PolarHBondContact O-N 3.34Å; V651-A655 VanDerWaalsContact O-CB 3.22Å; V651-A655 WeakPolarHBondContact O-CB 3.4Å; V651-A655 PolarHBondContact O-N 3.48Å
652C45Very low39.9Very low34 Ų3478.6 Ų78.623%0.2344%0.439CS..Hα-helixtrans-64.4-37.1175.6-760000112.5D648 V649 A656 Y691D648-C652 WeakPolarHBondContact O-CB 3.09Å; D648-C652 PolarHBondContact O-N 2.92Å; D648-C652 PolarHBondContact O-SG 3.35Å; V649-C652 PolarHBondContact O-N 2.74Å; C652-A656 VanDerWaalsContact O-CB 3.23Å; C652-A656 WeakPolarHBondContact O-CB 3.17Å; C652-A656 PolarHBondContact O-N 2.98Å; C652-Y691 HydrophobicContact CB-CE2 4.17Å; C652-Y691 PolarHBondContact SG-OH 3.39Å
653M41.7Very low40.1Very low17 Ų1776.5 Ų76.58%0.08442%0.424CS..Hα-helixtrans-70.6-42.4175.1-71177.6104.700111.8Y566 V649 V651 A656 L657 F739 L740Y566-M653 HydrophobicContact CE1-CE 3.8Å; Y566-M653 HydrophobicContact CE1-SD 4.05Å; Y566-M653 HydrophobicContact CE2-CE 4.35Å; Y566-M653 VanDerWaalsContact CZ-CE 3.47Å; Y566-M653 WeakPolarHBondContact OH-CE 3.49Å; V649-M653 HydrophobicContact CG1-CG 4.24Å; V649-M653 HydrophobicContact CG1-SD 3.6Å; V649-M653 WeakPolarHBondContact O-CB 3.49Å; V649-M653 WeakPolarHBondContact O-CG 3.12Å; V649-M653 PolarHBondContact O-N 2.81Å; V651-M653 VanDerWaalsContact C-N 3.33Å; V651-M653 PolarHBondContact O-N 3.43Å; M653-A656 PolarHBondContact O-N 2.79Å; M653-L657 VanDerWaalsContact O-CB 3.3Å; M653-L657 WeakPolarHBondContact O-CB 3.33Å; M653-L657 WeakPolarHBondContact O-CD1 3.44Å; M653-L657 WeakPolarHBondContact O-CG 3.18Å; M653-L657 PolarHBondContact O-N 3.18Å; M653-F739 HydrophobicContact CE-CD1 4.05Å; M653-F739 HydrophobicContact CE-CE1 3.44Å; M653-F739 VanDerWaalsContact CE-CE1 3.44Å; M653-F739 HydrophobicContact CE-CZ 4.37Å; M653-L740 HydrophobicContact CE-CD2 4.45Å; M653-L740 HydrophobicContact CG-CD2 4.16Å
654K44.3Very low40.1Very low136 Ų13677.5 Ų77.559%0.59143%0.425SS*.Hα-helixtrans-60.7-46172-78.3174.3179.8-178.30110.6L650 V651 A656 L657 Y658L650-K654 VanDerWaalsContact O-CB 3.26Å; L650-K654 WeakPolarHBondContact O-CB 3.26Å; L650-K654 WeakPolarHBondContact O-CG 3.31Å; L650-K654 PolarHBondContact O-N 2.86Å; V651-K654 PolarHBondContact O-N 3.34Å; K654-A656 VanDerWaalsContact C-N 3.33Å; K654-A656 PolarHBondContact O-N 3.18Å; K654-L657 CarbonylContact O-C 3.57Å; K654-L657 PolarHBondContact O-N 3.34Å; K654-Y658 WeakPolarHBondContact O-CB 2.97Å; K654-Y658 PolarHBondContact O-N 3.42Å
655A46.4Very low39.8Very low68 Ų6878.3 Ų78.356%0.56243%0.433SS*.Hα-helixtrans-64-35.3177.100000113V651 L657V651-A655 VanDerWaalsContact O-CB 3.22Å; V651-A655 WeakPolarHBondContact O-CB 3.4Å; V651-A655 PolarHBondContact O-N 3.48Å; A655-L657 VanDerWaalsContact C-N 3.35Å
656A41.4Very low38.9Very low27 Ų2779.4 Ų79.422%0.22343%0.434CS..Hα-helixtrans-73.3-27.2175.300000113C652 M653 K654C652-A656 VanDerWaalsContact O-CB 3.23Å; C652-A656 WeakPolarHBondContact O-CB 3.17Å; C652-A656 PolarHBondContact O-N 2.98Å; M653-A656 PolarHBondContact O-N 2.79Å; K654-A656 VanDerWaalsContact C-N 3.33Å; K654-A656 PolarHBondContact O-N 3.18Å
657L39.1Very low38.5Very low63 Ų6383.8 Ų83.833%0.3346%0.455SS..Hα-helixtrans-91.7-21.3179-70.1169.5000113.3M653 K654 A655 R684M653-L657 VanDerWaalsContact O-CB 3.3Å; M653-L657 WeakPolarHBondContact O-CB 3.33Å; M653-L657 WeakPolarHBondContact O-CD1 3.44Å; M653-L657 WeakPolarHBondContact O-CG 3.18Å; M653-L657 PolarHBondContact O-N 3.18Å; K654-L657 CarbonylContact O-C 3.57Å; K654-L657 PolarHBondContact O-N 3.34Å; A655-L657 VanDerWaalsContact C-N 3.35Å; L657-R684 PolarHBondContact O-NH2 3.05Å
658Y38.5Very low37.8Very low142 Ų14285.2 Ų85.256%0.55746%0.463SS*.  trans-93106.7-178.4-155.2-91.2000109.9K654K654-Y658 WeakPolarHBondContact O-CB 2.97Å; K654-Y658 PolarHBondContact O-N 3.42Å
659H42.4Very low37.1Very low65 Ų6587.7 Ų87.730%0.30148%0.476SS..  trans-98134167.7-164-85.8000108.8E661 D662H659-E661 IonicContact CE1-OE2 2.8Å; H659-E661 WeakPolarHBondContact ND1-CB 3.11Å; H659-E661 PolarHBondContact ND1-N 3.43Å; H659-E661 PolarHBondContact O-N 3.36Å; H659-D662 PolarHBondContact N-OD2 3.27Å; H659-D662 WeakPolarHBondContact O-CB 3.3Å; H659-D662 PolarHBondContact O-N 2.78Å
660P39.5Very low36.6Very low93 Ų9390 Ų9060%0.60449%0.487SS*.THydrogen-bonded Turntrans-63-3.318022.3-31.8000114.9S663P660-S663 PolarHBondContact O-OG 3.4Å
661E38.3Very low36Very low113 Ų11395 Ų9553%0.52851%0.509SS..THydrogen-bonded Turntrans-92.6-16.2171-62.8-169.6163.600113H659 S663 N664 K683H659-E661 IonicContact CE1-OE2 2.8Å; H659-E661 WeakPolarHBondContact ND1-CB 3.11Å; H659-E661 PolarHBondContact ND1-N 3.43Å; H659-E661 PolarHBondContact O-N 3.36Å; E661-S663 PolarHBondContact O-N 2.85Å; E661-N664 PolarHBondContact O-N 3.45Å; E661-K683 IonicContact OE2-NZ 2.76Å; E661-K683 PolarHBondContact OE2-NZ 2.79Å
662D35Very low35.1Very low63 Ų6396.3 Ų96.334%0.33753%0.528SS..G310 helixtrans-65.5-28.4175.6-72.2-25.1000110.9H659 N664 T665 R684H659-D662 PolarHBondContact N-OD2 3.27Å; H659-D662 WeakPolarHBondContact O-CB 3.3Å; H659-D662 PolarHBondContact O-N 2.78Å; D662-N664 VanDerWaalsContact C-N 3.31Å; D662-N664 PolarHBondContact O-N 3.01Å; D662-T665 PolarHBondContact O-N 3.34Å; D662-T665 PolarHBondContact O-OG1 3.12Å; D662-R684 IonicContact OD2-NH2 3.68Å; D662-R684 PolarHBondContact OD2-NH2 3.43Å
663S33.8Very low34.3Very low74 Ų74102.2 Ų102.252%0.51755%0.55SS..G310 helixtrans-75.5-10.2176.245.30000115.1P660 E661P660-S663 PolarHBondContact O-OG 3.4Å; E661-S663 PolarHBondContact O-N 2.85Å
664N30.6Very low33.7Very low134 Ų134107 Ų10772%0.71758%0.576SS**G310 helixtrans-99.30.9173.8-78.5-24.4000112.9E661 D662 I666E661-N664 PolarHBondContact O-N 3.45Å; D662-N664 VanDerWaalsContact C-N 3.31Å; D662-N664 PolarHBondContact O-N 3.01Å; N664-I666 VanDerWaalsContact C-N 3.33Å; N664-I666 PolarHBondContact O-N 2.96Å; N664-I666 VanDerWaalsContact O-N 3.08Å
665T26.8Very low33Very low99 Ų99104.1 Ų104.161%0.60757%0.566SS**  trans-83.380.9174.1-9.20000109D662 I667D662-T665 PolarHBondContact O-N 3.34Å; D662-T665 PolarHBondContact O-OG1 3.12Å; T665-I667 PolarHBondContact O-N 3.42Å; T665-I667 VanDerWaalsContact O-N 3.14Å
666I25.8Very low32.8Very low131 Ų131103.1 Ų103.167%0.67255%0.549SS*.  trans-61.3116.8169.4-55.4174.7000106.8N664 L668N664-I666 VanDerWaalsContact C-N 3.33Å; N664-I666 PolarHBondContact O-N 2.96Å; N664-I666 VanDerWaalsContact O-N 3.08Å; I666-L668 HydrophobicContact CB-CG 4.3Å; I666-L668 HydrophobicContact CG2-CD2 3.81Å; I666-L668 HydrophobicContact CG2-CG 3.69Å; I666-L668 PolarHBondContact O-N 2.98Å
667I27.9Very low32.8Very low161 Ų161102.9 Ų102.983%0.82655%0.545SS*.  trans-67.182.8166-57.3172.9000105.9T665T665-I667 PolarHBondContact O-N 3.42Å; T665-I667 VanDerWaalsContact O-N 3.14Å
668L27.2Very low33.3Very low139 Ų139104.9 Ų104.973%0.72856%0.562SS**  trans-82.4121.7162.6-68.2172.6000105.7I666I666-L668 HydrophobicContact CB-CG 4.3Å; I666-L668 HydrophobicContact CG2-CD2 3.81Å; I666-L668 HydrophobicContact CG2-CG 3.69Å; I666-L668 PolarHBondContact O-N 2.98Å
669D27.5Very low33.9Very low145 Ų145103.6 Ų103.678%0.77556%0.561SS**SBendtrans-40145.9168.4-75-35.2000110.1
670D28.5Very low34.2Very low76 Ų76101.7 Ų101.741%0.40656%0.557SS.*SBendtrans88.831.7154.3-129.4-19.6000118.7E417E417-D670 VanDerWaalsContact CB-CG 3.48Å; E417-D670 WeakPolarHBondContact CB-OD1 3.45Å; E417-D670 WeakPolarHBondContact CB-OD2 3.26Å; E417-D670 WeakPolarHBondContact CG-OD1 3.32Å
671E29.3Very low34.9Very low143 Ų14398.6 Ų98.667%0.66853%0.534SS*.  trans-166.5110156.8-111.2174.3-146.200111.7K673E671-K673 PolarHBondContact O-N 3.41Å; E671-K673 IonicContact OE2-NZ 2.78Å; E671-K673 PolarHBondContact OE2-NZ 2.8Å
672A27.9Very low35.9Very low99 Ų9995.3 Ų95.382%0.81853%0.527SS*.  trans-6958.917700000113.4N674A672-N674 PolarHBondContact O-N 3.47Å
673K28.1Very low37.1Very low159 Ų15996 Ų9669%0.69153%0.527SS*.  trans-81.496.4166.1-82.3173.8178.7143.50109E671E671-K673 PolarHBondContact O-N 3.41Å; E671-K673 IonicContact OE2-NZ 2.78Å; E671-K673 PolarHBondContact OE2-NZ 2.8Å
674N29.1Very low38.2Very low118 Ų11895 Ų9563%0.63151%0.511SS*.  trans56.474.6153.5-62.9-15.4000116.8A672 F676A672-N674 PolarHBondContact O-N 3.47Å; N674-F676 PolarHBondContact O-N 2.71Å
675I30.3Very low39.9Very low74 Ų7489.5 Ų89.538%0.37948%0.482SS..THydrogen-bonded Turntrans-66.5106154-61.5103.1000107.5L556L556-I675 HydrophobicContact CD1-CD1 3.93Å; L556-I675 HydrophobicContact CD2-CB 3.94Å; L556-I675 HydrophobicContact CD2-CD1 3.41Å; L556-I675 VanDerWaalsContact CD2-CD1 3.41Å; L556-I675 HydrophobicContact CD2-CG1 3.41Å; L556-I675 VanDerWaalsContact CD2-CG1 3.41Å; L556-I675 HydrophobicContact CD2-CG2 3.85Å; L556-I675 HydrophobicContact CG-CB 3.93Å; L556-I675 HydrophobicContact CG-CD1 3.72Å; L556-I675 HydrophobicContact CG-CG1 3.89Å; L556-I675 HydrophobicContact CG-CG2 3.9Å
