A0A096M3L6_POEFO Loading...

Acyl-coenzyme A diphosphatase NUDT19

Fatty acyl-coenzyme A (CoA) diphosphatase that hydrolyzes fatty acyl-CoA to yield acyl-4'-phosphopantetheine and adenosine 3',5'-bisphosphate. Mediates the hydrolysis of a wide range of CoA esters, including choloyl-CoA and branched-chain fatty-acyl-CoA esters and at low substrate concentrations medium and long-chain fatty-acyl-CoA esters are the primary substrates. Highest activity seen with medium-chain acyl-CoA esters and higher rates of activity seen with the unsaturated acyl-CoA esters compared with the saturated esters. Exhibits decapping activity towards dpCoA-capped RNAs in vitro.

AlphaFold DB , UniProt , Accession A0A096M3L6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 393 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
1M40.9Very low63.1Low229 Ų22993 Ų93100%1.12848%0.476SS*.  01190-155.9178.8-93.300107.9T3M1-T3 PolarHBondContact O-N 2.71Å
2N35.5Very low66.1Low53 Ų5385.3 Ų85.328%0.28344%0.436SS..  trans-75.4121.6-170-171.1-4.7000111.2A4 L5 L120N2-A4 PolarHBondContact O-N 3.4Å; N2-A4 VanDerWaalsContact OD1-CB 3.22Å; N2-A4 WeakPolarHBondContact OD1-CB 3.5Å; N2-A4 PolarHBondContact OD1-N 2.7Å; N2-L5 HydrophobicContact CB-CD1 3.82Å; N2-L5 HydrophobicContact CB-CG 3.97Å; N2-L5 PolarHBondContact O-N 3.08Å; N2-L120 HydrophobicContact CB-CD1 4.1Å; N2-L120 HydrophobicContact CB-CD2 3.9Å
3T34.3Very low68.5Low110 Ų11080.2 Ų80.268%0.67541%0.412SS*.THydrogen-bonded Turntrans-73.5-5.9175.143.70000113.5M1 K6M1-T3 PolarHBondContact O-N 2.71Å; T3-K6 VanDerWaalsContact O-CD 3.23Å; T3-K6 WeakPolarHBondContact O-CD 3.33Å; T3-K6 WeakPolarHBondContact O-CE 3.42Å; T3-K6 WeakPolarHBondContact O-CG 3.09Å
4A37.1Very low70.7Confident84 Ų8474.4 Ų74.469%0.69438%0.382SS*.THydrogen-bonded Turntrans-85.8-12.7172.200000114N2 K6N2-A4 PolarHBondContact O-N 3.4Å; N2-A4 VanDerWaalsContact OD1-CB 3.22Å; N2-A4 WeakPolarHBondContact OD1-CB 3.5Å; N2-A4 PolarHBondContact OD1-N 2.7Å; A4-K6 PolarHBondContact O-N 2.88Å
5L46.9Very low72.5Confident52 Ų5269.5 Ų69.527%0.27236%0.357SS..  trans-83.819.7176.1-68.3170.9000113.4N2 Q7N2-L5 HydrophobicContact CB-CD1 3.82Å; N2-L5 HydrophobicContact CB-CG 3.97Å; N2-L5 PolarHBondContact O-N 3.08Å; L5-Q7 PolarHBondContact O-N 2.79Å
6K54.7Low74.1Confident178 Ų17865.1 Ų65.177%0.77433%0.334SS*.THydrogen-bonded Turntrans-59.9-1-163.8-96.8174.3-174.9-178.20117.3T3 A4T3-K6 VanDerWaalsContact O-CD 3.23Å; T3-K6 WeakPolarHBondContact O-CD 3.33Å; T3-K6 WeakPolarHBondContact O-CE 3.42Å; T3-K6 WeakPolarHBondContact O-CG 3.09Å; A4-K6 PolarHBondContact O-N 2.88Å
7Q74.1Confident75.5Confident128 Ų12861.3 Ų61.360%0.59832%0.315SS*.THydrogen-bonded Turntrans-121.1-12.7-168.6-64.9-174.34.100115.7L5L5-Q7 PolarHBondContact O-N 2.79Å
8W85.4Confident76.6Confident66 Ų6657.9 Ų57.925%0.2530%0.297CS..  trans-157.3165.217854.584.2000111.7L216 R226 D228W8-L216 HydrophobicContact CB-CD1 4.09Å; W8-L216 HydrophobicContact CD2-CD1 3.93Å; W8-L216 HydrophobicContact CE3-CD1 4.27Å; W8-L216 HydrophobicContact CE3-CD2 4.45Å; W8-L216 HydrophobicContact CG-CD1 3.86Å; W8-L216 HydrophobicContact CZ3-CD2 4.49Å; W8-R226 CarbonylContact C-O 3.5Å; W8-R226 WeakPolarHBondContact CA-O 3.34Å; W8-R226 HydrophobicContact CB-CB 3.88Å; W8-R226 WeakPolarHBondContact CB-O 3.3Å; W8-D228 HydrophobicContact CG-CB 4.13Å; W8-D228 PolarHBondContact NE1-OD2 3.45Å
9K92.1Very high77.5Confident102 Ų10255.2 Ų55.244%0.44329%0.285SS..EExtended strand (participates in β ladder)trans-100.2141.6174.4-57.3-174.9-177.3179.50110M74 R226 F227 D228K9-M74 HydrophobicContact CD-CG 4.42Å; K9-M74 HydrophobicContact CD-SD 3.36Å; K9-M74 WeakPolarHBondContact CD-SD 3.29Å; K9-R226 PolarHBondContact N-O 3.43Å; K9-F227 HydrophobicContact CB-CD1 3.88Å; K9-F227 HydrophobicContact CB-CE1 4.1Å; K9-F227 HydrophobicContact CD-CE1 3.98Å; K9-F227 CarbonylContact O-C 3.59Å; K9-F227 VanDerWaalsContact O-CA 3.26Å; K9-F227 WeakPolarHBondContact O-CA 3.24Å; K9-D228 PolarHBondContact O-N 2.78Å
10E95.8Very high77.9Confident16 Ų1657.2 Ų57.28%0.07529%0.289CS..EExtended strand (participates in β ladder)trans-80.5139.9172.6-65.7-179.7149.700109.7V75 I112 R117 D228E10-V75 HydrophobicContact CB-CG1 4.16Å; E10-V75 HydrophobicContact CB-CG2 3.72Å; E10-V75 PolarHBondContact O-N 3.23Å; E10-I112 HydrophobicContact CB-CD1 4.01Å; E10-I112 HydrophobicContact CB-CG1 4.46Å; E10-I112 HydrophobicContact CG-CD1 4.06Å; E10-I112 HydrophobicContact CG-CG1 4.12Å; E10-R117 VanDerWaalsContact CD-NH2 3.28Å; E10-R117 IonicContact OE1-CZ 2.72Å; E10-R117 IonicContact OE1-NH1 3.6Å; E10-R117 PolarHBondContact OE1-NH1 3.31Å; E10-R117 IonicContact OE1-NH2 3.82Å; E10-R117 PolarHBondContact OE1-NH2 3.19Å; E10-R117 IonicContact OE2-CZ 3.14Å; E10-R117 IonicContact OE2-NH1 2.68Å; E10-R117 PolarHBondContact OE2-NH1 2.86Å; E10-R117 IonicContact OE2-NH2 2.68Å; E10-R117 PolarHBondContact OE2-NH2 2.8Å; E10-R117 VanDerWaalsContact OE2-NH2 3.11Å; E10-D228 WeakPolarHBondContact CA-O 3.36Å
11A97.5Very high77.4Confident5 Ų564.2 Ų64.24%0.04131%0.312CS..EExtended strand (participates in β ladder)trans-142.9159.9-178.900000110.6G73 F227 D228 T229 A230A11-G73 CarbonylContact C-O 3.59Å; A11-G73 WeakPolarHBondContact CA-O 3.38Å; A11-G73 WeakPolarHBondContact CB-O 3.21Å; A11-F227 HydrophobicContact CB-CD1 4.33Å; A11-D228 PolarHBondContact N-O 3.45Å; A11-T229 HydrophobicContact CB-CG2 4.16Å; A11-T229 WeakPolarHBondContact O-CA 3.37Å; A11-A230 PolarHBondContact O-N 2.84Å
12S98.4Very high78Confident0 Ų056.8 Ų56.80%028%0.276CS..EExtended strand (participates in β ladder)trans-130.3140.3172.2-53.60000110.7G72 G73 L130 A230S12-G72 CarbonylContact O-C 3.5Å; S12-G72 WeakPolarHBondContact O-CA 3.4Å; S12-G73 PolarHBondContact N-O 3.03Å; S12-G73 PolarHBondContact O-N 3.16Å; S12-L130 VanDerWaalsContact CB-O 3.25Å; S12-L130 WeakPolarHBondContact CB-O 3.32Å; S12-L130 WeakPolarHBondContact OG-CA 3.29Å; S12-L130 WeakPolarHBondContact OG-CD2 3.43Å; S12-L130 PolarHBondContact OG-O 2.76Å; S12-A230 CarbonylContact C-O 3.56Å; S12-A230 WeakPolarHBondContact CA-O 3.37Å