676F42.6Very low42Very low47 Ų4788.3 Ų88.321%0.20647%0.472CS..THydrogen-bonded Turntrans62.587.2-166.7-60.8-57.8000115.6Q555 P559 N674 A680Q555-F676 WeakPolarHBondContact O-CD2 3.12Å; P559-F676 HydrophobicContact CG-CE2 4.22Å; P559-F676 HydrophobicContact CG-CZ 4.23Å; N674-F676 PolarHBondContact O-N 2.71Å; F676-A680 HydrophobicContact CD1-CB 4.26Å
677S41.1Very low43.9Very low22 Ų2284.1 Ų84.115%0.15446%0.457CS..  trans-57.4150163.783.70000110.2E679 A680 K681S677-E679 WeakPolarHBondContact CB-OE2 3.31Å; S677-E679 PolarHBondContact O-N 2.7Å; S677-E679 WeakPolarHBondContact OG-CB 3.14Å; S677-E679 PolarHBondContact OG-N 2.72Å; S677-E679 PolarHBondContact OG-OE2 3.45Å; S677-A680 WeakPolarHBondContact O-CB 3.2Å; S677-A680 PolarHBondContact O-N 3.48Å; S677-A680 PolarHBondContact OG-N 2.8Å; S677-A680 VanDerWaalsContact OG-N 3.16Å; S677-K681 PolarHBondContact O-N 2.71Å; S677-K681 VanDerWaalsContact O-N 3.11Å
678P49.8Very low46Very low105 Ų10576.9 Ų76.968%0.68242%0.42SS*.Hα-helixtrans-49.1-30.3170.2-28.635.4000112.9A682P678-A682 WeakPolarHBondContact O-CB 3.45Å; P678-A682 PolarHBondContact O-N 3.46Å
679E49.9Very low48.4Very low115 Ų11573.7 Ų73.754%0.53740%0.4SS..Hα-helixtrans-70.9-40.9176.1-54.7135.1156.300112.2S677 K681 A682 K683S677-E679 WeakPolarHBondContact CB-OE2 3.31Å; S677-E679 PolarHBondContact O-N 2.7Å; S677-E679 WeakPolarHBondContact OG-CB 3.14Å; S677-E679 PolarHBondContact OG-N 2.72Å; S677-E679 PolarHBondContact OG-OE2 3.45Å; E679-K681 VanDerWaalsContact C-N 3.32Å; E679-K681 PolarHBondContact O-N 3.29Å; E679-A682 PolarHBondContact O-N 2.83Å; E679-K683 WeakPolarHBondContact O-CB 3.23Å; E679-K683 WeakPolarHBondContact O-CG 3.28Å; E679-K683 PolarHBondContact O-N 2.82Å
680A48.8Very low50.8Low26 Ų2672.2 Ų72.222%0.21539%0.386CS..Hα-helixtrans-63-40.417500000111.3F676 S677 K683 R684F676-A680 HydrophobicContact CD1-CB 4.26Å; S677-A680 WeakPolarHBondContact O-CB 3.2Å; S677-A680 PolarHBondContact O-N 3.48Å; S677-A680 PolarHBondContact OG-N 2.8Å; S677-A680 VanDerWaalsContact OG-N 3.16Å; A680-K683 PolarHBondContact O-N 2.89Å; A680-R684 WeakPolarHBondContact O-CG 3.29Å; A680-R684 PolarHBondContact O-N 3Å; A680-R684 VanDerWaalsContact O-N 3.09Å
681K54.7Low53Low27 Ų2771.3 Ų71.312%0.11738%0.378CS..Hα-helixtrans-65.2-42.9174-164.9-177.1-173.8-171.20111.8S677 E679 R684 I685 D750S677-K681 PolarHBondContact O-N 2.71Å; S677-K681 VanDerWaalsContact O-N 3.11Å; E679-K681 VanDerWaalsContact C-N 3.32Å; E679-K681 PolarHBondContact O-N 3.29Å; K681-R684 PolarHBondContact O-N 3.47Å; K681-I685 HydrophobicContact CG-CD1 4.41Å; K681-I685 WeakPolarHBondContact O-CG1 3Å; K681-I685 PolarHBondContact O-N 3.35Å; K681-D750 IonicContact NZ-OD2 2.88Å; K681-D750 PolarHBondContact NZ-OD2 3.44Å
682A59.9Low55.1Low45 Ų4564.5 Ų64.537%0.37235%0.346SS..Hα-helixtrans-63.4-42.3176.400000112.4P678 E679 R684 I685 D686P678-A682 WeakPolarHBondContact O-CB 3.45Å; P678-A682 PolarHBondContact O-N 3.46Å; E679-A682 PolarHBondContact O-N 2.83Å; A682-R684 VanDerWaalsContact C-N 3.33Å; A682-R684 PolarHBondContact O-N 2.96Å; A682-I685 PolarHBondContact O-N 2.89Å; A682-D686 WeakPolarHBondContact O-CB 3.02Å; A682-D686 PolarHBondContact O-N 3.43Å
683K59.4Low57.7Low78 Ų7861.7 Ų61.734%0.33932%0.317SS..Hα-helixtrans-61.2-39.9174.5-75.7-178.9179.8-177.30112E661 E679 A680 D686 A687E661-K683 IonicContact OE2-NZ 2.76Å; E661-K683 PolarHBondContact OE2-NZ 2.79Å; E679-K683 WeakPolarHBondContact O-CB 3.23Å; E679-K683 WeakPolarHBondContact O-CG 3.28Å; E679-K683 PolarHBondContact O-N 2.82Å; A680-K683 PolarHBondContact O-N 2.89Å; K683-D686 PolarHBondContact O-N 2.98Å; K683-A687 WeakPolarHBondContact O-CB 2.96Å; K683-A687 PolarHBondContact O-N 3.16Å
684R56.8Low59.9Low52 Ų5260.8 Ų60.820%0.19632%0.319CS..Hα-helixtrans-66.7-42.3176.2-75.4175.3174.3-170.6-3.3113L657 D662 A680 K681 A682 D686 A687 L688L657-R684 PolarHBondContact O-NH2 3.05Å; D662-R684 IonicContact OD2-NH2 3.68Å; D662-R684 PolarHBondContact OD2-NH2 3.43Å; A680-R684 WeakPolarHBondContact O-CG 3.29Å; A680-R684 PolarHBondContact O-N 3Å; A680-R684 VanDerWaalsContact O-N 3.09Å; K681-R684 PolarHBondContact O-N 3.47Å; A682-R684 VanDerWaalsContact C-N 3.33Å; A682-R684 PolarHBondContact O-N 2.96Å; R684-D686 VanDerWaalsContact C-N 3.32Å; R684-D686 PolarHBondContact O-N 3.49Å; R684-A687 PolarHBondContact O-N 3.22Å; R684-L688 WeakPolarHBondContact O-CB 3.43Å; R684-L688 PolarHBondContact O-N 3.3Å
685I65.8Low62.1Low19 Ų1961 Ų6110%0.09732%0.315CS..Hα-helixtrans-59-46172.9-72168.1000110K681 A682 L688 K689 L744 L747 E748 A751K681-I685 HydrophobicContact CG-CD1 4.41Å; K681-I685 WeakPolarHBondContact O-CG1 3Å; K681-I685 PolarHBondContact O-N 3.35Å; A682-I685 PolarHBondContact O-N 2.89Å; I685-L688 PolarHBondContact O-N 3.38Å; I685-K689 WeakPolarHBondContact O-CB 3.35Å; I685-K689 PolarHBondContact O-N 2.91Å; I685-L744 HydrophobicContact CG2-CD1 4.05Å; I685-L747 HydrophobicContact CD1-CB 4.19Å; I685-L747 HydrophobicContact CG1-CB 3.79Å; I685-E748 HydrophobicContact CD1-CG 4.45Å; I685-E748 HydrophobicContact CG2-CG 3.52Å; I685-A751 HydrophobicContact CD1-CB 3.97Å
686D71.2Confident64.3Low73 Ų7358.5 Ų58.539%0.3930%0.302SS..Hα-helixtrans-63.2-42.2178.6-174.759.3000112.6A682 K683 R684 K689 K690A682-D686 WeakPolarHBondContact O-CB 3.02Å; A682-D686 PolarHBondContact O-N 3.43Å; K683-D686 PolarHBondContact O-N 2.98Å; R684-D686 VanDerWaalsContact C-N 3.32Å; R684-D686 PolarHBondContact O-N 3.49Å; D686-K689 PolarHBondContact O-N 2.92Å; D686-K690 WeakPolarHBondContact O-CB 3.34Å; D686-K690 WeakPolarHBondContact O-CG 3.43Å; D686-K690 PolarHBondContact O-N 2.94Å; D686-K690 IonicContact OD1-NZ 2.67Å; D686-K690 VanDerWaalsContact OD2-CE 3.25Å; D686-K690 WeakPolarHBondContact OD2-CE 3.3Å; D686-K690 IonicContact OD2-NZ 2.83Å; D686-K690 PolarHBondContact OD2-NZ 3.5Å
687A67.1Low66.1Low44 Ų4457.6 Ų57.636%0.36431%0.306SS..Hα-helixtrans-63.6-47.917700000112.3K683 R684 K689 K690 Y691K683-A687 WeakPolarHBondContact O-CB 2.96Å; K683-A687 PolarHBondContact O-N 3.16Å; R684-A687 PolarHBondContact O-N 3.22Å; A687-K689 VanDerWaalsContact C-N 3.33Å; A687-K689 PolarHBondContact O-N 3.11Å; A687-K690 PolarHBondContact O-N 2.94Å; A687-Y691 PolarHBondContact O-N 2.89Å
688L71.5Confident67.9Low9 Ų963.8 Ų63.85%0.04733%0.333CS..Hα-helixtrans-63.8-40.2178.1-175.664000111.4R684 I685 Y691 C692 L740 H743 L744 L747R684-L688 WeakPolarHBondContact O-CB 3.43Å; R684-L688 PolarHBondContact O-N 3.3Å; I685-L688 PolarHBondContact O-N 3.38Å; L688-Y691 WeakPolarHBondContact O-CB 3.37Å; L688-Y691 PolarHBondContact O-N 3.16Å; L688-C692 PolarHBondContact O-N 3.3Å; L688-C692 PolarHBondContact O-SG 3.03Å; L688-C692 VanDerWaalsContact O-SG 3.37Å; L688-L740 HydrophobicContact CD1-CB 4.18Å; L688-L740 HydrophobicContact CD1-CD2 3.84Å; L688-H743 HydrophobicContact CD2-CB 4.48Å; L688-L744 HydrophobicContact CB-CD1 4.22Å; L688-L744 HydrophobicContact CD2-CB 3.74Å; L688-L744 HydrophobicContact CD2-CD1 4.12Å; L688-L744 HydrophobicContact CG-CB 4.14Å; L688-L744 HydrophobicContact CG-CD1 4.22Å; L688-L747 HydrophobicContact CD2-CD1 3.93Å
689K78.2Confident69.2Low71 Ų7165.9 Ų65.931%0.30933%0.331SS..Hα-helixtrans-61.4-47.2175.5-171170.9-162149.20112I685 D686 A687 Y691 C692 I693 F701 L744 E748I685-K689 WeakPolarHBondContact O-CB 3.35Å; I685-K689 PolarHBondContact O-N 2.91Å; D686-K689 PolarHBondContact O-N 2.92Å; A687-K689 VanDerWaalsContact C-N 3.33Å; A687-K689 PolarHBondContact O-N 3.11Å; K689-Y691 VanDerWaalsContact C-N 3.31Å; K689-Y691 PolarHBondContact O-N 2.93Å; K689-C692 PolarHBondContact O-N 3.29Å; K689-I693 HydrophobicContact CG-CD1 3.97Å; K689-I693 WeakPolarHBondContact O-CB 3.03Å; K689-I693 VanDerWaalsContact O-CG1 3.27Å; K689-I693 WeakPolarHBondContact O-CG1 3.29Å; K689-I693 PolarHBondContact O-N 2.88Å; K689-F701 HydrophobicContact CG-CZ 3.96Å; K689-L744 HydrophobicContact CB-CD1 4Å; K689-L744 HydrophobicContact CB-CD2 4.06Å; K689-L744 HydrophobicContact CG-CD2 4.17Å; K689-E748 IonicContact NZ-OE1 3.91Å; K689-E748 PolarHBondContact NZ-OE1 3.21Å
690K76.4Confident70.7Confident114 Ų11464.3 Ų64.350%0.49632%0.324SS..Hα-helixtrans-59.2-41.9174.4-77.6169.1177.3163.50111.7D686 A687 I693 N694D686-K690 WeakPolarHBondContact O-CB 3.34Å; D686-K690 WeakPolarHBondContact O-CG 3.43Å; D686-K690 PolarHBondContact O-N 2.94Å; D686-K690 IonicContact OD1-NZ 2.67Å; D686-K690 VanDerWaalsContact OD2-CE 3.25Å; D686-K690 WeakPolarHBondContact OD2-CE 3.3Å; D686-K690 IonicContact OD2-NZ 2.83Å; D686-K690 PolarHBondContact OD2-NZ 3.5Å; A687-K690 PolarHBondContact O-N 2.94Å; K690-I693 PolarHBondContact O-N 3.26Å; K690-N694 WeakPolarHBondContact O-CB 3.1Å; K690-N694 PolarHBondContact O-N 2.93Å; K690-N694 PolarHBondContact O-ND2 3.3Å