13T98Very high78.4Confident19 Ų1957.2 Ų57.212%0.11729%0.293CS..EExtended strand (participates in β ladder)trans-127.4139.8-179.8-71.30000109.7F70 P71 T229 A230 F231 F232T13-F70 HydrophobicContact CG2-CB 3.45Å; T13-F70 VanDerWaalsContact CG2-CB 3.45Å; T13-F70 HydrophobicContact CG2-CD2 4.11Å; T13-F70 HydrophobicContact CG2-CG 4.25Å; T13-P71 WeakPolarHBondContact CA-O 3.25Å; T13-T229 VanDerWaalsContact OG1-CG2 3.29Å; T13-T229 WeakPolarHBondContact OG1-CG2 3.23Å; T13-A230 PolarHBondContact N-O 2.84Å; T13-F231 HydrophobicContact CG2-CD1 3.83Å; T13-F231 HydrophobicContact CG2-CE1 3.77Å; T13-F231 HydrophobicContact CG2-CG 4.44Å; T13-F231 HydrophobicContact CG2-CZ 4.31Å; T13-F231 WeakPolarHBondContact O-CA 3.47Å; T13-F232 PolarHBondContact O-N 2.76Å
14L98.5Very high78.5Confident0 Ų056.9 Ų56.90%030%0.302CS..EExtended strand (participates in β ladder)trans-112.3114.4176.8-17262.1000111L16 P71 A134 T138 L146 L209 F232 C234L14-L16 HydrophobicContact CD2-CB 4.33Å; L14-L16 HydrophobicContact CD2-CD1 4.26Å; L14-L16 HydrophobicContact CG-CB 4.28Å; L14-L16 PolarHBondContact O-N 3.08Å; L14-L16 VanDerWaalsContact O-N 3.15Å; L14-P71 PolarHBondContact N-O 3.49Å; L14-P71 WeakPolarHBondContact O-CD 3.46Å; L14-A134 HydrophobicContact CB-CB 4.46Å; L14-T138 HydrophobicContact CD2-CG2 4.18Å; L14-T138 WeakPolarHBondContact CD2-OG1 3.4Å; L14-L146 HydrophobicContact CD2-CD1 3.39Å; L14-L209 HydrophobicContact CD1-CD1 4.16Å; L14-L209 HydrophobicContact CD1-CD2 3.92Å; L14-L209 HydrophobicContact CD1-CG 3.66Å; L14-F232 HydrophobicContact CD1-CB 3.92Å; L14-C234 HydrophobicContact CD1-CB 3.76Å; L14-C234 HydrophobicContact CD2-CB 4.39Å; L14-C234 HydrophobicContact CG-CB 4.37Å
15I98.6Very high78.6Confident0 Ų060.8 Ų60.80%031%0.311CS..EExtended strand (participates in β ladder)trans-7896.2162.9-51.6178.4000106.7V52 F70 W212 F231 F232 M233 C234 E278 M282I15-V52 HydrophobicContact CG2-CG1 4.09Å; I15-F70 HydrophobicContact CD1-CD2 4.4Å; I15-F70 HydrophobicContact CD1-CE2 3.94Å; I15-F70 HydrophobicContact CD1-CZ 4.29Å; I15-F70 HydrophobicContact CG1-CD1 4.45Å; I15-F70 HydrophobicContact CG1-CD2 3.76Å; I15-F70 HydrophobicContact CG1-CE1 4.45Å; I15-F70 HydrophobicContact CG1-CE2 3.73Å; I15-F70 HydrophobicContact CG1-CG 4.13Å; I15-F70 HydrophobicContact CG1-CZ 4.08Å; I15-F70 HydrophobicContact CG2-CD1 4.41Å; I15-F70 HydrophobicContact CG2-CE1 4.04Å; I15-F70 HydrophobicContact CG2-CZ 4.13Å; I15-W212 HydrophobicContact CD1-CG 4.32Å; I15-F231 HydrophobicContact CD1-CD1 4.22Å; I15-F231 HydrophobicContact CG1-CD1 4.3Å; I15-F232 PolarHBondContact N-O 2.97Å; I15-M233 HydrophobicContact CB-CE 3.9Å; I15-M233 HydrophobicContact CB-SD 3.88Å; I15-M233 HydrophobicContact CD1-CE 3.97Å; I15-M233 HydrophobicContact CG2-CE 3.63Å; I15-M233 HydrophobicContact CG2-SD 3.66Å; I15-C234 PolarHBondContact O-N 3.21Å; I15-E278 HydrophobicContact CD1-CB 4.04Å; I15-E278 HydrophobicContact CD1-CG 4.36Å; I15-M282 HydrophobicContact CG2-CE 3.77Å; I15-M282 HydrophobicContact CG2-SD 3.7Å
16L98.1Very high78.3Confident0 Ų062 Ų620%032%0.324CS..EExtended strand (participates in β ladder)trans-94.9121.3179-17365.6000110.1L14 V52 L53 T138 V144 L146 C234 L236 W254L14-L16 HydrophobicContact CD2-CB 4.33Å; L14-L16 HydrophobicContact CD2-CD1 4.26Å; L14-L16 HydrophobicContact CG-CB 4.28Å; L14-L16 PolarHBondContact O-N 3.08Å; L14-L16 VanDerWaalsContact O-N 3.15Å; L16-V52 WeakPolarHBondContact O-CA 3.29Å; L16-L53 HydrophobicContact CB-CB 4.27Å; L16-L53 HydrophobicContact CD2-CD2 3.94Å; L16-L53 PolarHBondContact O-N 2.77Å; L16-T138 HydrophobicContact CD2-CG2 4.49Å; L16-V144 HydrophobicContact CD2-CB 4.47Å; L16-V144 HydrophobicContact CD2-CG1 3.93Å; L16-L146 HydrophobicContact CD1-CD1 4.2Å; L16-C234 HydrophobicContact CD1-CB 3.82Å; L16-L236 HydrophobicContact CD1-CD1 3.81Å; L16-L236 HydrophobicContact CD1-CG 3.86Å; L16-L236 HydrophobicContact CD2-CD1 4.32Å; L16-L236 HydrophobicContact CG-CD1 4.35Å; L16-W254 HydrophobicContact CD2-CH2 3.87Å; L16-W254 HydrophobicContact CD2-CZ2 4.39Å; L16-W254 HydrophobicContact CG-CH2 4Å
17T97.8Very high77.8Confident0 Ų057.7 Ų57.70%031%0.309CS..EExtended strand (participates in β ladder)trans-113.9149.6174.1630000110.6Y50 D51 V52 M233 C234 C235 L236 M282 L288 L291T17-Y50 HydrophobicContact CG2-CD2 3.92Å; T17-Y50 HydrophobicContact CG2-CE2 3.88Å; T17-D51 CarbonylContact C-O 3.56Å; T17-D51 VanDerWaalsContact CA-O 3.23Å; T17-D51 WeakPolarHBondContact CA-O 3.28Å; T17-V52 HydrophobicContact CG2-CG1 4.39Å; T17-V52 HydrophobicContact CG2-CG2 4.13Å; T17-M233 HydrophobicContact CG2-SD 4.11Å; T17-C234 PolarHBondContact N-O 3.16Å; T17-C234 PolarHBondContact OG1-O 2.78Å; T17-C235 WeakPolarHBondContact OG1-CA 3.23Å; T17-C235 PolarHBondContact OG1-SG 3.46Å; T17-L236 PolarHBondContact O-N 3Å; T17-M282 HydrophobicContact CG2-CE 3.44Å; T17-M282 VanDerWaalsContact CG2-CE 3.44Å; T17-L288 WeakPolarHBondContact OG1-CD1 3.15Å; T17-L291 HydrophobicContact CG2-CD2 3.95Å
18A94.6Very high76Confident0 Ų055.1 Ų55.10%031%0.305CS..EExtended strand (participates in β ladder)trans-140.9136.6176.800000112.3Y50 D51 L236 M239 W254A18-Y50 CarbonylContact O-C 3.56Å; A18-Y50 VanDerWaalsContact O-CA 3.22Å; A18-Y50 WeakPolarHBondContact O-CA 3.03Å; A18-Y50 VanDerWaalsContact O-CB 3.29Å; A18-Y50 WeakPolarHBondContact O-CB 3.32Å; A18-D51 PolarHBondContact N-O 2.78Å; A18-D51 PolarHBondContact O-N 3.5Å; A18-L236 CarbonylContact C-O 3.5Å; A18-L236 VanDerWaalsContact CA-O 3.22Å; A18-L236 WeakPolarHBondContact CA-O 3.45Å; A18-L236 HydrophobicContact CB-CB 4.28Å; A18-M239 HydrophobicContact CB-CB 4.1Å; A18-M239 HydrophobicContact CB-CG 4.25Å; A18-W254 HydrophobicContact CB-CE3 4.23Å; A18-W254 HydrophobicContact CB-CH2 3.73Å; A18-W254 HydrophobicContact CB-CZ3 3.52Å
19G93.3Very high73.6Confident7 Ų758.4 Ų58.47%0.07234%0.335CS..EExtended strand (participates in β ladder)trans-60.9139176.500000112.2D49 L236 Q237G19-D49 WeakPolarHBondContact CA-O 3.04Å; G19-L236 PolarHBondContact N-O 2.68Å; G19-Q237 WeakPolarHBondContact CA-O 3.3Å
20R86.9Confident71.4Confident95 Ų9562.6 Ų62.636%0.35835%0.348SS..  trans-80.9129.3171.5-64.9172.575.8126-6.7107.2L22 D49 D51R20-L22 HydrophobicContact CB-CD2 4.48Å; R20-L22 HydrophobicContact CB-CG 4.11Å; R20-L22 PolarHBondContact O-N 3.12Å; R20-D49 WeakPolarHBondContact CB-O 3.47Å; R20-D49 PolarHBondContact N-O 3.1Å; R20-D51 IonicContact CZ-OD1 3.74Å; R20-D51 IonicContact CZ-OD2 3.97Å; R20-D51 IonicContact NE-OD2 3.99Å; R20-D51 IonicContact NH1-OD1 2.78Å; R20-D51 PolarHBondContact NH1-OD1 3.06Å; R20-D51 IonicContact NH1-OD2 3.58Å
21R66.2Low68.7Low205 Ų20568 Ų6877%0.77438%0.382SS*.  trans-69.781.2164-69.5-171.3-177.2-174.64.5108.3E238R21-E238 IonicContact CZ-OE2 3.6Å; R21-E238 IonicContact NE-OE1 3.96Å; R21-E238 IonicContact NE-OE2 3.7Å; R21-E238 IonicContact NH2-OE1 3.64Å; R21-E238 IonicContact NH2-OE2 2.7Å; R21-E238 PolarHBondContact NH2-OE2 3.14Å