691Y74.9Confident72.5Confident57 Ų5763.8 Ų63.822%0.22432%0.317CS..Hα-helixtrans-62.7-48.7176.9-176.7-87.8000112C652 A687 L688 K689 I693 N694 K695 L740C652-Y691 HydrophobicContact CB-CE2 4.17Å; C652-Y691 PolarHBondContact SG-OH 3.39Å; A687-Y691 PolarHBondContact O-N 2.89Å; L688-Y691 WeakPolarHBondContact O-CB 3.37Å; L688-Y691 PolarHBondContact O-N 3.16Å; K689-Y691 VanDerWaalsContact C-N 3.31Å; K689-Y691 PolarHBondContact O-N 2.93Å; Y691-I693 VanDerWaalsContact C-N 3.34Å; Y691-I693 PolarHBondContact O-N 2.96Å; Y691-N694 PolarHBondContact O-N 3.4Å; Y691-K695 HydrophobicContact CD1-CG 4.39Å; Y691-K695 HydrophobicContact CE1-CG 3.79Å; Y691-K695 PolarHBondContact O-N 2.99Å; Y691-K695 VanDerWaalsContact OH-CE 3.29Å; Y691-K695 WeakPolarHBondContact OH-CE 3.31Å; Y691-L740 HydrophobicContact CD1-CD1 3.72Å; Y691-L740 HydrophobicContact CE1-CD1 3.31Å
692C74.6Confident73.7Confident0 Ų068.2 Ų68.20%034%0.337CS..Hα-helixtrans-61.3-40.5177.2-69.50000112.4L688 K689 K695 L696 F701 L741L688-C692 PolarHBondContact O-N 3.3Å; L688-C692 PolarHBondContact O-SG 3.03Å; L688-C692 VanDerWaalsContact O-SG 3.37Å; K689-C692 PolarHBondContact O-N 3.29Å; C692-K695 PolarHBondContact O-N 3.34Å; C692-L696 WeakPolarHBondContact O-CB 3.36Å; C692-L696 PolarHBondContact O-N 2.95Å; C692-F701 HydrophobicContact CB-CD2 3.68Å; C692-F701 HydrophobicContact CB-CE2 3.71Å; C692-L741 HydrophobicContact CB-CD1 4Å
693I81.1Confident74.8Confident41 Ų4169.2 Ų69.221%0.2134%0.336CS..Hα-helixtrans-63.7-43.5175.4-70.9167.2000110.9K689 K690 Y691 K695 G697 E698 F701K689-I693 HydrophobicContact CG-CD1 3.97Å; K689-I693 WeakPolarHBondContact O-CB 3.03Å; K689-I693 VanDerWaalsContact O-CG1 3.27Å; K689-I693 WeakPolarHBondContact O-CG1 3.29Å; K689-I693 PolarHBondContact O-N 2.88Å; K690-I693 PolarHBondContact O-N 3.26Å; Y691-I693 VanDerWaalsContact C-N 3.34Å; Y691-I693 PolarHBondContact O-N 2.96Å; I693-K695 VanDerWaalsContact C-N 3.31Å; I693-K695 PolarHBondContact O-N 3.5Å; I693-G697 CarbonylContact O-C 3.58Å; I693-G697 VanDerWaalsContact O-CA 3.29Å; I693-G697 WeakPolarHBondContact O-CA 3.39Å; I693-G697 PolarHBondContact O-N 2.77Å; I693-E698 HydrophobicContact CG2-CG 3.64Å; I693-F701 HydrophobicContact CD1-CD1 4.24Å; I693-F701 HydrophobicContact CD1-CE1 4.25Å; I693-F701 HydrophobicContact CG1-CB 4.18Å; I693-F701 HydrophobicContact CG1-CD1 3.65Å; I693-F701 HydrophobicContact CG1-CD2 3.97Å; I693-F701 HydrophobicContact CG1-CE1 4.03Å; I693-F701 HydrophobicContact CG1-CE2 4.32Å; I693-F701 HydrophobicContact CG1-CG 3.64Å; I693-F701 HydrophobicContact CG1-CZ 4.36Å
694N75.5Confident76Confident139 Ų13965.5 Ų65.574%0.74332%0.32SS*.Hα-helixtrans-64.9-33.9178.3-75-13.7000112.6K690 Y691K690-N694 WeakPolarHBondContact O-CB 3.1Å; K690-N694 PolarHBondContact O-N 2.93Å; K690-N694 PolarHBondContact O-ND2 3.3Å; Y691-N694 PolarHBondContact O-N 3.4Å
695K74.3Confident77.3Confident123 Ų12365 Ų6554%0.53532%0.319SS..Hα-helixtrans-79.9-39.9179.4-83.4-71.3-174.2177.50113.9Y691 C692 I693 T737Y691-K695 HydrophobicContact CD1-CG 4.39Å; Y691-K695 HydrophobicContact CE1-CG 3.79Å; Y691-K695 PolarHBondContact O-N 2.99Å; Y691-K695 VanDerWaalsContact OH-CE 3.29Å; Y691-K695 WeakPolarHBondContact OH-CE 3.31Å; C692-K695 PolarHBondContact O-N 3.34Å; I693-K695 VanDerWaalsContact C-N 3.31Å; I693-K695 PolarHBondContact O-N 3.5Å; K695-T737 HydrophobicContact CB-CG2 4.12Å
696L76.7Confident78Confident21 Ų2168.9 Ų68.911%0.1134%0.336CS..Hα-helixtrans-92.7-28.8-176.1-68.3169.4000113.5C692 E700 F701 A704 C732 T737 L741C692-L696 WeakPolarHBondContact O-CB 3.36Å; C692-L696 PolarHBondContact O-N 2.95Å; L696-E700 HydrophobicContact CB-CB 4.05Å; L696-E700 VanDerWaalsContact O-CB 3.3Å; L696-E700 WeakPolarHBondContact O-CB 3.22Å; L696-F701 HydrophobicContact CB-CB 4.24Å; L696-F701 HydrophobicContact CD1-CB 4.32Å; L696-F701 HydrophobicContact CD1-CD2 4.5Å; L696-A704 HydrophobicContact CD1-CB 4.49Å; L696-C732 HydrophobicContact CD2-CB 4.26Å; L696-T737 HydrophobicContact CD1-CG2 3.73Å; L696-T737 HydrophobicContact CD2-CG2 3.49Å; L696-T737 VanDerWaalsContact CD2-CG2 3.49Å; L696-T737 HydrophobicContact CG-CG2 3.39Å; L696-L741 HydrophobicContact CD1-CD1 3.65Å
697G81.1Confident78.6Confident28 Ų2866.8 Ų66.829%0.28932%0.323SS..  trans86.9148.8-157.500000111.2I693 K699 E700 F701I693-G697 CarbonylContact O-C 3.58Å; I693-G697 VanDerWaalsContact O-CA 3.29Å; I693-G697 WeakPolarHBondContact O-CA 3.39Å; I693-G697 PolarHBondContact O-N 2.77Å; G697-K699 VanDerWaalsContact C-N 3.29Å; G697-K699 PolarHBondContact O-N 3.48Å; G697-E700 PolarHBondContact O-N 3.49Å; G697-F701 WeakPolarHBondContact O-CB 3.29Å; G697-F701 PolarHBondContact O-N 3.09Å
698E78.1Confident79.3Confident153 Ų15364.7 Ų64.772%0.71531%0.306SS*.Hα-helixtrans-57.5-39.4-174.6-76.2-173.2160.600113.4I693 H702I693-E698 HydrophobicContact CG2-CG 3.64Å; E698-H702 WeakPolarHBondContact O-CB 3.5Å; E698-H702 PolarHBondContact O-N 3.46Å
699K77.6Confident79.5Confident148 Ų14868.2 Ų68.264%0.64332%0.319SS*.Hα-helixtrans-72.7-46.9-175.4-175.7-174.6178.9-171.70111.2G697 H702 N703G697-K699 VanDerWaalsContact C-N 3.29Å; G697-K699 PolarHBondContact O-N 3.48Å; K699-H702 PolarHBondContact O-N 3Å; K699-N703 VanDerWaalsContact O-CG 3.23Å; K699-N703 PolarHBondContact O-N 3.39Å; K699-N703 PolarHBondContact O-ND2 2.86Å
700E80.8Confident79.4Confident83 Ų8368.6 Ų68.639%0.38832%0.322SS..Hα-helixtrans-66.2-41.6178.1-69.867.1-152.300110.7L696 G697 H702 N703 A704L696-E700 HydrophobicContact CB-CB 4.05Å; L696-E700 VanDerWaalsContact O-CB 3.3Å; L696-E700 WeakPolarHBondContact O-CB 3.22Å; G697-E700 PolarHBondContact O-N 3.49Å; E700-H702 PolarHBondContact O-N 3.49Å; E700-N703 PolarHBondContact O-N 2.9Å; E700-A704 VanDerWaalsContact O-CB 3.28Å; E700-A704 WeakPolarHBondContact O-CB 3.37Å; E700-A704 PolarHBondContact O-N 3.46Å
701F85.9Confident79.2Confident15 Ų1564.9 Ų64.97%0.06631%0.306CS..Hα-helixtrans-54.3-51.6170.6170-95.6000111.6K689 C692 I693 L696 G697 N703 A704 Y705 L741 L744K689-F701 HydrophobicContact CG-CZ 3.96Å; C692-F701 HydrophobicContact CB-CD2 3.68Å; C692-F701 HydrophobicContact CB-CE2 3.71Å; I693-F701 HydrophobicContact CD1-CD1 4.24Å; I693-F701 HydrophobicContact CD1-CE1 4.25Å; I693-F701 HydrophobicContact CG1-CB 4.18Å; I693-F701 HydrophobicContact CG1-CD1 3.65Å; I693-F701 HydrophobicContact CG1-CD2 3.97Å; I693-F701 HydrophobicContact CG1-CE1 4.03Å; I693-F701 HydrophobicContact CG1-CE2 4.32Å; I693-F701 HydrophobicContact CG1-CG 3.64Å; I693-F701 HydrophobicContact CG1-CZ 4.36Å; L696-F701 HydrophobicContact CB-CB 4.24Å; L696-F701 HydrophobicContact CD1-CB 4.32Å; L696-F701 HydrophobicContact CD1-CD2 4.5Å; G697-F701 WeakPolarHBondContact O-CB 3.29Å; G697-F701 PolarHBondContact O-N 3.09Å; F701-N703 VanDerWaalsContact C-N 3.34Å; F701-N703 PolarHBondContact O-N 3.3Å; F701-A704 PolarHBondContact O-N 2.94Å; F701-Y705 HydrophobicContact CZ-CD2 4.12Å; F701-Y705 HydrophobicContact CZ-CG 4.46Å; F701-Y705 WeakPolarHBondContact O-CB 3.23Å; F701-Y705 PolarHBondContact O-N 3.32Å; F701-L741 HydrophobicContact CD2-CD1 3.44Å; F701-L741 VanDerWaalsContact CD2-CD1 3.44Å; F701-L741 HydrophobicContact CE2-CD1 3.59Å; F701-L744 HydrophobicContact CE2-CD2 3.61Å; F701-L744 HydrophobicContact CZ-CD2 3.72Å
702H81.8Confident79.2Confident119 Ų11963.4 Ų63.455%0.55130%0.3SS*.Hα-helixtrans-62.6-41.9-177.6-169.477.2000112.1E698 K699 E700 H706E698-H702 WeakPolarHBondContact O-CB 3.5Å; E698-H702 PolarHBondContact O-N 3.46Å; K699-H702 PolarHBondContact O-N 3Å; E700-H702 PolarHBondContact O-N 3.49Å; H702-H706 VanDerWaalsContact O-CB 3.25Å; H702-H706 WeakPolarHBondContact O-CB 3.37Å; H702-H706 PolarHBondContact O-N 3.05Å
703N82.6Confident78.9Confident66 Ų6665.7 Ų65.735%0.35331%0.312SS..Hα-helixtrans-65.3-46177.6-67.8-27.4000112.1K699 E700 F701 Y707 Y731K699-N703 VanDerWaalsContact O-CG 3.23Å; K699-N703 PolarHBondContact O-N 3.39Å; K699-N703 PolarHBondContact O-ND2 2.86Å; E700-N703 PolarHBondContact O-N 2.9Å; F701-N703 VanDerWaalsContact C-N 3.34Å; F701-N703 PolarHBondContact O-N 3.3Å; N703-Y707 WeakPolarHBondContact O-CB 3.48Å; N703-Y707 PolarHBondContact O-N 2.69Å; N703-Y731 HydrophobicContact CB-CD1 3.54Å; N703-Y731 HydrophobicContact CB-CE1 3.57Å; N703-Y731 HydrophobicContact CB-CG 4.49Å
704A83.4Confident78.4Confident0 Ų069.3 Ų69.30%033%0.331CS..Hα-helixtrans-63.3-44.2178.200000111.5L696 E700 F701 Y707 L708 L728 Y731 L741L696-A704 HydrophobicContact CD1-CB 4.49Å; E700-A704 VanDerWaalsContact O-CB 3.28Å; E700-A704 WeakPolarHBondContact O-CB 3.37Å; E700-A704 PolarHBondContact O-N 3.46Å; F701-A704 PolarHBondContact O-N 2.94Å; A704-Y707 WeakPolarHBondContact O-CB 3.27Å; A704-Y707 PolarHBondContact O-N 3.27Å; A704-L708 PolarHBondContact O-N 3.13Å; A704-L728 HydrophobicContact CB-CD1 4.34Å; A704-Y731 HydrophobicContact CB-CD2 4.47Å; A704-Y731 HydrophobicContact CB-CG 4.07Å; A704-L741 VanDerWaalsContact C-CD2 3.44Å; A704-L741 HydrophobicContact CB-CD2 3.36Å
705Y84.1Confident78.2Confident42 Ų4264.8 Ų64.817%0.16531%0.305CS..Hα-helixtrans-66-45.4-179-178.4-80000110.4F701 Y707 L708 Y709 L744 L745 E748F701-Y705 HydrophobicContact CZ-CD2 4.12Å; F701-Y705 HydrophobicContact CZ-CG 4.46Å; F701-Y705 WeakPolarHBondContact O-CB 3.23Å; F701-Y705 PolarHBondContact O-N 3.32Å; Y705-Y707 VanDerWaalsContact C-N 3.32Å; Y705-Y707 PolarHBondContact O-N 2.67Å; Y705-L708 PolarHBondContact O-N 2.88Å; Y705-Y709 HydrophobicContact CE1-CD2 4.27Å; Y705-Y709 VanDerWaalsContact O-CB 3.29Å; Y705-Y709 WeakPolarHBondContact O-CB 3.49Å; Y705-Y709 PolarHBondContact O-N 3.22Å; Y705-L744 HydrophobicContact CD2-CD2 4.38Å; Y705-L744 HydrophobicContact CE2-CD2 4.43Å; Y705-L744 HydrophobicContact CE2-CG 4.5Å; Y705-L745 HydrophobicContact CE1-CD1 4.31Å; Y705-L745 HydrophobicContact CE2-CB 4.36Å; Y705-L745 HydrophobicContact CE2-CD1 4.08Å; Y705-E748 WeakPolarHBondContact CE2-OE2 3.38Å; Y705-E748 PolarHBondContact OH-OE2 2.81Å
706H81.5Confident77.7Confident100 Ų10065 Ų6546%0.46331%0.312SS..Hα-helixtrans-62.2-40.4176.7-173.3-77000111.7H702 Y709 Q710H702-H706 VanDerWaalsContact O-CB 3.25Å; H702-H706 WeakPolarHBondContact O-CB 3.37Å; H702-H706 PolarHBondContact O-N 3.05Å; H706-Y709 PolarHBondContact O-N 3.15Å; H706-Q710 WeakPolarHBondContact O-CB 3.45Å; H706-Q710 PolarHBondContact O-N 3.37Å
707Y84.3Confident77.1Confident29 Ų2968 Ų6811%0.11433%0.328CS..Hα-helixtrans-59.6-50174172.4-91.5000111.9N703 A704 Y705 Q710 K711 T723 I724 G727 L728 Y731N703-Y707 WeakPolarHBondContact O-CB 3.48Å; N703-Y707 PolarHBondContact O-N 2.69Å; A704-Y707 WeakPolarHBondContact O-CB 3.27Å; A704-Y707 PolarHBondContact O-N 3.27Å; Y705-Y707 VanDerWaalsContact C-N 3.32Å; Y705-Y707 PolarHBondContact O-N 2.67Å; Y707-Q710 PolarHBondContact O-N 2.82Å; Y707-K711 HydrophobicContact CD2-CG 4.41Å; Y707-K711 HydrophobicContact CE1-CG 4.05Å; Y707-K711 HydrophobicContact CE2-CG 3.93Å; Y707-K711 WeakPolarHBondContact O-CG 3.07Å; Y707-K711 PolarHBondContact O-N 2.95Å; Y707-T723 PolarHBondContact OH-O 3.24Å; Y707-I724 HydrophobicContact CE1-CG2 4.29Å; Y707-I724 WeakPolarHBondContact CE1-O 3.18Å; Y707-I724 VanDerWaalsContact OH-CA 3.29Å; Y707-I724 WeakPolarHBondContact OH-CA 3.41Å; Y707-I724 PolarHBondContact OH-O 3.15Å; Y707-I724 VanDerWaalsContact OH-O 3.05Å; Y707-G727 VanDerWaalsContact CZ-CA 3.49Å; Y707-G727 VanDerWaalsContact OH-CA 3.29Å; Y707-G727 WeakPolarHBondContact OH-CA 3.36Å; Y707-L728 HydrophobicContact CD1-CD1 4.22Å; Y707-L728 HydrophobicContact CE1-CB 4.34Å; Y707-Y731 HydrophobicContact CD1-CE2 4.3Å; Y707-Y731 AromaticContact CD2-CE2 3.95Å; Y707-Y731 HydrophobicContact CD2-CE2 3.95Å; Y707-Y731 HydrophobicContact CG-CD2 4.36Å; Y707-Y731 AromaticContact CG-CE2 3.7Å; Y707-Y731 HydrophobicContact CG-CE2 3.7Å
708L79.9Confident75.7Confident1 Ų174.5 Ų74.51%0.00535%0.351CS..Hα-helixtrans-64.1-42.7177.2-73.4-174.8000112.2A704 Y705 Q710 K711 R712 I724 L728 L741 D742 L745A704-L708 PolarHBondContact O-N 3.13Å; Y705-L708 PolarHBondContact O-N 2.88Å; L708-Q710 VanDerWaalsContact C-N 3.29Å; L708-Q710 PolarHBondContact O-N 3.19Å; L708-K711 PolarHBondContact O-N 3.28Å; L708-R712 WeakPolarHBondContact O-CB 3.36Å; L708-R712 PolarHBondContact O-N 3.45Å; L708-I724 HydrophobicContact CD2-CG2 3.76Å; L708-L728 HydrophobicContact CD1-CD1 3.92Å; L708-L728 HydrophobicContact CD1-CD2 4.34Å; L708-L728 HydrophobicContact CD2-CD1 3.77Å; L708-L728 HydrophobicContact CD2-CD2 4.18Å; L708-L728 HydrophobicContact CD2-CG 4.45Å; L708-L728 HydrophobicContact CG-CD1 3.61Å; L708-L741 HydrophobicContact CD1-CB 4.15Å; L708-L741 HydrophobicContact CD1-CD2 3.76Å; L708-L741 HydrophobicContact CD1-CG 4.32Å; L708-L741 HydrophobicContact CG-CD2 4.4Å; L708-D742 HydrophobicContact CD1-CB 4.03Å; L708-L745 HydrophobicContact CB-CD2 3.7Å
709Y76.4Confident74.6Confident82 Ų8268.3 Ų68.332%0.32232%0.324SS..Iπ-helixtrans-58.2-44.2176.4-173.9-86.9000110.8Y705 H706 I713 L714 L745Y705-Y709 HydrophobicContact CE1-CD2 4.27Å; Y705-Y709 VanDerWaalsContact O-CB 3.29Å; Y705-Y709 WeakPolarHBondContact O-CB 3.49Å; Y705-Y709 PolarHBondContact O-N 3.22Å; H706-Y709 PolarHBondContact O-N 3.15Å; Y709-I713 HydrophobicContact CD2-CB 4.27Å; Y709-I713 HydrophobicContact CD2-CG1 4.01Å; Y709-I713 HydrophobicContact CE2-CB 4.22Å; Y709-I713 HydrophobicContact CE2-CG1 4.19Å; Y709-I713 HydrophobicContact CE2-CG2 4.12Å; Y709-I713 HydrophobicContact CG-CB 4.43Å; Y709-I713 HydrophobicContact CG-CG1 4.46Å; Y709-I713 WeakPolarHBondContact O-CA 3.44Å; Y709-I713 VanDerWaalsContact O-CB 3.23Å; Y709-I713 WeakPolarHBondContact O-CB 3.35Å; Y709-I713 PolarHBondContact O-N 2.98Å; Y709-L714 HydrophobicContact CD1-CD1 4.11Å; Y709-L714 HydrophobicContact CD1-CG 3.98Å; Y709-L714 HydrophobicContact CE1-CD1 4.08Å; Y709-L714 HydrophobicContact CE1-CD2 3.91Å; Y709-L714 HydrophobicContact CE1-CG 3.77Å; Y709-L714 PolarHBondContact O-N 3.11Å; Y709-L745 HydrophobicContact CD2-CD1 3.67Å; Y709-L745 HydrophobicContact CG-CD1 4.36Å
710Q75.7Confident73.6Confident79 Ų7963.3 Ų63.337%0.36932%0.315SS..Iπ-helixtrans-62.9-47.9175.9-175.5177.7-1100111.9H706 Y707 L708 L714 E715H706-Q710 WeakPolarHBondContact O-CB 3.45Å; H706-Q710 PolarHBondContact O-N 3.37Å; Y707-Q710 PolarHBondContact O-N 2.82Å; L708-Q710 VanDerWaalsContact C-N 3.29Å; L708-Q710 PolarHBondContact O-N 3.19Å; Q710-L714 HydrophobicContact CB-CD1 4.47Å; Q710-L714 HydrophobicContact CG-CD1 4.46Å; Q710-L714 WeakPolarHBondContact O-CB 3.34Å; Q710-L714 PolarHBondContact O-N 3.24Å; Q710-E715 WeakPolarHBondContact O-CB 3.33Å; Q710-E715 WeakPolarHBondContact O-CG 3.46Å; Q710-E715 PolarHBondContact O-N 2.93Å
711K74Confident72.7Confident36 Ų3661.9 Ų61.916%0.15731%0.308CS..Iπ-helixtrans-73.9-40.8-175.9-68.3-49.1-170.5-179.20114.4Y707 L708 E715 N717 S719 I724Y707-K711 HydrophobicContact CD2-CG 4.41Å; Y707-K711 HydrophobicContact CE1-CG 4.05Å; Y707-K711 HydrophobicContact CE2-CG 3.93Å; Y707-K711 WeakPolarHBondContact O-CG 3.07Å; Y707-K711 PolarHBondContact O-N 2.95Å; L708-K711 PolarHBondContact O-N 3.28Å; K711-E715 VanDerWaalsContact CD-CD 3.5Å; K711-E715 WeakPolarHBondContact CD-OE1 3.31Å; K711-E715 WeakPolarHBondContact CD-OE2 3.47Å; K711-E715 IonicContact NZ-OE1 3.35Å; K711-E715 PolarHBondContact NZ-OE1 3.43Å; K711-E715 IonicContact NZ-OE2 2.86Å; K711-E715 PolarHBondContact NZ-OE2 2.89Å; K711-N717 PolarHBondContact O-N 2.87Å; K711-N717 VanDerWaalsContact O-N 3.16Å; K711-S719 PolarHBondContact NZ-OG 3.43Å; K711-I724 HydrophobicContact CB-CD1 4.04Å; K711-I724 HydrophobicContact CB-CG1 3.95Å; K711-I724 HydrophobicContact CB-CG2 4.28Å; K711-I724 HydrophobicContact CG-CG1 4.39Å
712R73.5Confident71.3Confident27 Ų2765.6 Ų65.610%0.10233%0.328CS..Iπ-helixtrans-88.9-40.6-177-63.6-153.1-179.6-78.48.8113.6Y598 L708 N716 N717 E721 I724 D742 L745Y598-R712 PolarHBondContact OH-NH2 2.69Å; L708-R712 WeakPolarHBondContact O-CB 3.36Å; L708-R712 PolarHBondContact O-N 3.45Å; R712-N716 WeakPolarHBondContact O-CA 3.35Å; R712-N717 WeakPolarHBondContact CA-OD1 3.36Å; R712-N717 WeakPolarHBondContact CG-OD1 3.47Å; R712-N717 PolarHBondContact NH1-OD1 3.46Å; R712-E721 IonicContact CZ-OE1 3.34Å; R712-E721 IonicContact CZ-OE2 3.6Å; R712-E721 IonicContact NH1-OE1 2.67Å; R712-E721 IonicContact NH1-OE2 3.54Å; R712-E721 PolarHBondContact NH1-OE2 3.34Å; R712-E721 IonicContact NH2-OE1 3.21Å; R712-E721 PolarHBondContact NH2-OE1 2.78Å; R712-E721 IonicContact NH2-OE2 2.74Å; R712-I724 HydrophobicContact CG-CD1 4.37Å; R712-D742 WeakPolarHBondContact CD-OD1 3.14Å; R712-D742 IonicContact CZ-OD1 2.69Å; R712-D742 IonicContact CZ-OD2 3.05Å; R712-D742 IonicContact NE-OD1 2.79Å; R712-D742 PolarHBondContact NE-OD1 2.95Å; R712-D742 IonicContact NE-OD2 3.86Å; R712-D742 PolarHBondContact NE-OD2 3.41Å; R712-D742 IonicContact NH2-OD1 3.88Å; R712-D742 IonicContact NH2-OD2 3.66Å; R712-D742 PolarHBondContact NH2-OD2 2.96Å; R712-L745 HydrophobicContact CB-CD2 4.08Å; R712-L745 HydrophobicContact CG-CD2 4.47Å