22L54.4Low66Low72 Ų7271.9 Ų71.938%0.37741%0.407SS..  trans-72.4128.7169.4-67.6169000107.3R20 A24 L27 D49R20-L22 HydrophobicContact CB-CD2 4.48Å; R20-L22 HydrophobicContact CB-CG 4.11Å; R20-L22 PolarHBondContact O-N 3.12Å; L22-A24 PolarHBondContact O-N 2.96Å; L22-L27 HydrophobicContact CD1-CD1 3.39Å; L22-L27 HydrophobicContact CD1-CG 4.3Å; L22-D49 HydrophobicContact CD1-CB 4.08Å
23G43.6Very low63.5Low62 Ų6278.2 Ų78.264%0.63944%0.44SS*.  trans-53.8136.3167.700000108.8D25G23-D25 PolarHBondContact O-N 3.17Å
24A37.2Very low60.9Low103 Ų10384.3 Ų84.385%0.85147%0.472SS*.THydrogen-bonded Turntrans-58.59.6-161.400000118L22L22-A24 PolarHBondContact O-N 2.96Å
25D38.5Very low58.2Low167 Ų16786.8 Ų86.889%0.89350%0.497SS*.THydrogen-bonded Turntrans-112.2-0.6-167.9-71.7-28.5000115.8G23G23-D25 PolarHBondContact O-N 3.17Å
26S40.4Very low55.5Low78 Ų7895 Ų9555%0.54554%0.541SS..SBendtrans-114.7-5.7-164.757.80000118.8
27L43.4Very low52.8Low87 Ų8797 Ų9746%0.45556%0.563SS.*  trans-131.899.3178.8-67.3174.2000112.5L22 D49L22-L27 HydrophobicContact CD1-CD1 3.39Å; L22-L27 HydrophobicContact CD1-CG 4.3Å; L27-D49 HydrophobicContact CD1-CB 4.25Å
28S37.2Very low50.4Low74 Ų74100.6 Ų100.652%0.51759%0.592SS.*  trans-60.5141160.548.20000110R30S28-R30 PolarHBondContact O-N 3.01Å
29P35.8Very low48.4Very low135 Ų135102.1 Ų102.188%0.87761%0.605SS**  trans-62.1107.7178.124.3-30.9000109.1
30R44.9Very low46.9Very low190 Ų190106.5 Ų106.572%0.71763%0.63SS**PPolyproline II helixtrans-98.6135.3178.1-72.8-177.4-177.8-173.72.1109.6S28S28-R30 PolarHBondContact O-N 3.01Å
31T38.3Very low46.6Very low130 Ų130111.5 Ų111.580%0.79865%0.649SS**PPolyproline II helixtrans-55.8138.5-179.4-37.40000110.3L33T31-L33 PolarHBondContact O-N 3.23Å
32P42Very low47.5Very low85 Ų85102.8 Ų102.855%0.55262%0.618SS**PPolyproline II helixtrans-53.1140.4177.7-23.932.1000111.5D34P32-D34 PolarHBondContact O-N 3.02Å
33L46.7Very low49Very low133 Ų133100 Ų10070%0.69660%0.603SS**  trans-64.2114.4159.8-77.8159.4000106.9T31 G35T31-L33 PolarHBondContact O-N 3.23Å; L33-G35 PolarHBondContact O-N 3.47Å; L33-G35 VanDerWaalsContact O-N 3.08Å
34D41.5Very low51.3Low147 Ų147101.9 Ų101.979%0.78660%0.596SS**  trans-50.9117178.8-83.6-34.2000110.6P32 N36 G37P32-D34 PolarHBondContact O-N 3.02Å; D34-N36 PolarHBondContact O-N 2.93Å; D34-G37 PolarHBondContact O-N 3.4Å
35G41.9Very low53.7Low52 Ų5298.1 Ų98.154%0.53656%0.563SS.*THydrogen-bonded Turntrans-66.35.6-170.400000116.4L33L33-G35 PolarHBondContact O-N 3.47Å; L33-G35 VanDerWaalsContact O-N 3.08Å
36N42.3Very low56.1Low173 Ų17394 Ų9493%0.92555%0.547SS*.THydrogen-bonded Turntrans-104-7.1-179.8-81.2-2.3000114.1D34D34-N36 PolarHBondContact O-N 2.93Å
37G42.8Very low58.6Low43 Ų4394 Ų9444%0.44354%0.539SS..SBendtrans-89138.7168.900000111.2D34 A39 R284D34-G37 PolarHBondContact O-N 3.4Å; G37-A39 VanDerWaalsContact C-N 3.34Å; G37-A39 PolarHBondContact O-N 3.34Å; G37-R284 PolarHBondContact O-NH1 2.98Å; G37-R284 VanDerWaalsContact O-NH1 3.1Å
38A46.6Very low61Low75 Ų7590 Ų9062%0.6252%0.518SS*.  trans-64.398.3163.700000107.7T40A38-T40 PolarHBondContact O-N 2.96Å
39A53.5Low63.8Low32 Ų3288.3 Ų88.326%0.26450%0.503SS..  trans-57113166.600000106.9G37 R41 V380G37-A39 VanDerWaalsContact C-N 3.34Å; G37-A39 PolarHBondContact O-N 3.34Å; A39-R41 VanDerWaalsContact C-N 3.31Å; A39-V380 HydrophobicContact CB-CG2 4.35Å; A39-V380 WeakPolarHBondContact O-CG1 3.36Å
40T60.9Low66.7Low98 Ų9881.9 Ų81.960%0.60146%0.461SS*.  trans-87.4-3.1-176.246.30000112.6A38 V381 P383A38-T40 PolarHBondContact O-N 2.96Å; T40-V381 CarbonylContact C-O 3.58Å; T40-P383 WeakPolarHBondContact O-CD 3.47Å
41R79.6Confident69.2Low201 Ų20173.4 Ų73.476%0.75843%0.43SS*.SBendtrans-130.7135.1-175.9-170.2-177.5174.5-177.8-0.6110.6A39 V380A39-R41 VanDerWaalsContact C-N 3.31Å; R41-V380 WeakPolarHBondContact O-CG1 3.48Å
42L85.1Confident72Confident22 Ų2267.2 Ų67.212%0.11539%0.392CS..PPolyproline II helixtrans-64.3128.5168.1-71.2168.9000109.8L261 C283 V380 T382L42-L261 HydrophobicContact CD2-CD1 3.83Å; L42-C283 HydrophobicContact CD2-CB 4.17Å; L42-V380 HydrophobicContact CD2-CB 4.15Å; L42-V380 HydrophobicContact CD2-CG1 3.93Å; L42-V380 HydrophobicContact CG-CG1 4.32Å; L42-T382 WeakPolarHBondContact CG-OG1 3.49Å
43P87.6Confident74.6Confident12 Ų1263.2 Ų63.28%0.07837%0.366CS..PPolyproline II helixtrans-60150173.925.7-34.1000110.7E47 F48 S258 C283 P286P43-E47 HydrophobicContact CB-CB 4.48Å; P43-F48 HydrophobicContact CB-CE2 3.97Å; P43-F48 HydrophobicContact CB-CZ 4.34Å; P43-F48 HydrophobicContact CG-CE2 3.52Å; P43-F48 HydrophobicContact CG-CZ 3.48Å; P43-F48 VanDerWaalsContact CG-CZ 3.48Å; P43-S258 WeakPolarHBondContact O-CB 3.4Å; P43-S258 PolarHBondContact O-OG 3.28Å; P43-C283 HydrophobicContact CG-CB 4.09Å; P43-C283 WeakPolarHBondContact CG-O 3.15Å; P43-P286 HydrophobicContact CB-CG 4.37Å
44H90.8Very high77Confident103 Ų10356.9 Ų56.948%0.47733%0.333SS..PPolyproline II helixtrans-71.5150.3173.6-169.8-95.1000110.2S46 E47H44-S46 PolarHBondContact ND1-N 3.07Å; H44-S46 PolarHBondContact ND1-OG 2.9Å; H44-S46 PolarHBondContact O-N 3.17Å; H44-E47 HydrophobicContact CB-CG 4.33Å; H44-E47 PolarHBondContact N-OE1 3.27Å; H44-E47 VanDerWaalsContact O-CB 3.3Å; H44-E47 WeakPolarHBondContact O-CB 3.43Å; H44-E47 PolarHBondContact O-N 3.43Å
45S87.6Confident79.5Confident23 Ų2349.9 Ų49.916%0.16130%0.295CS..G310 helixtrans-62.6-30.5-174.569.60000113.8E47 F48 T256 S258 E259S45-E47 PolarHBondContact O-N 2.76Å; S45-F48 PolarHBondContact O-N 3.18Å; S45-F48 VanDerWaalsContact O-N 3.13Å; S45-T256 WeakPolarHBondContact CB-OG1 3.26Å; S45-S258 WeakPolarHBondContact CA-OG 3.26Å; S45-E259 VanDerWaalsContact CB-CG 3.47Å; S45-E259 WeakPolarHBondContact CB-OE1 3.22Å; S45-E259 PolarHBondContact OG-OE1 3.29Å
46S89.5Confident81.9Confident82 Ų8249.2 Ų49.257%0.57328%0.278SS*.G310 helixtrans-66.2-11.3174.165.80000114.7H44 F48H44-S46 PolarHBondContact ND1-N 3.07Å; H44-S46 PolarHBondContact ND1-OG 2.9Å; H44-S46 PolarHBondContact O-N 3.17Å; S46-F48 VanDerWaalsContact C-N 3.34Å
47E92.2Very high84.2Confident78 Ų7842.8 Ų42.836%0.36424%0.241SC..G310 helixtrans-82.7-15.6175.1-60.1-178.8-113.900112.1P43 H44 S45 P286P43-E47 HydrophobicContact CB-CB 4.48Å; H44-E47 HydrophobicContact CB-CG 4.33Å; H44-E47 PolarHBondContact N-OE1 3.27Å; H44-E47 VanDerWaalsContact O-CB 3.3Å; H44-E47 WeakPolarHBondContact O-CB 3.43Å; H44-E47 PolarHBondContact O-N 3.43Å; S45-E47 PolarHBondContact O-N 2.76Å; E47-P286 HydrophobicContact CB-CB 4.2Å; E47-P286 WeakPolarHBondContact O-CB 3.46Å
48F94.6Very high86.3Confident2 Ų242 Ų421%0.00923%0.228CC..  trans-87.1136179.3-67.7-95.7000112.1P43 S45 S46 Y50 T256 P257 S258 P286P43-F48 HydrophobicContact CB-CE2 3.97Å; P43-F48 HydrophobicContact CB-CZ 4.34Å; P43-F48 HydrophobicContact CG-CE2 3.52Å; P43-F48 HydrophobicContact CG-CZ 3.48Å; P43-F48 VanDerWaalsContact CG-CZ 3.48Å; S45-F48 PolarHBondContact O-N 3.18Å; S45-F48 VanDerWaalsContact O-N 3.13Å; S46-F48 VanDerWaalsContact C-N 3.34Å; F48-Y50 HydrophobicContact CD1-CD1 4.39Å; F48-Y50 AromaticContact CD1-CE1 3.76Å; F48-Y50 HydrophobicContact CD1-CE1 3.76Å; F48-Y50 HydrophobicContact CD1-CE2 4.5Å; F48-Y50 AromaticContact CD1-CZ 3.81Å; F48-Y50 HydrophobicContact CE1-CE1 4.37Å; F48-T256 HydrophobicContact CB-CG2 3.69Å; F48-T256 HydrophobicContact CD2-CG2 4.3Å; F48-T256 HydrophobicContact CG-CG2 4.14Å; F48-P257 HydrophobicContact CD1-CG 4.17Å; F48-P257 HydrophobicContact CE1-CB 4.18Å; F48-P257 HydrophobicContact CE1-CG 3.68Å; F48-P257 HydrophobicContact CZ-CB 4.26Å; F48-P257 HydrophobicContact CZ-CG 4.24Å; F48-S258 WeakPolarHBondContact CE2-OG 3.31Å; F48-P286 VanDerWaalsContact CA-O 3.25Å; F48-P286 WeakPolarHBondContact CA-O 3.46Å; F48-P286 HydrophobicContact CD1-CB 4.33Å; F48-P286 HydrophobicContact CE1-CB 4.5Å; F48-P286 HydrophobicContact CG-CB 4.48Å
49D95.4Very high88.2Confident38 Ų3841.3 Ų41.320%0.20322%0.222CC..SBendtrans-99.88.4170.467.92.3000112.8G19 R20 L22 L27 P286 L287 L288G19-D49 WeakPolarHBondContact CA-O 3.04Å; R20-D49 WeakPolarHBondContact CB-O 3.47Å; R20-D49 PolarHBondContact N-O 3.1Å; L22-D49 HydrophobicContact CD1-CB 4.08Å; L27-D49 HydrophobicContact CD1-CB 4.25Å; D49-P286 PolarHBondContact N-O 2.91Å; D49-L287 HydrophobicContact CB-CD2 4.49Å; D49-L287 WeakPolarHBondContact OD1-CA 3.24Å; D49-L288 WeakPolarHBondContact OD1-CB 2.97Å; D49-L288 PolarHBondContact OD1-N 2.83Å; D49-L288 PolarHBondContact OD2-N 2.99Å
50Y96.6Very high89.7Confident0 Ų048.9 Ų48.90%025%0.249CC..EExtended strand (participates in β ladder)trans-141.8160.4178.471.4-88.9000113.1T17 A18 F48 V52 P257 M282 F285 P286 L288 L291T17-Y50 HydrophobicContact CG2-CD2 3.92Å; T17-Y50 HydrophobicContact CG2-CE2 3.88Å; A18-Y50 CarbonylContact O-C 3.56Å; A18-Y50 VanDerWaalsContact O-CA 3.22Å; A18-Y50 WeakPolarHBondContact O-CA 3.03Å; A18-Y50 VanDerWaalsContact O-CB 3.29Å; A18-Y50 WeakPolarHBondContact O-CB 3.32Å; F48-Y50 HydrophobicContact CD1-CD1 4.39Å; F48-Y50 AromaticContact CD1-CE1 3.76Å; F48-Y50 HydrophobicContact CD1-CE1 3.76Å; F48-Y50 HydrophobicContact CD1-CE2 4.5Å; F48-Y50 AromaticContact CD1-CZ 3.81Å; F48-Y50 HydrophobicContact CE1-CE1 4.37Å; Y50-V52 HydrophobicContact CD2-CG2 4.42Å; Y50-V52 HydrophobicContact CE2-CG2 4.04Å; Y50-P257 HydrophobicContact CE2-CG 3.84Å; Y50-M282 HydrophobicContact CE2-CE 4.02Å; Y50-M282 PolarHBondContact OH-O 3.27Å; Y50-F285 WeakPolarHBondContact CE1-O 3.28Å; Y50-F285 PolarHBondContact OH-O 3.39Å; Y50-P286 WeakPolarHBondContact CE1-O 3.26Å; Y50-L288 HydrophobicContact CD1-CB 3.95Å; Y50-L288 HydrophobicContact CD1-CD1 4.22Å; Y50-L288 HydrophobicContact CD2-CD1 4.45Å; Y50-L288 HydrophobicContact CG-CB 4.28Å; Y50-L288 HydrophobicContact CG-CD1 3.92Å; Y50-L291 HydrophobicContact CE1-CD2 4.31Å; Y50-L291 HydrophobicContact CE2-CD2 3.95Å
51D96.9Very high90.6Very high13 Ų1345.2 Ų45.27%0.0723%0.227CC..EExtended strand (participates in β ladder)trans-116.7159.8172-65.9-38.6000110.8T17 A18 R20 W254 T256T17-D51 CarbonylContact C-O 3.56Å; T17-D51 VanDerWaalsContact CA-O 3.23Å; T17-D51 WeakPolarHBondContact CA-O 3.28Å; A18-D51 PolarHBondContact N-O 2.78Å; A18-D51 PolarHBondContact O-N 3.5Å; R20-D51 IonicContact CZ-OD1 3.74Å; R20-D51 IonicContact CZ-OD2 3.97Å; R20-D51 IonicContact NE-OD2 3.99Å; R20-D51 IonicContact NH1-OD1 2.78Å; R20-D51 PolarHBondContact NH1-OD1 3.06Å; R20-D51 IonicContact NH1-OD2 3.58Å; D51-W254 HydrophobicContact CB-CB 3.93Å; D51-W254 HydrophobicContact CB-CE3 4.03Å; D51-T256 WeakPolarHBondContact OD1-CG2 3.48Å; D51-T256 PolarHBondContact OD1-N 2.8Å
52V97.7Very high90.7Very high0 Ų042.8 Ų42.80%024%0.235CC..EExtended strand (participates in β ladder)trans-112.1137.1175.8-164.10000109.6I15 L16 T17 Y50 F70 W254 S255 P257 I260 L279 M282I15-V52 HydrophobicContact CG2-CG1 4.09Å; L16-V52 WeakPolarHBondContact O-CA 3.29Å; T17-V52 HydrophobicContact CG2-CG1 4.39Å; T17-V52 HydrophobicContact CG2-CG2 4.13Å; Y50-V52 HydrophobicContact CD2-CG2 4.42Å; Y50-V52 HydrophobicContact CE2-CG2 4.04Å; V52-F70 HydrophobicContact CG1-CD1 4.18Å; V52-F70 HydrophobicContact CG1-CE1 3.66Å; V52-W254 WeakPolarHBondContact O-CA 3.46Å; V52-S255 PolarHBondContact N-O 2.87Å; V52-S255 PolarHBondContact O-N 3.26Å; V52-P257 HydrophobicContact CG2-CG 3.72Å; V52-I260 HydrophobicContact CB-CD1 4.22Å; V52-L279 HydrophobicContact CG2-CD2 4.49Å; V52-M282 HydrophobicContact CB-CE 4.41Å; V52-M282 HydrophobicContact CG1-CE 4.08Å; V52-M282 HydrophobicContact CG2-CE 3.39Å; V52-M282 HydrophobicContact CG2-SD 4.44Å
53L96.6Very high90.5Very high0 Ų043.7 Ų43.70%024%0.239CC..EExtended strand (participates in β ladder)trans-78.4124.4175.1-178.859.1000110.9L16 L55 P71 V144 F252 W254L16-L53 HydrophobicContact CB-CB 4.27Å; L16-L53 HydrophobicContact CD2-CD2 3.94Å; L16-L53 PolarHBondContact O-N 2.77Å; L53-L55 HydrophobicContact CD1-CD2 4.07Å; L53-L55 HydrophobicContact CG-CD2 4.22Å; L53-P71 HydrophobicContact CD2-CG 3.67Å; L53-P71 HydrophobicContact CG-CG 3.99Å; L53-V144 HydrophobicContact CD2-CG2 4.43Å; L53-F252 HydrophobicContact CD1-CB 4.04Å; L53-W254 HydrophobicContact CB-CD2 4.19Å; L53-W254 HydrophobicContact CB-CE3 4.01Å; L53-W254 HydrophobicContact CB-CH2 3.72Å; L53-W254 HydrophobicContact CB-CZ2 3.88Å; L53-W254 HydrophobicContact CB-CZ3 3.77Å; L53-W254 HydrophobicContact CD1-CD2 4.26Å; L53-W254 HydrophobicContact CD1-CZ2 4.1Å; L53-W254 HydrophobicContact CD2-CH2 4.46Å; L53-W254 HydrophobicContact CD2-CZ2 4.11Å; L53-W254 HydrophobicContact CG-CZ2 4.25Å