713I69.1Low70.6Confident48 Ų4863.6 Ų63.625%0.24633%0.325CS..Iπ-helixtrans-96-55.9-174.7-51.4-56.6000111.7Y709 N716 L745 N749Y709-I713 HydrophobicContact CD2-CB 4.27Å; Y709-I713 HydrophobicContact CD2-CG1 4.01Å; Y709-I713 HydrophobicContact CE2-CB 4.22Å; Y709-I713 HydrophobicContact CE2-CG1 4.19Å; Y709-I713 HydrophobicContact CE2-CG2 4.12Å; Y709-I713 HydrophobicContact CG-CB 4.43Å; Y709-I713 HydrophobicContact CG-CG1 4.46Å; Y709-I713 WeakPolarHBondContact O-CA 3.44Å; Y709-I713 VanDerWaalsContact O-CB 3.23Å; Y709-I713 WeakPolarHBondContact O-CB 3.35Å; Y709-I713 PolarHBondContact O-N 2.98Å; I713-N716 PolarHBondContact O-N 3.45Å; I713-L745 HydrophobicContact CG1-CD1 4.13Å; I713-L745 HydrophobicContact CG1-CD2 4.33Å; I713-L745 HydrophobicContact CG1-CG 4.4Å; I713-N749 HydrophobicContact CD1-CB 4.19Å; I713-N749 VanDerWaalsContact CD1-ND2 3.27Å; I713-N749 WeakPolarHBondContact CD1-ND2 3.49Å
714L69.3Low69.9Low116 Ų11660.4 Ų60.461%0.60731%0.308SS*.Iπ-helixtrans-73.2-42.9-175.4-63.2177.9000112.9Y709 Q710 N716Y709-L714 HydrophobicContact CD1-CD1 4.11Å; Y709-L714 HydrophobicContact CD1-CG 3.98Å; Y709-L714 HydrophobicContact CE1-CD1 4.08Å; Y709-L714 HydrophobicContact CE1-CD2 3.91Å; Y709-L714 HydrophobicContact CE1-CG 3.77Å; Y709-L714 PolarHBondContact O-N 3.11Å; Q710-L714 HydrophobicContact CB-CD1 4.47Å; Q710-L714 HydrophobicContact CG-CD1 4.46Å; Q710-L714 WeakPolarHBondContact O-CB 3.34Å; Q710-L714 PolarHBondContact O-N 3.24Å; L714-N716 VanDerWaalsContact C-N 3.31Å
715E73Confident69.1Low45 Ų4562.4 Ų62.421%0.2132%0.318CS..SBendtrans-86.5-1176.7-67.4178-159.300112.6Q710 K711 N717 Q718 S719Q710-E715 WeakPolarHBondContact O-CB 3.33Å; Q710-E715 WeakPolarHBondContact O-CG 3.46Å; Q710-E715 PolarHBondContact O-N 2.93Å; K711-E715 VanDerWaalsContact CD-CD 3.5Å; K711-E715 WeakPolarHBondContact CD-OE1 3.31Å; K711-E715 WeakPolarHBondContact CD-OE2 3.47Å; K711-E715 IonicContact NZ-OE1 3.35Å; K711-E715 PolarHBondContact NZ-OE1 3.43Å; K711-E715 IonicContact NZ-OE2 2.86Å; K711-E715 PolarHBondContact NZ-OE2 2.89Å; E715-N717 VanDerWaalsContact C-N 3.28Å; E715-N717 PolarHBondContact O-N 3.45Å; E715-Q718 WeakPolarHBondContact O-CB 3.38Å; E715-Q718 WeakPolarHBondContact O-CG 3.36Å; E715-Q718 PolarHBondContact O-N 3.32Å; E715-S719 PolarHBondContact OE2-OG 2.95Å
716N63.5Low68.2Low127 Ų12763.8 Ų63.868%0.67933%0.328SS*.THydrogen-bonded Turntrans48.845.5178.4-164.938.8000113.5R712 I713 L714 Q718R712-N716 WeakPolarHBondContact O-CA 3.35Å; I713-N716 PolarHBondContact O-N 3.45Å; L714-N716 VanDerWaalsContact C-N 3.31Å; N716-Q718 PolarHBondContact O-N 3.33Å
717N63.4Low67.9Low83 Ų8359.8 Ų59.844%0.44431%0.314SS..THydrogen-bonded Turntrans57.225.5-176.4-61.8-44.8000114.7K711 R712 E715 S719K711-N717 PolarHBondContact O-N 2.87Å; K711-N717 VanDerWaalsContact O-N 3.16Å; R712-N717 WeakPolarHBondContact CA-OD1 3.36Å; R712-N717 WeakPolarHBondContact CG-OD1 3.47Å; R712-N717 PolarHBondContact NH1-OD1 3.46Å; E715-N717 VanDerWaalsContact C-N 3.28Å; E715-N717 PolarHBondContact O-N 3.45Å; N717-S719 PolarHBondContact O-N 2.83Å
718Q51Low67.5Low166 Ų16658.9 Ų58.978%0.77631%0.311SS*.  trans-64.6-30.1174.7-77.8174.48.500112.8E715 N716E715-Q718 WeakPolarHBondContact O-CB 3.38Å; E715-Q718 WeakPolarHBondContact O-CG 3.36Å; E715-Q718 PolarHBondContact O-N 3.32Å; N716-Q718 PolarHBondContact O-N 3.33Å
719S56.3Low67Low22 Ų2262.2 Ų62.215%0.15433%0.325CS..SBendtrans-75.4120.5168.6-66.50000108.5K711 E715 N717 I724K711-S719 PolarHBondContact NZ-OG 3.43Å; E715-S719 PolarHBondContact OE2-OG 2.95Å; N717-S719 PolarHBondContact O-N 2.83Å; S719-I724 VanDerWaalsContact O-CD1 3.31Å; S719-I724 WeakPolarHBondContact O-CD1 3.44Å; S719-I724 WeakPolarHBondContact O-CG1 3.21Å
720G55.1Low67Low43 Ų4363 Ų6344%0.44334%0.342SS..  trans-56.7153.1-179.800000112.8L722 T723 I724G720-L722 PolarHBondContact O-N 2.85Å; G720-L722 VanDerWaalsContact O-N 3.11Å; G720-T723 WeakPolarHBondContact O-CA 3.47Å; G720-T723 VanDerWaalsContact O-CB 3.27Å; G720-T723 WeakPolarHBondContact O-CB 3.29Å; G720-T723 PolarHBondContact O-N 3.25Å; G720-I724 PolarHBondContact O-N 3.46Å; G720-I724 VanDerWaalsContact O-N 3.15Å
721E63Low67.1Low53 Ų5363.2 Ų63.225%0.24834%0.34CS..Hα-helixtrans-53.7-38.5-171.8-166.264.6-166.900112.9R712 T723 I724 L725R712-E721 IonicContact CZ-OE1 3.34Å; R712-E721 IonicContact CZ-OE2 3.6Å; R712-E721 IonicContact NH1-OE1 2.67Å; R712-E721 IonicContact NH1-OE2 3.54Å; R712-E721 PolarHBondContact NH1-OE2 3.34Å; R712-E721 IonicContact NH2-OE1 3.21Å; R712-E721 PolarHBondContact NH2-OE1 2.78Å; R712-E721 IonicContact NH2-OE2 2.74Å; E721-T723 VanDerWaalsContact C-N 3.31Å; E721-T723 PolarHBondContact O-N 3.47Å; E721-I724 PolarHBondContact O-N 3Å; E721-L725 HydrophobicContact CG-CD1 4.1Å; E721-L725 HydrophobicContact CG-CG 4.48Å; E721-L725 WeakPolarHBondContact O-CB 3.32Å; E721-L725 WeakPolarHBondContact O-CG 3.49Å; E721-L725 PolarHBondContact O-N 2.66Å
722L56.2Low67Low93 Ų9362 Ų6249%0.48734%0.336SS..Hα-helixtrans-62.1-36.8175.7-17365.3000112.8G720 N726G720-L722 PolarHBondContact O-N 2.85Å; G720-L722 VanDerWaalsContact O-N 3.11Å; L722-N726 WeakPolarHBondContact O-CB 3.27Å; L722-N726 PolarHBondContact O-N 3.42Å; L722-N726 PolarHBondContact O-ND2 3.08Å
723T66.8Low66.6Low77 Ų7765.7 Ų65.747%0.47237%0.366SS..Hα-helixtrans-69.3-40.5176.4-54.60000111Y707 G720 E721 G727Y707-T723 PolarHBondContact OH-O 3.24Å; G720-T723 WeakPolarHBondContact O-CA 3.47Å; G720-T723 VanDerWaalsContact O-CB 3.27Å; G720-T723 WeakPolarHBondContact O-CB 3.29Å; G720-T723 PolarHBondContact O-N 3.25Å; E721-T723 VanDerWaalsContact C-N 3.31Å; E721-T723 PolarHBondContact O-N 3.47Å; T723-G727 PolarHBondContact O-N 3.05Å; T723-G727 VanDerWaalsContact O-N 3.12Å
724I68.9Low66.2Low0 Ų066 Ų660%037%0.368CS..Hα-helixtrans-63-51.1176.4-58-175.9000109.8Y707 L708 K711 R712 S719 G720 E721 N726 G727 L728Y707-I724 HydrophobicContact CE1-CG2 4.29Å; Y707-I724 WeakPolarHBondContact CE1-O 3.18Å; Y707-I724 VanDerWaalsContact OH-CA 3.29Å; Y707-I724 WeakPolarHBondContact OH-CA 3.41Å; Y707-I724 PolarHBondContact OH-O 3.15Å; Y707-I724 VanDerWaalsContact OH-O 3.05Å; L708-I724 HydrophobicContact CD2-CG2 3.76Å; K711-I724 HydrophobicContact CB-CD1 4.04Å; K711-I724 HydrophobicContact CB-CG1 3.95Å; K711-I724 HydrophobicContact CB-CG2 4.28Å; K711-I724 HydrophobicContact CG-CG1 4.39Å; R712-I724 HydrophobicContact CG-CD1 4.37Å; S719-I724 VanDerWaalsContact O-CD1 3.31Å; S719-I724 WeakPolarHBondContact O-CD1 3.44Å; S719-I724 WeakPolarHBondContact O-CG1 3.21Å; G720-I724 PolarHBondContact O-N 3.46Å; G720-I724 VanDerWaalsContact O-N 3.15Å; E721-I724 PolarHBondContact O-N 3Å; I724-N726 PolarHBondContact O-N 3.27Å; I724-G727 PolarHBondContact O-N 2.84Å; I724-L728 PolarHBondContact O-N 2.63Å
725L66.1Low65.6Low42 Ų4264.2 Ų64.222%0.2236%0.362CS..Hα-helixtrans-63.7-40.1179.8-67.6172.3000112.1M594 E721 G727 L728 K729M594-L725 HydrophobicContact CE-CD2 4.19Å; M594-L725 HydrophobicContact CG-CD1 4.48Å; E721-L725 HydrophobicContact CG-CD1 4.1Å; E721-L725 HydrophobicContact CG-CG 4.48Å; E721-L725 WeakPolarHBondContact O-CB 3.32Å; E721-L725 WeakPolarHBondContact O-CG 3.49Å; E721-L725 PolarHBondContact O-N 2.66Å; L725-G727 VanDerWaalsContact C-N 3.34Å; L725-G727 PolarHBondContact O-N 3.4Å; L725-L728 PolarHBondContact O-N 2.68Å; L725-K729 WeakPolarHBondContact O-CG 3.48Å; L725-K729 PolarHBondContact O-N 2.8Å; L725-K729 VanDerWaalsContact O-N 3.08Å
726N66.1Low64.7Low71 Ų7163.9 Ų63.938%0.3836%0.363SS..Hα-helixtrans-64.8-34.8177.4-80.6-25.5000113.4L722 I724 K729L722-N726 WeakPolarHBondContact O-CB 3.27Å; L722-N726 PolarHBondContact O-N 3.42Å; L722-N726 PolarHBondContact O-ND2 3.08Å; I724-N726 PolarHBondContact O-N 3.27Å; N726-K729 WeakPolarHBondContact OD1-CE 3.23Å; N726-K729 PolarHBondContact OD1-NZ 2.82Å
727G73.7Confident64.7Low15 Ų1557.9 Ų57.916%0.15533%0.331CS..Hα-helixtrans-77-30.1172.800000112.7Y707 T723 I724 L725 K729 C730 Y731Y707-G727 VanDerWaalsContact CZ-CA 3.49Å; Y707-G727 VanDerWaalsContact OH-CA 3.29Å; Y707-G727 WeakPolarHBondContact OH-CA 3.36Å; T723-G727 PolarHBondContact O-N 3.05Å; T723-G727 VanDerWaalsContact O-N 3.12Å; I724-G727 PolarHBondContact O-N 2.84Å; L725-G727 VanDerWaalsContact C-N 3.34Å; L725-G727 PolarHBondContact O-N 3.4Å; G727-K729 VanDerWaalsContact C-N 3.26Å; G727-K729 PolarHBondContact O-N 2.86Å; G727-C730 VanDerWaalsContact O-CB 3.27Å; G727-C730 WeakPolarHBondContact O-CB 3.15Å; G727-C730 PolarHBondContact O-N 2.49Å; G727-Y731 VanDerWaalsContact O-CD2 3.26Å; G727-Y731 WeakPolarHBondContact O-CD2 3.25Å; G727-Y731 WeakPolarHBondContact O-CE2 3.22Å
728L76.2Confident65Low10 Ų1054.2 Ų54.25%0.05231%0.312CS..Hα-helixtrans-64-32.5174.5-161.765.5000112.3A704 Y707 L708 I724 L725 C730 Y731 C732 L741A704-L728 HydrophobicContact CB-CD1 4.34Å; Y707-L728 HydrophobicContact CD1-CD1 4.22Å; Y707-L728 HydrophobicContact CE1-CB 4.34Å; L708-L728 HydrophobicContact CD1-CD1 3.92Å; L708-L728 HydrophobicContact CD1-CD2 4.34Å; L708-L728 HydrophobicContact CD2-CD1 3.77Å; L708-L728 HydrophobicContact CD2-CD2 4.18Å; L708-L728 HydrophobicContact CD2-CG 4.45Å; L708-L728 HydrophobicContact CG-CD1 3.61Å; I724-L728 PolarHBondContact O-N 2.63Å; L725-L728 PolarHBondContact O-N 2.68Å; L728-C730 PolarHBondContact O-N 2.79Å; L728-C730 VanDerWaalsContact O-N 3.12Å; L728-Y731 PolarHBondContact O-N 2.81Å; L728-C732 PolarHBondContact O-N 3.24Å; L728-L741 HydrophobicContact CD1-CD2 4.4Å
729K69.5Low65.6Low71 Ų7148.2 Ų48.231%0.30928%0.284SS..THydrogen-bonded Turntrans-57-22.5171.7-69.8173.1-168.9175.30113.8F587 L725 N726 G727 Y731F587-K729 HydrophobicContact CB-CD 4.45Å; F587-K729 VanDerWaalsContact CB-CE 3.45Å; F587-K729 VanDerWaalsContact CB-NZ 3.26Å; F587-K729 HydrophobicContact CD1-CD 4.19Å; F587-K729 HydrophobicContact CD1-CG 4.27Å; F587-K729 HydrophobicContact CD2-CD 4.35Å; F587-K729 HydrophobicContact CE1-CD 4.37Å; F587-K729 HydrophobicContact CE1-CG 3.95Å; F587-K729 HydrophobicContact CE2-CG 4.39Å; F587-K729 HydrophobicContact CG-CD 4.15Å; F587-K729 HydrophobicContact CZ-CG 4.04Å; L725-K729 WeakPolarHBondContact O-CG 3.48Å; L725-K729 PolarHBondContact O-N 2.8Å; L725-K729 VanDerWaalsContact O-N 3.08Å; N726-K729 WeakPolarHBondContact OD1-CE 3.23Å; N726-K729 PolarHBondContact OD1-NZ 2.82Å; G727-K729 VanDerWaalsContact C-N 3.26Å; G727-K729 PolarHBondContact O-N 2.86Å; K729-Y731 PolarHBondContact O-N 3.47Å
730C77.2Confident66.1Low100 Ų10047.4 Ų47.468%0.67628%0.278SS*.THydrogen-bonded Turntrans-72.9-12.7176-61.50000112.9G727 L728G727-C730 VanDerWaalsContact O-CB 3.27Å; G727-C730 WeakPolarHBondContact O-CB 3.15Å; G727-C730 PolarHBondContact O-N 2.49Å; L728-C730 PolarHBondContact O-N 2.79Å; L728-C730 VanDerWaalsContact O-N 3.12Å
731Y77.4Confident67.1Low83 Ų8345.3 Ų45.333%0.32526%0.256SS..THydrogen-bonded Turntrans-125-28.5-174.3-48.5-77.1000113.9N703 A704 Y707 G727 L728 K729N703-Y731 HydrophobicContact CB-CD1 3.54Å; N703-Y731 HydrophobicContact CB-CE1 3.57Å; N703-Y731 HydrophobicContact CB-CG 4.49Å; A704-Y731 HydrophobicContact CB-CD2 4.47Å; A704-Y731 HydrophobicContact CB-CG 4.07Å; Y707-Y731 HydrophobicContact CD1-CE2 4.3Å; Y707-Y731 AromaticContact CD2-CE2 3.95Å; Y707-Y731 HydrophobicContact CD2-CE2 3.95Å; Y707-Y731 HydrophobicContact CG-CD2 4.36Å; Y707-Y731 AromaticContact CG-CE2 3.7Å; Y707-Y731 HydrophobicContact CG-CE2 3.7Å; G727-Y731 VanDerWaalsContact O-CD2 3.26Å; G727-Y731 WeakPolarHBondContact O-CD2 3.25Å; G727-Y731 WeakPolarHBondContact O-CE2 3.22Å; L728-Y731 PolarHBondContact O-N 2.81Å; K729-Y731 PolarHBondContact O-N 3.47Å
732C72.1Confident67.5Low10 Ų1043.6 Ų43.67%0.06825%0.249CC..  trans-108.9130.6179.9-57.60000111.3L696 L728L696-C732 HydrophobicContact CD2-CB 4.26Å; L728-C732 PolarHBondContact O-N 3.24Å
733S64.9Low68.3Low105 Ų10540.6 Ų40.673%0.73423%0.232SC*.SBendtrans-75.6-22.9176.945.10000113.9
734D60.9Low68.8Low55 Ų5537 Ų3729%0.29421%0.21SC..SBendtrans-140.8152.1-174.966.294.8000111.3T736 T737 G738D734-T736 VanDerWaalsContact C-N 3.29Å; D734-T736 PolarHBondContact O-N 3.33Å; D734-T736 VanDerWaalsContact OD1-CB 3.25Å; D734-T736 WeakPolarHBondContact OD1-CB 3.19Å; D734-T736 PolarHBondContact OD1-N 2.91Å; D734-T737 WeakPolarHBondContact OD1-CB 2.99Å; D734-T737 PolarHBondContact OD1-N 2.97Å; D734-T737 PolarHBondContact OD1-OG1 3.02Å; D734-T737 PolarHBondContact OD2-OG1 3.35Å; D734-G738 PolarHBondContact O-N 2.95Å
735V56.7Low69.1Low77 Ų7737.1 Ų37.147%0.46721%0.211SC..Hα-helixtrans-64.2-36.5-176.5-1780000111.3F587 T737 G738 F739F587-V735 HydrophobicContact CD1-CG2 4.17Å; F587-V735 HydrophobicContact CE1-CG2 3.52Å; F587-V735 HydrophobicContact CZ-CG2 3.86Å; V735-T737 PolarHBondContact O-N 2.97Å; V735-G738 PolarHBondContact O-N 3.39Å; V735-F739 PolarHBondContact O-N 3.36Å
736T54.4Low69.2Low38 Ų3839.2 Ų39.223%0.23322%0.218CC..Hα-helixtrans-59.6-48.3-178.4-50.90000111.4V649 D734 G738 F739 L740V649-T736 HydrophobicContact CB-CG2 4.07Å; V649-T736 HydrophobicContact CG1-CG2 3.89Å; V649-T736 HydrophobicContact CG2-CG2 3.35Å; V649-T736 WeakPolarHBondContact CG2-OG1 3.21Å; D734-T736 VanDerWaalsContact C-N 3.29Å; D734-T736 PolarHBondContact O-N 3.33Å; D734-T736 VanDerWaalsContact OD1-CB 3.25Å; D734-T736 WeakPolarHBondContact OD1-CB 3.19Å; D734-T736 PolarHBondContact OD1-N 2.91Å; T736-G738 VanDerWaalsContact C-N 3.32Å; T736-G738 PolarHBondContact O-N 3.29Å; T736-F739 WeakPolarHBondContact O-CB 3.3Å; T736-F739 PolarHBondContact O-N 3.36Å; T736-L740 HydrophobicContact CG2-CD1 4.17Å; T736-L740 WeakPolarHBondContact O-CG 3.29Å; T736-L740 PolarHBondContact O-N 3.47Å
737T63.4Low69.1Low2 Ų237 Ų371%0.01221%0.206CC..Hα-helixtrans-66.5-37.1-179.9-56.70000111.3K695 L696 D734 V735 L740 L741K695-T737 HydrophobicContact CB-CG2 4.12Å; L696-T737 HydrophobicContact CD1-CG2 3.73Å; L696-T737 HydrophobicContact CD2-CG2 3.49Å; L696-T737 VanDerWaalsContact CD2-CG2 3.49Å; L696-T737 HydrophobicContact CG-CG2 3.39Å; D734-T737 WeakPolarHBondContact OD1-CB 2.99Å; D734-T737 PolarHBondContact OD1-N 2.97Å; D734-T737 PolarHBondContact OD1-OG1 3.02Å; D734-T737 PolarHBondContact OD2-OG1 3.35Å; V735-T737 PolarHBondContact O-N 2.97Å; T737-L740 PolarHBondContact O-N 3.03Å; T737-L741 WeakPolarHBondContact O-CB 3.36Å; T737-L741 PolarHBondContact O-N 3.27Å
738G68.9Low69.1Low5 Ų537.5 Ų37.55%0.05221%0.205CC..Hα-helixtrans-61.9-42.3172.500000113D734 V735 T736 L741 D742D734-G738 PolarHBondContact O-N 2.95Å; V735-G738 PolarHBondContact O-N 3.39Å; T736-G738 VanDerWaalsContact C-N 3.32Å; T736-G738 PolarHBondContact O-N 3.29Å; G738-L741 PolarHBondContact O-N 3.5Å; G738-D742 PolarHBondContact O-N 3.12Å; G738-D742 VanDerWaalsContact O-N 3.13Å
739F63.8Low68.6Low40 Ų4038.7 Ų38.718%0.17521%0.211CC..Hα-helixtrans-64-44.6176.4-178-84.4000112.4Y597 M653 V735 T736 L741 D742 H743Y597-F739 HydrophobicContact CD1-CE2 4.22Å; Y597-F739 AromaticContact CE1-CE2 3.73Å; Y597-F739 HydrophobicContact CE1-CE2 3.73Å; Y597-F739 AromaticContact CE1-CZ 3.99Å; Y597-F739 HydrophobicContact CE1-CZ 3.99Å; Y597-F739 HydrophobicContact CE2-CE2 4.22Å; Y597-F739 HydrophobicContact CE2-CZ 4.09Å; Y597-F739 AromaticContact CZ-CE2 3.75Å; Y597-F739 AromaticContact CZ-CZ 3.58Å; Y597-F739 WeakPolarHBondContact OH-CZ 3.26Å; M653-F739 HydrophobicContact CE-CD1 4.05Å; M653-F739 HydrophobicContact CE-CE1 3.44Å; M653-F739 VanDerWaalsContact CE-CE1 3.44Å; M653-F739 HydrophobicContact CE-CZ 4.37Å; V735-F739 PolarHBondContact O-N 3.36Å; T736-F739 WeakPolarHBondContact O-CB 3.3Å; T736-F739 PolarHBondContact O-N 3.36Å; F739-L741 VanDerWaalsContact C-N 3.31Å; F739-L741 PolarHBondContact O-N 2.91Å; F739-D742 PolarHBondContact O-N 3.44Å; F739-H743 PolarHBondContact O-N 3.38Å
740L67.7Low68.1Low5 Ų537.8 Ų37.83%0.02621%0.21CC..Hα-helixtrans-65.5-35.4178.6-68.6170.1000112.1M653 L688 Y691 T736 T737 D742 H743 L744M653-L740 HydrophobicContact CE-CD2 4.45Å; M653-L740 HydrophobicContact CG-CD2 4.16Å; L688-L740 HydrophobicContact CD1-CB 4.18Å; L688-L740 HydrophobicContact CD1-CD2 3.84Å; Y691-L740 HydrophobicContact CD1-CD1 3.72Å; Y691-L740 HydrophobicContact CE1-CD1 3.31Å; T736-L740 HydrophobicContact CG2-CD1 4.17Å; T736-L740 WeakPolarHBondContact O-CG 3.29Å; T736-L740 PolarHBondContact O-N 3.47Å; T737-L740 PolarHBondContact O-N 3.03Å; L740-D742 VanDerWaalsContact C-N 3.35Å; L740-H743 PolarHBondContact O-N 2.93Å; L740-L744 WeakPolarHBondContact O-CB 3.3Å; L740-L744 PolarHBondContact O-N 2.98Å
741L74.5Confident67.2Low0 Ų034.3 Ų34.30%019%0.188CC..Hα-helixtrans-65.4-39.8175.2-150.292.1000112.1C692 L696 F701 A704 L708 L728 T737 G738 F739 L744 L745C692-L741 HydrophobicContact CB-CD1 4Å; L696-L741 HydrophobicContact CD1-CD1 3.65Å; F701-L741 HydrophobicContact CD2-CD1 3.44Å; F701-L741 VanDerWaalsContact CD2-CD1 3.44Å; F701-L741 HydrophobicContact CE2-CD1 3.59Å; A704-L741 VanDerWaalsContact C-CD2 3.44Å; A704-L741 HydrophobicContact CB-CD2 3.36Å; L708-L741 HydrophobicContact CD1-CB 4.15Å; L708-L741 HydrophobicContact CD1-CD2 3.76Å; L708-L741 HydrophobicContact CD1-CG 4.32Å; L708-L741 HydrophobicContact CG-CD2 4.4Å; L728-L741 HydrophobicContact CD1-CD2 4.4Å; T737-L741 WeakPolarHBondContact O-CB 3.36Å; T737-L741 PolarHBondContact O-N 3.27Å; G738-L741 PolarHBondContact O-N 3.5Å; F739-L741 VanDerWaalsContact C-N 3.31Å; F739-L741 PolarHBondContact O-N 2.91Å; L741-L744 WeakPolarHBondContact O-CB 3.48Å; L741-L744 PolarHBondContact O-N 3.47Å; L741-L745 PolarHBondContact O-N 3.27Å