54L96.5Very high90.4Very high1 Ų144.7 Ų44.71%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-122.6148.1167.5-69.9178.4000111.2Y68 V69 F70 F252 Q253 I260L54-Y68 HydrophobicContact CB-CD1 4.23Å; L54-V69 CarbonylContact C-O 3.54Å; L54-V69 WeakPolarHBondContact CA-O 3.27Å; L54-F70 HydrophobicContact CD2-CD1 3.6Å; L54-F70 HydrophobicContact CD2-CE1 3.76Å; L54-F70 HydrophobicContact CD2-CG 4.41Å; L54-F252 CarbonylContact O-C 3.14Å; L54-F252 VanDerWaalsContact O-CA 3.29Å; L54-F252 WeakPolarHBondContact O-CA 3.39Å; L54-Q253 PolarHBondContact N-O 3.38Å; L54-Q253 PolarHBondContact O-N 2.86Å; L54-I260 HydrophobicContact CD1-CB 4.29Å; L54-I260 HydrophobicContact CD1-CD1 3.53Å; L54-I260 HydrophobicContact CD1-CG1 3.72Å; L54-I260 HydrophobicContact CD1-CG2 3.56Å; L54-I260 HydrophobicContact CG-CD1 4.08Å
55L94.1Very high90.2Very high0 Ų042.8 Ų42.80%024%0.239CC..EExtended strand (participates in β ladder)trans-119.8129.6178-50.9-176000109.2L53 Y68 V69 P71 E141 I249 F252L53-L55 HydrophobicContact CD1-CD2 4.07Å; L53-L55 HydrophobicContact CG-CD2 4.22Å; L55-Y68 CarbonylContact O-C 3.55Å; L55-Y68 VanDerWaalsContact O-CA 3.3Å; L55-Y68 WeakPolarHBondContact O-CA 3.3Å; L55-V69 HydrophobicContact CB-CG2 4.33Å; L55-V69 PolarHBondContact N-O 3.39Å; L55-V69 PolarHBondContact O-N 3.39Å; L55-P71 HydrophobicContact CD1-CB 3.84Å; L55-P71 HydrophobicContact CD1-CG 3.84Å; L55-P71 HydrophobicContact CG-CG 4.04Å; L55-E141 HydrophobicContact CD1-CB 3.44Å; L55-E141 VanDerWaalsContact CD1-CB 3.44Å; L55-E141 HydrophobicContact CD1-CG 4.39Å; L55-E141 WeakPolarHBondContact CD1-OE2 3.46Å; L55-I249 HydrophobicContact CB-CD1 3.81Å; L55-I249 HydrophobicContact CB-CG1 4.21Å; L55-I249 HydrophobicContact CB-CG2 3.84Å; L55-I249 HydrophobicContact CD1-CD1 4.17Å; L55-I249 HydrophobicContact CD1-CG1 4.1Å; L55-I249 HydrophobicContact CD2-CG2 4.36Å; L55-F252 HydrophobicContact CD2-CB 3.58Å
56K93.3Very high90.4Very high37 Ų3745 Ų4516%0.16125%0.249CC..EExtended strand (participates in β ladder)trans-84.1115.4172.8-173.3-171.2177.1-158.30109Y68 I249 E250 R251K56-Y68 HydrophobicContact CB-CD1 4.25Å; K56-Y68 HydrophobicContact CB-CD2 4.38Å; K56-Y68 HydrophobicContact CB-CE1 3.95Å; K56-Y68 HydrophobicContact CB-CE2 4.11Å; K56-Y68 HydrophobicContact CB-CG 4.47Å; K56-Y68 HydrophobicContact CD-CE2 4Å; K56-Y68 HydrophobicContact CG-CD2 4.18Å; K56-Y68 HydrophobicContact CG-CE2 3.78Å; K56-I249 WeakPolarHBondContact O-CA 3.49Å; K56-E250 HydrophobicContact CD-CB 4.28Å; K56-E250 VanDerWaalsContact CE-OE2 3.23Å; K56-E250 WeakPolarHBondContact CE-OE2 3.27Å; K56-E250 IonicContact NZ-OE1 2.86Å; K56-E250 PolarHBondContact NZ-OE1 2.74Å; K56-E250 IonicContact NZ-OE2 3.48Å; K56-E250 PolarHBondContact NZ-OE2 3.45Å; K56-E250 PolarHBondContact O-N 2.85Å; K56-R251 HydrophobicContact CB-CB 4.4Å; K56-R251 PolarHBondContact N-O 2.83Å
57R90.1Very high90.6Very high39 Ų3941.1 Ų41.115%0.14722%0.222CC..EExtended strand (participates in β ladder)trans-64.3141.5174.3-62.9-174.366.370.17.3110.7S61 F63 N66 A67 V69 E248R57-S61 PolarHBondContact NE-OG 2.83Å; R57-S61 VanDerWaalsContact NE-OG 3.16Å; R57-S61 PolarHBondContact NH2-OG 2.86Å; R57-F63 PolarHBondContact NE-O 3.32Å; R57-F63 VanDerWaalsContact NE-O 3.15Å; R57-N66 WeakPolarHBondContact O-CA 3.36Å; R57-N66 PolarHBondContact O-N 3.45Å; R57-A67 PolarHBondContact N-O 2.91Å; R57-V69 HydrophobicContact CG-CG1 4Å; R57-V69 HydrophobicContact CG-CG2 3.77Å; R57-E248 IonicContact NH2-OE1 3.34Å
58S87.6Confident90.8Very high26 Ų2638.6 Ų38.618%0.18221%0.209CC..  trans-53.2144.6172.5178.50000112.2K60 S61 E248S58-K60 PolarHBondContact O-N 3.3Å; S58-K60 VanDerWaalsContact O-N 3.08Å; S58-K60 PolarHBondContact OG-N 3.34Å; S58-S61 VanDerWaalsContact O-CB 3.26Å; S58-S61 WeakPolarHBondContact O-CB 3.19Å; S58-S61 PolarHBondContact O-N 3.35Å; S58-E248 VanDerWaalsContact CB-O 3.3Å; S58-E248 WeakPolarHBondContact CB-O 3.48Å; S58-E248 PolarHBondContact N-O 2.85Å
59A86.1Confident90.8Very high60 Ų6039.4 Ų39.450%0.49622%0.215SC..THydrogen-bonded Turntrans-57.6-20.5170.800000113.1S61 P65 N66A59-S61 VanDerWaalsContact C-N 3.33Å; A59-P65 WeakPolarHBondContact O-CB 3.46Å; A59-N66 WeakPolarHBondContact CB-OD1 3.35Å
60K84.1Confident90.9Very high191 Ų19137.9 Ų37.983%0.8321%0.206SC*.THydrogen-bonded Turntrans-84.9-2.8177.7-61.1177.7-177.2172.30113.6S58 T62S58-K60 PolarHBondContact O-N 3.3Å; S58-K60 VanDerWaalsContact O-N 3.08Å; S58-K60 PolarHBondContact OG-N 3.34Å; K60-T62 PolarHBondContact O-N 3.22Å
61S81.3Confident90.9Very high21 Ų2137.9 Ų37.915%0.14721%0.206CC..  trans-61.2133.5179.5177.50000111.4R57 S58 A59 F63R57-S61 PolarHBondContact NE-OG 2.83Å; R57-S61 VanDerWaalsContact NE-OG 3.16Å; R57-S61 PolarHBondContact NH2-OG 2.86Å; S58-S61 VanDerWaalsContact O-CB 3.26Å; S58-S61 WeakPolarHBondContact O-CB 3.19Å; S58-S61 PolarHBondContact O-N 3.35Å; A59-S61 VanDerWaalsContact C-N 3.33Å; S61-F63 VanDerWaalsContact C-N 3.26Å; S61-F63 PolarHBondContact O-N 3.5Å; S61-F63 PolarHBondContact OG-N 2.94Å; S61-F63 PolarHBondContact OG-O 3.34Å
62T80.3Confident90.8Very high151 Ų15137.8 Ų37.893%0.92621%0.208SC*.SBendtrans-73.7-18.8177.7560000113.2K60K60-T62 PolarHBondContact O-N 3.22Å
63F82Confident90.7Very high41 Ų4138.6 Ų38.618%0.1822%0.217CC..SBendtrans-125.4122.9176.9-172.9-100.2000109.5R57 S61 T217 Y222 F227R57-F63 PolarHBondContact NE-O 3.32Å; R57-F63 VanDerWaalsContact NE-O 3.15Å; S61-F63 VanDerWaalsContact C-N 3.26Å; S61-F63 PolarHBondContact O-N 3.5Å; S61-F63 PolarHBondContact OG-N 2.94Å; S61-F63 PolarHBondContact OG-O 3.34Å; F63-T217 HydrophobicContact CZ-CG2 4.48Å; F63-Y222 HydrophobicContact CE2-CG 4.17Å; F63-F227 HydrophobicContact CD1-CE2 4.09Å; F63-F227 HydrophobicContact CD2-CE2 4.01Å; F63-F227 HydrophobicContact CE1-CD2 4.18Å; F63-F227 HydrophobicContact CE1-CE2 4.15Å; F63-F227 HydrophobicContact CE2-CD2 4.23Å; F63-F227 HydrophobicContact CE2-CE2 4.05Å; F63-F227 HydrophobicContact CG-CE2 4.01Å; F63-F227 AromaticContact CZ-CD2 4Å; F63-F227 HydrophobicContact CZ-CD2 4Å; F63-F227 HydrophobicContact CZ-CE2 4.13Å
64M84.8Confident90.7Very high32 Ų3242.7 Ų42.716%0.15824%0.237CC..SBendtrans4862.1178.5-61.8-179.3176.300114.2A67 Y222 W270 A272M64-A67 HydrophobicContact CB-CB 3.95Å; M64-A67 VanDerWaalsContact O-CB 3.22Å; M64-A67 WeakPolarHBondContact O-CB 3.38Å; M64-A67 PolarHBondContact O-N 2.9Å; M64-Y222 HydrophobicContact CE-CD1 3.86Å; M64-Y222 HydrophobicContact CE-CD2 4.36Å; M64-Y222 HydrophobicContact CE-CE1 3.44Å; M64-Y222 VanDerWaalsContact CE-CE1 3.44Å; M64-Y222 HydrophobicContact CE-CE2 3.98Å; M64-Y222 HydrophobicContact CE-CG 4.3Å; M64-W270 HydrophobicContact CB-CZ3 4.14Å; M64-W270 HydrophobicContact CG-CH2 4.29Å; M64-W270 HydrophobicContact CG-CZ3 4.23Å; M64-W270 HydrophobicContact SD-CH2 4.18Å; M64-W270 HydrophobicContact SD-CZ3 4.2Å; M64-A272 HydrophobicContact CE-CB 4.03Å; M64-A272 HydrophobicContact SD-CB 3.66Å
65P88Confident90.7Very high63 Ų6344.3 Ų44.341%0.40925%0.246SC..THydrogen-bonded Turntrans-62.1146.5178.527.4-34.9000112.2A59 A67A59-P65 WeakPolarHBondContact O-CB 3.46Å; P65-A67 PolarHBondContact O-N 3.35Å; P65-A67 VanDerWaalsContact O-N 3.08Å
66N91.1Very high90.9Very high70 Ų7046.6 Ų46.637%0.37426%0.259SS..THydrogen-bonded Turntrans631.4-176.9-54.5-70.8000116R57 A59R57-N66 WeakPolarHBondContact O-CA 3.36Å; R57-N66 PolarHBondContact O-N 3.45Å; A59-N66 WeakPolarHBondContact CB-OD1 3.35Å
67A92.8Very high91.1Very high0 Ų049.5 Ų49.50%028%0.283CS..  trans-67.1140.1176.600000110.8R57 M64 P65 V69 W270R57-A67 PolarHBondContact N-O 2.91Å; M64-A67 HydrophobicContact CB-CB 3.95Å; M64-A67 VanDerWaalsContact O-CB 3.22Å; M64-A67 WeakPolarHBondContact O-CB 3.38Å; M64-A67 PolarHBondContact O-N 2.9Å; P65-A67 PolarHBondContact O-N 3.35Å; P65-A67 VanDerWaalsContact O-N 3.08Å; A67-V69 HydrophobicContact CB-CG1 4.2Å; A67-W270 HydrophobicContact CB-CE3 3.4Å; A67-W270 VanDerWaalsContact CB-CE3 3.4Å; A67-W270 HydrophobicContact CB-CZ3 3.45Å; A67-W270 VanDerWaalsContact CB-CZ3 3.45Å
68Y96.1Very high91.5Very high26 Ų2648.3 Ų48.310%0.10228%0.281CS..EExtended strand (participates in β ladder)trans-79.4133.8161.3-73.8-109.3000107.4L54 L55 K56 L269 W270 Q275L54-Y68 HydrophobicContact CB-CD1 4.23Å; L55-Y68 CarbonylContact O-C 3.55Å; L55-Y68 VanDerWaalsContact O-CA 3.3Å; L55-Y68 WeakPolarHBondContact O-CA 3.3Å; K56-Y68 HydrophobicContact CB-CD1 4.25Å; K56-Y68 HydrophobicContact CB-CD2 4.38Å; K56-Y68 HydrophobicContact CB-CE1 3.95Å; K56-Y68 HydrophobicContact CB-CE2 4.11Å; K56-Y68 HydrophobicContact CB-CG 4.47Å; K56-Y68 HydrophobicContact CD-CE2 4Å; K56-Y68 HydrophobicContact CG-CD2 4.18Å; K56-Y68 HydrophobicContact CG-CE2 3.78Å; Y68-L269 HydrophobicContact CD2-CB 3.54Å; Y68-L269 HydrophobicContact CE2-CB 3.52Å; Y68-L269 HydrophobicContact CG-CB 4.14Å; Y68-W270 PolarHBondContact N-O 3.39Å; Y68-Q275 VanDerWaalsContact O-CD 3.22Å; Y68-Q275 PolarHBondContact O-NE2 2.86Å; Y68-Q275 PolarHBondContact O-OE1 3.15Å
69V95.9Very high92Very high19 Ų1947.1 Ų47.112%0.11527%0.273CS..EExtended strand (participates in β ladder)trans-135.9150.9-177.3-58.80000111.2L54 L55 R57 A67 Q275L54-V69 CarbonylContact C-O 3.54Å; L54-V69 WeakPolarHBondContact CA-O 3.27Å; L55-V69 HydrophobicContact CB-CG2 4.33Å; L55-V69 PolarHBondContact N-O 3.39Å; L55-V69 PolarHBondContact O-N 3.39Å; R57-V69 HydrophobicContact CG-CG1 4Å; R57-V69 HydrophobicContact CG-CG2 3.77Å; A67-V69 HydrophobicContact CB-CG1 4.2Å; V69-Q275 VanDerWaalsContact CA-OE1 3.27Å
70F97.8Very high92.5Very high6 Ų645.6 Ų45.63%0.02626%0.255CS..  trans-64.5148.3159.7-61-50.2000109.6T13 I15 V52 L54 G72 F231 Q275 E278 L279T13-F70 HydrophobicContact CG2-CB 3.45Å; T13-F70 VanDerWaalsContact CG2-CB 3.45Å; T13-F70 HydrophobicContact CG2-CD2 4.11Å; T13-F70 HydrophobicContact CG2-CG 4.25Å; I15-F70 HydrophobicContact CD1-CD2 4.4Å; I15-F70 HydrophobicContact CD1-CE2 3.94Å; I15-F70 HydrophobicContact CD1-CZ 4.29Å; I15-F70 HydrophobicContact CG1-CD1 4.45Å; I15-F70 HydrophobicContact CG1-CD2 3.76Å; I15-F70 HydrophobicContact CG1-CE1 4.45Å; I15-F70 HydrophobicContact CG1-CE2 3.73Å; I15-F70 HydrophobicContact CG1-CG 4.13Å; I15-F70 HydrophobicContact CG1-CZ 4.08Å; I15-F70 HydrophobicContact CG2-CD1 4.41Å; I15-F70 HydrophobicContact CG2-CE1 4.04Å; I15-F70 HydrophobicContact CG2-CZ 4.13Å; V52-F70 HydrophobicContact CG1-CD1 4.18Å; V52-F70 HydrophobicContact CG1-CE1 3.66Å; L54-F70 HydrophobicContact CD2-CD1 3.6Å; L54-F70 HydrophobicContact CD2-CE1 3.76Å; L54-F70 HydrophobicContact CD2-CG 4.41Å; F70-G72 PolarHBondContact O-N 2.99Å; F70-F231 HydrophobicContact CD2-CD1 4.47Å; F70-F231 HydrophobicContact CD2-CE1 4.08Å; F70-F231 HydrophobicContact CE2-CE1 4.48Å; F70-Q275 HydrophobicContact CD2-CG 3.89Å; F70-Q275 HydrophobicContact CE2-CB 4.19Å; F70-Q275 HydrophobicContact CE2-CG 3.89Å; F70-E278 HydrophobicContact CE2-CB 4.4Å; F70-L279 HydrophobicContact CE1-CD2 4.05Å; F70-L279 HydrophobicContact CE1-CG 4.4Å; F70-L279 HydrophobicContact CZ-CD1 4.49Å; F70-L279 HydrophobicContact CZ-CD2 3.91Å; F70-L279 HydrophobicContact CZ-CG 3.85Å
71P96Very high93.2Very high0 Ų037.7 Ų37.70%022%0.224CC..SBendtrans-55.1138.6173.8-19.426.3000112.1T13 L14 L53 L55 T138 E141T13-P71 WeakPolarHBondContact CA-O 3.25Å; L14-P71 PolarHBondContact N-O 3.49Å; L14-P71 WeakPolarHBondContact O-CD 3.46Å; L53-P71 HydrophobicContact CD2-CG 3.67Å; L53-P71 HydrophobicContact CG-CG 3.99Å; L55-P71 HydrophobicContact CD1-CB 3.84Å; L55-P71 HydrophobicContact CD1-CG 3.84Å; L55-P71 HydrophobicContact CG-CG 4.04Å; P71-T138 HydrophobicContact CB-CG2 4.21Å; P71-T138 HydrophobicContact CG-CG2 4.48Å; P71-E141 VanDerWaalsContact CA-OE2 3.24Å; P71-E141 WeakPolarHBondContact CA-OE2 3.49Å
72G95.8Very high94Very high10 Ų1039.5 Ų39.510%0.10324%0.236CC..EExtended strand (participates in β ladder)trans152.3164.6178.300000114.2S12 F70 E141S12-G72 CarbonylContact O-C 3.5Å; S12-G72 WeakPolarHBondContact O-CA 3.4Å; F70-G72 PolarHBondContact O-N 2.99Å; G72-E141 PolarHBondContact N-OE2 3.2Å
73G95Very high94.8Very high18 Ų1836 Ų3619%0.18621%0.212CC..EExtended strand (participates in β ladder)trans-170.9-159.5-176.200000112.9A11 S12 E137A11-G73 CarbonylContact C-O 3.59Å; A11-G73 WeakPolarHBondContact CA-O 3.38Å; A11-G73 WeakPolarHBondContact CB-O 3.21Å; S12-G73 PolarHBondContact N-O 3.03Å; S12-G73 PolarHBondContact O-N 3.16Å; G73-E137 VanDerWaalsContact CA-OE2 3.26Å; G73-E137 WeakPolarHBondContact CA-OE2 3.24Å; G73-E137 PolarHBondContact N-OE2 2.84Å
74M96.5Very high95.6Very high86 Ų8634.1 Ų34.142%0.42420%0.204SC..EExtended strand (participates in β ladder)trans-74.6145.9-172.4-68.6179.9-65.800110.9K9 D76 R136 F227K9-M74 HydrophobicContact CD-CG 4.42Å; K9-M74 HydrophobicContact CD-SD 3.36Å; K9-M74 WeakPolarHBondContact CD-SD 3.29Å; M74-D76 PolarHBondContact O-N 2.69Å; M74-R136 PolarHBondContact O-NH2 2.91Å; M74-F227 HydrophobicContact CG-CD1 4.28Å; M74-F227 HydrophobicContact CG-CE1 3.7Å; M74-F227 HydrophobicContact SD-CE1 3.87Å
75V97.2Very high96.1Very high34 Ų3435 Ų3521%0.20621%0.209CC..PPolyproline II helixtrans-64.7135.6166.6-56.50000109.6E10 F80 L130 C133E10-V75 HydrophobicContact CB-CG1 4.16Å; E10-V75 HydrophobicContact CB-CG2 3.72Å; E10-V75 PolarHBondContact O-N 3.23Å; V75-F80 HydrophobicContact CB-CE2 4.05Å; V75-F80 HydrophobicContact CG1-CE2 4.43Å; V75-F80 HydrophobicContact CG2-CE2 4.13Å; V75-L130 HydrophobicContact CG1-CD2 3.74Å; V75-C133 HydrophobicContact CG1-CB 4.2Å