742D72.6Confident66.2Low16 Ų1634.5 Ų34.59%0.08619%0.194CC..Hα-helixtrans-68.9-40.6177.7-158.515.5000111.7Y598 L708 R712 G738 F739 L740 L744 L745 F746Y598-D742 PolarHBondContact OH-OD2 2.83Å; L708-D742 HydrophobicContact CD1-CB 4.03Å; R712-D742 WeakPolarHBondContact CD-OD1 3.14Å; R712-D742 IonicContact CZ-OD1 2.69Å; R712-D742 IonicContact CZ-OD2 3.05Å; R712-D742 IonicContact NE-OD1 2.79Å; R712-D742 PolarHBondContact NE-OD1 2.95Å; R712-D742 IonicContact NE-OD2 3.86Å; R712-D742 PolarHBondContact NE-OD2 3.41Å; R712-D742 IonicContact NH2-OD1 3.88Å; R712-D742 IonicContact NH2-OD2 3.66Å; R712-D742 PolarHBondContact NH2-OD2 2.96Å; G738-D742 PolarHBondContact O-N 3.12Å; G738-D742 VanDerWaalsContact O-N 3.13Å; F739-D742 PolarHBondContact O-N 3.44Å; L740-D742 VanDerWaalsContact C-N 3.35Å; D742-L744 VanDerWaalsContact C-N 3.34Å; D742-L744 PolarHBondContact O-N 3.45Å; D742-L745 PolarHBondContact O-N 3.05Å; D742-F746 PolarHBondContact O-N 2.92Å
743H71.6Confident65.1Low31 Ų3139.5 Ų39.514%0.14422%0.215CC..Hα-helixtrans-63.2-39.7172.4-165.866.2000112.1L688 F739 L740 F746 L747L688-H743 HydrophobicContact CD2-CB 4.48Å; F739-H743 PolarHBondContact O-N 3.38Å; L740-H743 PolarHBondContact O-N 2.93Å; H743-F746 WeakPolarHBondContact O-CB 3.23Å; H743-F746 PolarHBondContact O-N 3.37Å; H743-L747 WeakPolarHBondContact O-CG 3.47Å; H743-L747 PolarHBondContact O-N 2.97Å
744L77.7Confident63.9Low0 Ų036.2 Ų36.20%019%0.188CC..Hα-helixtrans-60.8-46.917417867.1000111.6I685 L688 K689 F701 Y705 L740 L741 D742 F746 L747 E748I685-L744 HydrophobicContact CG2-CD1 4.05Å; L688-L744 HydrophobicContact CB-CD1 4.22Å; L688-L744 HydrophobicContact CD2-CB 3.74Å; L688-L744 HydrophobicContact CD2-CD1 4.12Å; L688-L744 HydrophobicContact CG-CB 4.14Å; L688-L744 HydrophobicContact CG-CD1 4.22Å; K689-L744 HydrophobicContact CB-CD1 4Å; K689-L744 HydrophobicContact CB-CD2 4.06Å; K689-L744 HydrophobicContact CG-CD2 4.17Å; F701-L744 HydrophobicContact CE2-CD2 3.61Å; F701-L744 HydrophobicContact CZ-CD2 3.72Å; Y705-L744 HydrophobicContact CD2-CD2 4.38Å; Y705-L744 HydrophobicContact CE2-CD2 4.43Å; Y705-L744 HydrophobicContact CE2-CG 4.5Å; L740-L744 WeakPolarHBondContact O-CB 3.3Å; L740-L744 PolarHBondContact O-N 2.98Å; L741-L744 WeakPolarHBondContact O-CB 3.48Å; L741-L744 PolarHBondContact O-N 3.47Å; D742-L744 VanDerWaalsContact C-N 3.34Å; D742-L744 PolarHBondContact O-N 3.45Å; L744-F746 VanDerWaalsContact C-N 3.28Å; L744-F746 PolarHBondContact O-N 3.35Å; L744-L747 PolarHBondContact O-N 3.05Å; L744-E748 HydrophobicContact CD1-CG 4.34Å; L744-E748 PolarHBondContact O-N 3.08Å
745L76.1Confident62.8Low3 Ų337 Ų372%0.01620%0.195CC..Hα-helixtrans-59.5-40.6176.8179.266.8000111.5Y705 L708 Y709 R712 I713 L741 D742 N749Y705-L745 HydrophobicContact CE1-CD1 4.31Å; Y705-L745 HydrophobicContact CE2-CB 4.36Å; Y705-L745 HydrophobicContact CE2-CD1 4.08Å; L708-L745 HydrophobicContact CB-CD2 3.7Å; Y709-L745 HydrophobicContact CD2-CD1 3.67Å; Y709-L745 HydrophobicContact CG-CD1 4.36Å; R712-L745 HydrophobicContact CB-CD2 4.08Å; R712-L745 HydrophobicContact CG-CD2 4.47Å; I713-L745 HydrophobicContact CG1-CD1 4.13Å; I713-L745 HydrophobicContact CG1-CD2 4.33Å; I713-L745 HydrophobicContact CG1-CG 4.4Å; L741-L745 PolarHBondContact O-N 3.27Å; D742-L745 PolarHBondContact O-N 3.05Å; L745-N749 VanDerWaalsContact O-CB 3.23Å; L745-N749 WeakPolarHBondContact O-CB 3.38Å; L745-N749 PolarHBondContact O-N 3.4Å
746F67.4Low61.7Low87 Ų8737.4 Ų37.438%0.38219%0.193SC..Hα-helixtrans-62.1-48.9175.2175.3-95.3000112.1D742 H743 L744 E748 N749 D750D742-F746 PolarHBondContact O-N 2.92Å; H743-F746 WeakPolarHBondContact O-CB 3.23Å; H743-F746 PolarHBondContact O-N 3.37Å; L744-F746 VanDerWaalsContact C-N 3.28Å; L744-F746 PolarHBondContact O-N 3.35Å; F746-E748 PolarHBondContact O-N 3.38Å; F746-N749 PolarHBondContact O-N 2.86Å; F746-D750 WeakPolarHBondContact O-CB 3.14Å; F746-D750 PolarHBondContact O-N 2.82Å
747L65.1Low60.6Low24 Ų2440.9 Ų40.913%0.12621%0.21CC..Hα-helixtrans-63.8-41.5-179.7-69.7174.9000112.2I685 L688 H743 L744 A751I685-L747 HydrophobicContact CD1-CB 4.19Å; I685-L747 HydrophobicContact CG1-CB 3.79Å; L688-L747 HydrophobicContact CD2-CD1 3.93Å; H743-L747 WeakPolarHBondContact O-CG 3.47Å; H743-L747 PolarHBondContact O-N 2.97Å; L744-L747 PolarHBondContact O-N 3.05Å; L747-A751 WeakPolarHBondContact O-CB 3.29Å; L747-A751 PolarHBondContact O-N 2.81Å
748E72.1Confident59.2Low26 Ų2645.1 Ų45.112%0.12123%0.232CC..Hα-helixtrans-66.9-41176.1-76.5-175.315700111.5I685 K689 Y705 L744 F746 A751 L752I685-E748 HydrophobicContact CD1-CG 4.45Å; I685-E748 HydrophobicContact CG2-CG 3.52Å; K689-E748 IonicContact NZ-OE1 3.91Å; K689-E748 PolarHBondContact NZ-OE1 3.21Å; Y705-E748 WeakPolarHBondContact CE2-OE2 3.38Å; Y705-E748 PolarHBondContact OH-OE2 2.81Å; L744-E748 HydrophobicContact CD1-CG 4.34Å; L744-E748 PolarHBondContact O-N 3.08Å; F746-E748 PolarHBondContact O-N 3.38Å; E748-A751 PolarHBondContact O-N 3.22Å; E748-L752 WeakPolarHBondContact O-CB 3.43Å; E748-L752 VanDerWaalsContact O-CG 3.3Å; E748-L752 WeakPolarHBondContact O-CG 3.5Å; E748-L752 PolarHBondContact O-N 3.21Å
749N67.1Low57.4Low35 Ų3550.2 Ų50.219%0.18725%0.254CS..Hα-helixtrans-68.9-37.2177-172.439.4000112.8I713 L745 F746 L752 K753I713-N749 HydrophobicContact CD1-CB 4.19Å; I713-N749 VanDerWaalsContact CD1-ND2 3.27Å; I713-N749 WeakPolarHBondContact CD1-ND2 3.49Å; L745-N749 VanDerWaalsContact O-CB 3.23Å; L745-N749 WeakPolarHBondContact O-CB 3.38Å; L745-N749 PolarHBondContact O-N 3.4Å; F746-N749 PolarHBondContact O-N 2.86Å; N749-L752 PolarHBondContact O-N 2.95Å; N749-K753 WeakPolarHBondContact O-CB 3.18Å; N749-K753 WeakPolarHBondContact O-CG 3.07Å; N749-K753 PolarHBondContact O-N 2.99Å
750D58.8Low55.9Low52 Ų5252.1 Ų52.128%0.27827%0.266SS..Hα-helixtrans-68.5-39.4174.9-171.959.5000111.4K681 F746 K753 Q754K681-D750 IonicContact NZ-OD2 2.88Å; K681-D750 PolarHBondContact NZ-OD2 3.44Å; F746-D750 WeakPolarHBondContact O-CB 3.14Å; F746-D750 PolarHBondContact O-N 2.82Å; D750-K753 PolarHBondContact O-N 3.35Å; D750-Q754 VanDerWaalsContact O-CG 3.31Å; D750-Q754 WeakPolarHBondContact O-CG 3.47Å; D750-Q754 PolarHBondContact O-N 2.85Å; D750-Q754 PolarHBondContact OD2-NE2 2.67Å
751A58.3Low54.2Low26 Ų2654.7 Ų54.722%0.21528%0.284CS..Hα-helixtrans-60.6-44.1170.600000111.7I685 L747 E748 Q754 T755I685-A751 HydrophobicContact CD1-CB 3.97Å; L747-A751 WeakPolarHBondContact O-CB 3.29Å; L747-A751 PolarHBondContact O-N 2.81Å; E748-A751 PolarHBondContact O-N 3.22Å; A751-Q754 PolarHBondContact O-N 3.35Å; A751-T755 PolarHBondContact O-N 2.95Å; A751-T755 PolarHBondContact O-OG1 2.93Å
752L56Low52.3Low87 Ų8759.9 Ų59.946%0.45531%0.309SS..Hα-helixtrans-64-41.3176.6-75.5167.4000112.8E748 N749 Q754 T755 I756E748-L752 WeakPolarHBondContact O-CB 3.43Å; E748-L752 VanDerWaalsContact O-CG 3.3Å; E748-L752 WeakPolarHBondContact O-CG 3.5Å; E748-L752 PolarHBondContact O-N 3.21Å; N749-L752 PolarHBondContact O-N 2.95Å; L752-Q754 VanDerWaalsContact C-N 3.31Å; L752-Q754 PolarHBondContact O-N 3.44Å; L752-T755 PolarHBondContact O-N 3.44Å; L752-I756 VanDerWaalsContact O-CB 3.29Å; L752-I756 WeakPolarHBondContact O-CB 3.41Å; L752-I756 VanDerWaalsContact O-CG1 3.22Å; L752-I756 WeakPolarHBondContact O-CG1 3.22Å; L752-I756 PolarHBondContact O-N 3.34Å
753K48.2Very low50.6Low116 Ų11661.5 Ų61.550%0.50432%0.321SS..Hα-helixtrans-64.8-35.2176-77.2176.9-178.11770112.4N749 D750 N757N749-K753 WeakPolarHBondContact O-CB 3.18Å; N749-K753 WeakPolarHBondContact O-CG 3.07Å; N749-K753 PolarHBondContact O-N 2.99Å; D750-K753 PolarHBondContact O-N 3.35Å; K753-N757 VanDerWaalsContact O-CB 3.26Å; K753-N757 WeakPolarHBondContact O-CB 3.29Å; K753-N757 PolarHBondContact O-N 3.42Å
754Q41.3Very low48.6Very low36 Ų3664 Ų6417%0.16833%0.334CS..Hα-helixtrans-66.5-46.4173.3-71.8176.1-4.400110.5F551 D750 A751 L752 I756 N757 I758F551-Q754 HydrophobicContact CE2-CG 4.25Å; F551-Q754 HydrophobicContact CZ-CG 3.96Å; D750-Q754 VanDerWaalsContact O-CG 3.31Å; D750-Q754 WeakPolarHBondContact O-CG 3.47Å; D750-Q754 PolarHBondContact O-N 2.85Å; D750-Q754 PolarHBondContact OD2-NE2 2.67Å; A751-Q754 PolarHBondContact O-N 3.35Å; L752-Q754 VanDerWaalsContact C-N 3.31Å; L752-Q754 PolarHBondContact O-N 3.44Å; Q754-I756 PolarHBondContact O-N 2.9Å; Q754-N757 PolarHBondContact O-N 3.42Å; Q754-I758 WeakPolarHBondContact O-CB 3.47Å; Q754-I758 VanDerWaalsContact O-CD1 3.31Å; Q754-I758 WeakPolarHBondContact O-CD1 3.5Å; Q754-I758 WeakPolarHBondContact O-CG1 3.4Å; Q754-I758 PolarHBondContact O-N 3.43Å
755T36.8Very low46.5Very low72 Ų7270.2 Ų70.244%0.44236%0.363SS..Hα-helixtrans-62.9-40.3176.1-47.40000112.4A751 L752 I758 Q759A751-T755 PolarHBondContact O-N 2.95Å; A751-T755 PolarHBondContact O-OG1 2.93Å; L752-T755 PolarHBondContact O-N 3.44Å; T755-I758 PolarHBondContact O-N 2.98Å; T755-Q759 VanDerWaalsContact O-CB 3.3Å; T755-Q759 WeakPolarHBondContact O-CB 3.46Å; T755-Q759 WeakPolarHBondContact O-CG 3.42Å; T755-Q759 PolarHBondContact O-N 3.38Å
756I34.2Very low44.6Very low84 Ų8475.9 Ų75.943%0.43139%0.39SS..Hα-helixtrans-72-37.5178.1-71.2166.6000111.2L752 Q754 L760L752-I756 VanDerWaalsContact O-CB 3.29Å; L752-I756 WeakPolarHBondContact O-CB 3.41Å; L752-I756 VanDerWaalsContact O-CG1 3.22Å; L752-I756 WeakPolarHBondContact O-CG1 3.22Å; L752-I756 PolarHBondContact O-N 3.34Å; Q754-I756 PolarHBondContact O-N 2.9Å; I756-L760 HydrophobicContact CG2-CD1 3.36Å; I756-L760 HydrophobicContact CG2-CG 4.17Å; I756-L760 WeakPolarHBondContact O-CA 3.45Å; I756-L760 WeakPolarHBondContact O-CB 3.39Å; I756-L760 WeakPolarHBondContact O-CG 3.25Å; I756-L760 PolarHBondContact O-N 3Å
757N31.2Very low42.9Very low112 Ų11277.1 Ų77.160%0.59940%0.399SS*.Hα-helixtrans-69.7-34.4173.5-93.8-19.7000111.8K753 Q754 S761K753-N757 VanDerWaalsContact O-CB 3.26Å; K753-N757 WeakPolarHBondContact O-CB 3.29Å; K753-N757 PolarHBondContact O-N 3.42Å; Q754-N757 PolarHBondContact O-N 3.42Å; N757-S761 WeakPolarHBondContact O-CA 3.34Å; N757-S761 WeakPolarHBondContact O-CB 3.2Å; N757-S761 PolarHBondContact O-N 3.37Å; N757-S761 PolarHBondContact O-OG 3.06Å; N757-S761 VanDerWaalsContact O-OG 3.12Å
758I33.1Very low41.3Very low91 Ų9182.7 Ų82.747%0.46743%0.428SS..Hα-helixtrans-67.1-51.6173.4-67.4162.2000109Q754 T755 L760 S761 E762Q754-I758 WeakPolarHBondContact O-CB 3.47Å; Q754-I758 VanDerWaalsContact O-CD1 3.31Å; Q754-I758 WeakPolarHBondContact O-CD1 3.5Å; Q754-I758 WeakPolarHBondContact O-CG1 3.4Å; Q754-I758 PolarHBondContact O-N 3.43Å; T755-I758 PolarHBondContact O-N 2.98Å; I758-L760 PolarHBondContact O-N 2.94Å; I758-S761 PolarHBondContact O-N 3.12Å; I758-S761 PolarHBondContact O-OG 3.46Å; I758-E762 WeakPolarHBondContact O-CB 3.48Å; I758-E762 VanDerWaalsContact O-CG 3.29Å; I758-E762 WeakPolarHBondContact O-CG 3.33Å; I758-E762 PolarHBondContact O-N 2.91Å
759Q31.7Very low39.6Very low111 Ų11187.1 Ų87.152%0.51945%0.453SS..Hα-helixtrans-66.3-35.2178-76.8-175.7-30.600113.9T755 S763T755-Q759 VanDerWaalsContact O-CB 3.3Å; T755-Q759 WeakPolarHBondContact O-CB 3.46Å; T755-Q759 WeakPolarHBondContact O-CG 3.42Å; T755-Q759 PolarHBondContact O-N 3.38Å; Q759-S763 WeakPolarHBondContact O-CA 3.26Å; Q759-S763 WeakPolarHBondContact O-CB 3.36Å; Q759-S763 PolarHBondContact O-N 2.99Å; Q759-S763 PolarHBondContact O-OG 3.42Å
760L31.6Very low38Very low81 Ų8190.9 Ų90.942%0.42447%0.473SS..Hα-helixtrans-74.9-33.9172.9-82160000110.5I756 I758 I764I756-L760 HydrophobicContact CG2-CD1 3.36Å; I756-L760 HydrophobicContact CG2-CG 4.17Å; I756-L760 WeakPolarHBondContact O-CA 3.45Å; I756-L760 WeakPolarHBondContact O-CB 3.39Å; I756-L760 WeakPolarHBondContact O-CG 3.25Å; I756-L760 PolarHBondContact O-N 3Å; I758-L760 PolarHBondContact O-N 2.94Å; L760-I764 HydrophobicContact CB-CD1 4.14Å; L760-I764 HydrophobicContact CD2-CD1 3.93Å; L760-I764 HydrophobicContact CD2-CG1 4.29Å; L760-I764 WeakPolarHBondContact O-CA 3.25Å; L760-I764 WeakPolarHBondContact O-CB 3.35Å; L760-I764 WeakPolarHBondContact O-CD1 3.47Å; L760-I764 WeakPolarHBondContact O-CG1 3.29Å; L760-I764 PolarHBondContact O-N 3.23Å
761S32.8Very low36.7Very low58 Ų5894.3 Ų94.341%0.40649%0.491SS..Hα-helixtrans-67.2-42.9172.575.80000110.5N757 I758 H765N757-S761 WeakPolarHBondContact O-CA 3.34Å; N757-S761 WeakPolarHBondContact O-CB 3.2Å; N757-S761 PolarHBondContact O-N 3.37Å; N757-S761 PolarHBondContact O-OG 3.06Å; N757-S761 VanDerWaalsContact O-OG 3.12Å; I758-S761 PolarHBondContact O-N 3.12Å; I758-S761 PolarHBondContact O-OG 3.46Å; S761-H765 WeakPolarHBondContact O-CB 3.46Å; S761-H765 PolarHBondContact O-CD2 3.37Å; S761-H765 PolarHBondContact O-N 3.07Å
762E34.2Very low35.2Very low110 Ų110101.5 Ų101.551%0.51453%0.525SS..Hα-helixtrans-70-41.6177.3-72.2173.5164.900111.4I758 H765 Q766I758-E762 WeakPolarHBondContact O-CB 3.48Å; I758-E762 VanDerWaalsContact O-CG 3.29Å; I758-E762 WeakPolarHBondContact O-CG 3.33Å; I758-E762 PolarHBondContact O-N 2.91Å; E762-H765 CarbonylContact O-C 3.53Å; E762-Q766 VanDerWaalsContact O-CB 3.29Å; E762-Q766 WeakPolarHBondContact O-CB 3.27Å; E762-Q766 PolarHBondContact O-N 3.35Å; E762-Q766 PolarHBondContact O-OE1 3.06Å
763S36.8Very low33.8Very low49 Ų49102 Ų10234%0.34353%0.534SS..Hα-helixtrans-78.7-30.2178.3-57.30000112.8Q759 Q766 I767Q759-S763 WeakPolarHBondContact O-CA 3.26Å; Q759-S763 WeakPolarHBondContact O-CB 3.36Å; Q759-S763 PolarHBondContact O-N 2.99Å; Q759-S763 PolarHBondContact O-OG 3.42Å; S763-Q766 PolarHBondContact O-N 3.48Å; S763-I767 WeakPolarHBondContact O-CA 3.21Å; S763-I767 WeakPolarHBondContact O-CB 3.47Å; S763-I767 VanDerWaalsContact O-CD1 3.29Å; S763-I767 WeakPolarHBondContact O-CD1 3.27Å; S763-I767 WeakPolarHBondContact O-CG1 3.28Å; S763-I767 PolarHBondContact O-N 3.21Å
764I31Very low32.9Very low83 Ų83105.2 Ų105.243%0.42655%0.548SS..Hα-helixtrans-77.1-32.7171.8-66.8169.8000109.1L760 L768L760-I764 HydrophobicContact CB-CD1 4.14Å; L760-I764 HydrophobicContact CD2-CD1 3.93Å; L760-I764 HydrophobicContact CD2-CG1 4.29Å; L760-I764 WeakPolarHBondContact O-CA 3.25Å; L760-I764 WeakPolarHBondContact O-CB 3.35Å; L760-I764 WeakPolarHBondContact O-CD1 3.47Å; L760-I764 WeakPolarHBondContact O-CG1 3.29Å; L760-I764 PolarHBondContact O-N 3.23Å; I764-L768 HydrophobicContact CG2-CD1 3.37Å; I764-L768 HydrophobicContact CG2-CG 4.05Å; I764-L768 WeakPolarHBondContact O-CB 3.37Å; I764-L768 VanDerWaalsContact O-CG 3.3Å; I764-L768 WeakPolarHBondContact O-CG 3.43Å; I764-L768 PolarHBondContact O-N 2.85Å
765H33.7Very low32.2Very low132 Ų132114.3 Ų114.361%0.61158%0.582SS**Hα-helixtrans-72.1-23.2168.1-85.1-73.2000113.7S761 E762 N769S761-H765 WeakPolarHBondContact O-CB 3.46Å; S761-H765 PolarHBondContact O-CD2 3.37Å; S761-H765 PolarHBondContact O-N 3.07Å; E762-H765 CarbonylContact O-C 3.53Å; H765-N769 VanDerWaalsContact O-CB 3.23Å; H765-N769 WeakPolarHBondContact O-CB 3.3Å; H765-N769 VanDerWaalsContact O-CG 3.27Å; H765-N769 PolarHBondContact O-ND2 3.45Å
766Q35.8Very low31.8Very low121 Ų121121.1 Ų121.157%0.56562%0.624SS**Hα-helixtrans-89.8-37.2172-96.1162.2-30.800113.1E762 S763 N769 D770E762-Q766 VanDerWaalsContact O-CB 3.29Å; E762-Q766 WeakPolarHBondContact O-CB 3.27Å; E762-Q766 PolarHBondContact O-N 3.35Å; E762-Q766 PolarHBondContact O-OE1 3.06Å; S763-Q766 PolarHBondContact O-N 3.48Å; Q766-N769 PolarHBondContact O-N 2.9Å; Q766-D770 VanDerWaalsContact O-CB 3.31Å; Q766-D770 WeakPolarHBondContact O-CB 3.29Å; Q766-D770 PolarHBondContact O-N 3.27Å
767I31.4Very low31.7Very low114 Ų114123 Ų12359%0.58563%0.634SS**Hα-helixtrans-77.9-30.3-179.3-66.1164.9000111.5S763S763-I767 WeakPolarHBondContact O-CA 3.21Å; S763-I767 WeakPolarHBondContact O-CB 3.47Å; S763-I767 VanDerWaalsContact O-CD1 3.29Å; S763-I767 WeakPolarHBondContact O-CD1 3.27Å; S763-I767 WeakPolarHBondContact O-CG1 3.28Å; S763-I767 PolarHBondContact O-N 3.21Å
768L30.5Very low31.8Very low140 Ų140123.5 Ų123.573%0.73364%0.636SS**THydrogen-bonded Turntrans-81.9-14171.9-67.7171.3000113.6I764I764-L768 HydrophobicContact CG2-CD1 3.37Å; I764-L768 HydrophobicContact CG2-CG 4.05Å; I764-L768 WeakPolarHBondContact O-CB 3.37Å; I764-L768 VanDerWaalsContact O-CG 3.3Å; I764-L768 WeakPolarHBondContact O-CG 3.43Å; I764-L768 PolarHBondContact O-N 2.85Å
769N37.5Very low31.7Very low119 Ų119125.3 Ų125.364%0.63665%0.645SS**THydrogen-bonded Turntrans-104-19.5179.1-74.8-32.9000114.6H765 Q766H765-N769 VanDerWaalsContact O-CB 3.23Å; H765-N769 WeakPolarHBondContact O-CB 3.3Å; H765-N769 VanDerWaalsContact O-CG 3.27Å; H765-N769 PolarHBondContact O-ND2 3.45Å; Q766-N769 PolarHBondContact O-N 2.9Å
770D32.3Very low31.7Very low115 Ų115126.2 Ų126.262%0.61565%0.652SS**SBendtrans-113.110.3-172.1-71.4-26.3000116.8Q766Q766-D770 VanDerWaalsContact O-CB 3.31Å; Q766-D770 WeakPolarHBondContact O-CB 3.29Å; Q766-D770 PolarHBondContact O-N 3.27Å
771N31.3Very low31.7Very low124 Ų124129 Ų12966%0.66367%0.667SS**  trans-142.881.4177.3-77-59.3000114.4
772L27Very low31.6Very low177 Ų177133.7 Ų133.793%0.92768%0.684SS**  trans-162.494.7145-106.1137.7000111
773P28.4Very low31.4Very low98 Ų98135.4 Ų135.464%0.63670%0.696SS**  trans-119.8144.2143.735.7-25.9000111.1
774F29.3Very low31Very low182 Ų182142.1 Ų142.180%0.79872%0.723SS**  trans98.989.6166.4-63.1-80.2000118.6T776F774-T776 PolarHBondContact O-N 2.86Å
775Y25.4Very low31Very low227 Ų227147 Ų14789%0.8975%0.748SS**  1996.4113-79-89.9000116.1
776T29.5Very low30.8Very low215 Ų215148.4 Ų148.4100%1.31976%0.761SS**  -164.7011627.70000109.3F774F774-T776 PolarHBondContact O-N 2.86Å

Retrieved 776 of 776 residues in 1417.6 ms (Link to these results)

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