76D97.7Very high96.5Very high49 Ų4936.9 Ų36.926%0.26222%0.215SC..PPolyproline II helixtrans-100.2155.7170.2-175.3-100.1000110.2M74 S78 D79 P190M74-D76 PolarHBondContact O-N 2.69Å; D76-S78 PolarHBondContact O-N 2.84Å; D76-S78 VanDerWaalsContact OD1-CB 3.23Å; D76-S78 WeakPolarHBondContact OD1-CB 3.44Å; D76-S78 PolarHBondContact OD1-N 3.02Å; D76-S78 PolarHBondContact OD1-OG 3.49Å; D76-D79 PolarHBondContact N-OD2 3.18Å; D76-D79 WeakPolarHBondContact O-CB 3.28Å; D76-D79 PolarHBondContact O-N 2.73Å; D76-P190 HydrophobicContact CB-CB 3.85Å; D76-P190 HydrophobicContact CB-CG 4.08Å
77S96.9Very high96.8Very high97 Ų9734 Ų3468%0.67820%0.2SC*.G310 helixtrans-58.1-30.5175.862.40000113.4D79 F80 S81S77-D79 VanDerWaalsContact C-N 3.3Å; S77-D79 PolarHBondContact O-N 2.99Å; S77-F80 PolarHBondContact O-N 3.24Å; S77-F80 VanDerWaalsContact O-N 3.16Å; S77-S81 PolarHBondContact O-N 3.46Å
78S97.8Very high97Very high14 Ų1434 Ų3410%0.09820%0.2CC..G310 helixtrans-68.3-25.4176.961.60000113.3D76 F80 S81 W84D76-S78 PolarHBondContact O-N 2.84Å; D76-S78 VanDerWaalsContact OD1-CB 3.23Å; D76-S78 WeakPolarHBondContact OD1-CB 3.44Å; D76-S78 PolarHBondContact OD1-N 3.02Å; D76-S78 PolarHBondContact OD1-OG 3.49Å; S78-F80 PolarHBondContact O-N 3.36Å; S78-S81 WeakPolarHBondContact O-CB 3.33Å; S78-S81 PolarHBondContact O-N 2.73Å; S78-S81 VanDerWaalsContact O-N 3.09Å; S78-W84 PolarHBondContact O-NE1 3.17Å
79D98.4Very high96.9Very high1 Ų139.6 Ų39.61%0.00523%0.225CC..G310 helixtrans-64.4-21.6173.5-60-39000111.5D76 S77 A129 I132 C133 R136D76-D79 PolarHBondContact N-OD2 3.18Å; D76-D79 WeakPolarHBondContact O-CB 3.28Å; D76-D79 PolarHBondContact O-N 2.73Å; S77-D79 VanDerWaalsContact C-N 3.3Å; S77-D79 PolarHBondContact O-N 2.99Å; D79-A129 WeakPolarHBondContact O-CA 3.48Å; D79-A129 WeakPolarHBondContact O-CB 3.37Å; D79-I132 HydrophobicContact CB-CG2 4.41Å; D79-C133 HydrophobicContact CB-CB 4.37Å; D79-C133 WeakPolarHBondContact OD2-CB 3.45Å; D79-R136 IonicContact OD1-CZ 3.21Å; D79-R136 IonicContact OD1-NE 3.75Å; D79-R136 PolarHBondContact OD1-NE 3.47Å; D79-R136 IonicContact OD1-NH2 2.8Å; D79-R136 IonicContact OD2-CZ 3.97Å; D79-R136 IonicContact OD2-NE 3.75Å; D79-R136 PolarHBondContact OD2-NE 2.97Å; D79-R136 IonicContact OD2-NH2 2.84Å; D79-R136 PolarHBondContact OD2-NH2 3.3Å
80F97.8Very high96.9Very high28 Ų2841 Ų4112%0.12324%0.235CC..G310 helixtrans-105.39.4177.2-70-86.2000113.5V75 S77 S78 R117 S122 A129V75-F80 HydrophobicContact CB-CE2 4.05Å; V75-F80 HydrophobicContact CG1-CE2 4.43Å; V75-F80 HydrophobicContact CG2-CE2 4.13Å; S77-F80 PolarHBondContact O-N 3.24Å; S77-F80 VanDerWaalsContact O-N 3.16Å; S78-F80 PolarHBondContact O-N 3.36Å; F80-R117 HydrophobicContact CD1-CG 4.28Å; F80-R117 HydrophobicContact CE1-CG 3.84Å; F80-S122 WeakPolarHBondContact O-CB 3.4Å; F80-S122 PolarHBondContact O-OG 2.95Å; F80-A129 HydrophobicContact CD1-CB 3.4Å; F80-A129 HydrophobicContact CD2-CB 4.04Å; F80-A129 HydrophobicContact CE1-CB 3.28Å; F80-A129 HydrophobicContact CE2-CB 3.95Å; F80-A129 HydrophobicContact CG-CB 3.79Å; F80-A129 HydrophobicContact CZ-CB 3.57Å
81S97.8Very high96.7Very high25 Ų2540.8 Ų40.818%0.17524%0.235CC..  trans-63.3141.1-177.8-175.70000112.2S77 S78 D83 W84 I124S77-S81 PolarHBondContact O-N 3.46Å; S78-S81 WeakPolarHBondContact O-CB 3.33Å; S78-S81 PolarHBondContact O-N 2.73Å; S78-S81 VanDerWaalsContact O-N 3.09Å; S81-D83 PolarHBondContact O-N 3.11Å; S81-D83 PolarHBondContact OG-N 3.4Å; S81-D83 PolarHBondContact OG-OD2 3.17Å; S81-W84 PolarHBondContact O-N 3.4Å; S81-I124 WeakPolarHBondContact O-CG1 3.43Å
82S97.8Very high96.6Very high59 Ų5944.5 Ų44.541%0.41325%0.254SS..THydrogen-bonded Turntrans-62.2-21.417150.20000113.2W84 L85S82-W84 PolarHBondContact O-N 3.31Å; S82-L85 WeakPolarHBondContact O-CB 3.29Å; S82-L85 WeakPolarHBondContact O-CG 3.39Å; S82-L85 PolarHBondContact O-N 2.61Å
83D97.5Very high96.4Very high77 Ų7751.8 Ų51.841%0.41229%0.291SS..THydrogen-bonded Turntrans-66.2-19.2-178.7-57.5-17.9000112.2S81 L85 D86 M194S81-D83 PolarHBondContact O-N 3.11Å; S81-D83 PolarHBondContact OG-N 3.4Å; S81-D83 PolarHBondContact OG-OD2 3.17Å; D83-L85 PolarHBondContact O-N 2.88Å; D83-D86 PolarHBondContact O-N 2.94Å; D83-D86 VanDerWaalsContact O-N 3.09Å; D83-M194 HydrophobicContact CB-CE 3.55Å; D83-M194 HydrophobicContact CB-SD 3.48Å; D83-M194 WeakPolarHBondContact CB-SD 3.34Å
84W98.1Very high96.2Very high3 Ų352.3 Ų52.31%0.01129%0.291CS..Hα-helixtrans-61.2-21.6170-75.3113.3000112.9S78 S81 S82 D86 V87 F88 I124 I132 F193 M194 C197 P204S78-W84 PolarHBondContact O-NE1 3.17Å; S81-W84 PolarHBondContact O-N 3.4Å; S82-W84 PolarHBondContact O-N 3.31Å; W84-D86 PolarHBondContact O-N 2.89Å; W84-V87 HydrophobicContact CE3-CB 3.83Å; W84-V87 HydrophobicContact CE3-CG1 3.96Å; W84-V87 HydrophobicContact CE3-CG2 3.9Å; W84-V87 HydrophobicContact CZ3-CB 4.26Å; W84-V87 HydrophobicContact CZ3-CG1 3.94Å; W84-V87 HydrophobicContact CZ3-CG2 4.18Å; W84-V87 PolarHBondContact O-N 2.8Å; W84-F88 HydrophobicContact CB-CD2 4.41Å; W84-F88 HydrophobicContact CE3-CD2 4.17Å; W84-F88 AromaticContact CE3-CE2 3.81Å; W84-F88 HydrophobicContact CE3-CE2 3.81Å; W84-F88 HydrophobicContact CZ3-CE2 4.36Å; W84-F88 WeakPolarHBondContact O-CD2 3.15Å; W84-F88 PolarHBondContact O-N 2.85Å; W84-I124 HydrophobicContact CB-CD1 3.8Å; W84-I124 HydrophobicContact CB-CG1 4.19Å; W84-I132 HydrophobicContact CD2-CD1 3.78Å; W84-I132 HydrophobicContact CE3-CD1 4.22Å; W84-I132 HydrophobicContact CG-CD1 3.96Å; W84-I132 HydrophobicContact CH2-CG2 4.02Å; W84-I132 HydrophobicContact CZ2-CD1 4.43Å; W84-I132 HydrophobicContact CZ2-CG2 3.43Å; W84-I132 VanDerWaalsContact CZ2-CG2 3.43Å; W84-F193 AromaticContact CH2-CD1 3.78Å; W84-F193 HydrophobicContact CH2-CD1 3.78Å; W84-F193 AromaticContact CH2-CE1 3.98Å; W84-F193 HydrophobicContact CH2-CE1 3.98Å; W84-F193 HydrophobicContact CZ2-CD1 4.04Å; W84-M194 HydrophobicContact CD2-CG 4.05Å; W84-M194 HydrophobicContact CD2-SD 3.92Å; W84-M194 HydrophobicContact CE3-CG 4.12Å; W84-M194 HydrophobicContact CE3-SD 4.49Å; W84-M194 HydrophobicContact CG-SD 4.04Å; W84-M194 HydrophobicContact CH2-CB 3.77Å; W84-M194 HydrophobicContact CH2-CG 4.02Å; W84-M194 HydrophobicContact CZ2-CB 3.57Å; W84-M194 HydrophobicContact CZ2-CG 3.95Å; W84-M194 HydrophobicContact CZ2-SD 4.44Å; W84-M194 HydrophobicContact CZ3-CB 4.35Å; W84-M194 HydrophobicContact CZ3-CG 4.1Å; W84-C197 HydrophobicContact CZ3-CB 4.44Å; W84-P204 HydrophobicContact CE3-CG 4.46Å; W84-P204 HydrophobicContact CH2-CG 3.98Å; W84-P204 HydrophobicContact CZ3-CG 3.63Å
85L97.2Very high95.8Very high49 Ų4953.3 Ų53.326%0.25730%0.304SS..Hα-helixtrans-61.6-33.5173.9-61.8175.7000112S82 D83 F88 K89 L92 F97 P123 I124S82-L85 WeakPolarHBondContact O-CB 3.29Å; S82-L85 WeakPolarHBondContact O-CG 3.39Å; S82-L85 PolarHBondContact O-N 2.61Å; D83-L85 PolarHBondContact O-N 2.88Å; L85-F88 CarbonylContact O-C 3.4Å; L85-K89 WeakPolarHBondContact O-CA 3.48Å; L85-K89 PolarHBondContact O-N 3.33Å; L85-L92 HydrophobicContact CB-CD2 4.17Å; L85-L92 HydrophobicContact CD2-CD2 3.52Å; L85-L92 HydrophobicContact CG-CD2 4.44Å; L85-F97 HydrophobicContact CD2-CE1 4.19Å; L85-F97 HydrophobicContact CD2-CZ 3.76Å; L85-P123 HydrophobicContact CD1-CB 4.13Å; L85-P123 HydrophobicContact CD1-CG 3.83Å; L85-P123 HydrophobicContact CG-CG 4.33Å; L85-I124 HydrophobicContact CD2-CD1 3.79Å; L85-I124 HydrophobicContact CG-CD1 4.06Å
86D95.9Very high95.4Very high103 Ų10353.5 Ų53.555%0.55131%0.314SS*.Hα-helixtrans-75.9-36.9177.1-74.5-31.9000111.9D83 W84 K89D83-D86 PolarHBondContact O-N 2.94Å; D83-D86 VanDerWaalsContact O-N 3.09Å; W84-D86 PolarHBondContact O-N 2.89Å; D86-K89 WeakPolarHBondContact O-CB 3.45Å; D86-K89 PolarHBondContact O-N 3.19Å
87V96.5Very high95.3Very high9 Ų952 Ų526%0.05531%0.305CS..Hα-helixtrans-63.1-47.6174.5179.90000110W84 K89 M194 C197 Q198 L203W84-V87 HydrophobicContact CE3-CB 3.83Å; W84-V87 HydrophobicContact CE3-CG1 3.96Å; W84-V87 HydrophobicContact CE3-CG2 3.9Å; W84-V87 HydrophobicContact CZ3-CB 4.26Å; W84-V87 HydrophobicContact CZ3-CG1 3.94Å; W84-V87 HydrophobicContact CZ3-CG2 4.18Å; W84-V87 PolarHBondContact O-N 2.8Å; V87-K89 VanDerWaalsContact C-N 3.35Å; V87-K89 PolarHBondContact O-N 3.18Å; V87-M194 HydrophobicContact CG2-CG 4.01Å; V87-C197 HydrophobicContact CG1-CB 4.43Å; V87-Q198 HydrophobicContact CG2-CG 3.73Å; V87-L203 HydrophobicContact CG1-CD2 3.6Å; V87-L203 WeakPolarHBondContact O-CD2 3.34Å
88F96.6Very high95.1Very high0 Ų048 Ų480%028%0.279CS..THydrogen-bonded Turntrans-93.824.5-179.4-69.5-74.3000114.2W84 L85 S90 F91 L92 F97 I132 L203 P204 I206 W207W84-F88 HydrophobicContact CB-CD2 4.41Å; W84-F88 HydrophobicContact CE3-CD2 4.17Å; W84-F88 AromaticContact CE3-CE2 3.81Å; W84-F88 HydrophobicContact CE3-CE2 3.81Å; W84-F88 HydrophobicContact CZ3-CE2 4.36Å; W84-F88 WeakPolarHBondContact O-CD2 3.15Å; W84-F88 PolarHBondContact O-N 2.85Å; L85-F88 CarbonylContact O-C 3.4Å; F88-S90 PolarHBondContact O-N 3.17Å; F88-F91 HydrophobicContact CB-CB 4.48Å; F88-F91 HydrophobicContact CB-CD2 4.49Å; F88-F91 HydrophobicContact CD1-CD2 4.13Å; F88-F91 WeakPolarHBondContact O-CA 3.22Å; F88-F91 WeakPolarHBondContact O-CB 3.23Å; F88-F91 PolarHBondContact O-N 3.37Å; F88-L92 PolarHBondContact O-N 2.6Å; F88-F97 HydrophobicContact CB-CD1 3.64Å; F88-F97 HydrophobicContact CB-CE1 3.84Å; F88-F97 HydrophobicContact CG-CD1 4.12Å; F88-I132 HydrophobicContact CE2-CD1 4.09Å; F88-L203 HydrophobicContact CE1-CB 4.33Å; F88-P204 HydrophobicContact CE2-CG 4.12Å; F88-P204 HydrophobicContact CZ-CG 3.71Å; F88-I206 HydrophobicContact CE1-CD1 4.06Å; F88-I206 HydrophobicContact CE1-CG1 4.35Å; F88-I206 HydrophobicContact CZ-CD1 3.99Å; F88-I206 HydrophobicContact CZ-CG1 4.35Å; F88-I206 HydrophobicContact CZ-CG2 4.19Å; F88-W207 HydrophobicContact CD1-CH2 4.06Å; F88-W207 HydrophobicContact CD1-CZ2 4.11Å; F88-W207 AromaticContact CE1-CH2 3.7Å; F88-W207 HydrophobicContact CE1-CH2 3.7Å; F88-W207 AromaticContact CE1-CZ2 3.91Å; F88-W207 HydrophobicContact CE1-CZ2 3.91Å; F88-W207 HydrophobicContact CE1-CZ3 4.5Å
89K95.6Very high94.9Very high144 Ų14448.5 Ų48.563%0.62628%0.281SS*.G310 helixtrans-50.1-40.1-172.4-174.7172.3-176.9170.70114.2L85 D86 V87 F91 L92L85-K89 WeakPolarHBondContact O-CA 3.48Å; L85-K89 PolarHBondContact O-N 3.33Å; D86-K89 WeakPolarHBondContact O-CB 3.45Å; D86-K89 PolarHBondContact O-N 3.19Å; V87-K89 VanDerWaalsContact C-N 3.35Å; V87-K89 PolarHBondContact O-N 3.18Å; K89-F91 PolarHBondContact O-N 2.81Å; K89-L92 HydrophobicContact CG-CD1 4.42Å; K89-L92 WeakPolarHBondContact O-CG 3.42Å; K89-L92 PolarHBondContact O-N 3.13Å
90S94.4Very high94.6Very high48 Ų4854.1 Ų54.134%0.33630%0.302SS..G310 helixtrans-68.7-15.9179.9-55.60000113.8F88 E153F88-S90 PolarHBondContact O-N 3.17Å; S90-E153 VanDerWaalsContact CB-OE2 3.29Å; S90-E153 WeakPolarHBondContact CB-OE2 3.42Å; S90-E153 VanDerWaalsContact OG-CD 3.23Å; S90-E153 PolarHBondContact OG-OE1 3.34Å; S90-E153 PolarHBondContact OG-OE2 3.34Å
91F95Very high94.3Very high2 Ų257.6 Ų57.61%0.00933%0.329CS..G310 helixtrans-104.6-3-176.1-60.3-90.1000113.3F88 K89 N93 S94 F97 E153 I156 L157 F160 L203 W207F88-F91 HydrophobicContact CB-CB 4.48Å; F88-F91 HydrophobicContact CB-CD2 4.49Å; F88-F91 HydrophobicContact CD1-CD2 4.13Å; F88-F91 WeakPolarHBondContact O-CA 3.22Å; F88-F91 WeakPolarHBondContact O-CB 3.23Å; F88-F91 PolarHBondContact O-N 3.37Å; K89-F91 PolarHBondContact O-N 2.81Å; F91-N93 PolarHBondContact O-N 3.26Å; F91-S94 WeakPolarHBondContact O-CB 3.17Å; F91-S94 PolarHBondContact O-N 3.05Å; F91-F97 HydrophobicContact CB-CB 4.38Å; F91-F97 HydrophobicContact CB-CD1 4.33Å; F91-E153 HydrophobicContact CE2-CB 4.15Å; F91-E153 HydrophobicContact CZ-CB 4.17Å; F91-I156 HydrophobicContact CE1-CB 4.39Å; F91-I156 HydrophobicContact CE1-CG2 3.85Å; F91-I156 HydrophobicContact CZ-CB 4.28Å; F91-I156 HydrophobicContact CZ-CG2 4.07Å; F91-L157 HydrophobicContact CD1-CD2 3.56Å; F91-L157 HydrophobicContact CD1-CG 4.12Å; F91-L157 HydrophobicContact CE1-CD2 3.66Å; F91-L157 HydrophobicContact CE1-CG 3.7Å; F91-L157 HydrophobicContact CG-CD2 4.36Å; F91-L157 HydrophobicContact CZ-CG 4.18Å; F91-F160 AromaticContact CD1-CE2 3.75Å; F91-F160 HydrophobicContact CD1-CE2 3.75Å; F91-F160 HydrophobicContact CD1-CZ 4.24Å; F91-F160 AromaticContact CE1-CE2 3.64Å; F91-F160 HydrophobicContact CE1-CE2 3.64Å; F91-F160 AromaticContact CE1-CZ 3.91Å; F91-F160 HydrophobicContact CE1-CZ 3.91Å; F91-L203 HydrophobicContact CE2-CD1 3.62Å; F91-L203 HydrophobicContact CZ-CD1 4.28Å; F91-W207 HydrophobicContact CD1-CH2 4.36Å; F91-W207 AromaticContact CD1-CZ2 3.6Å; F91-W207 HydrophobicContact CD1-CZ2 3.6Å; F91-W207 HydrophobicContact CD2-CH2 4.23Å; F91-W207 HydrophobicContact CD2-CZ2 4.06Å; F91-W207 AromaticContact CE1-CH2 3.86Å; F91-W207 HydrophobicContact CE1-CH2 3.86Å; F91-W207 AromaticContact CE1-CZ2 3.42Å; F91-W207 HydrophobicContact CE1-CZ2 3.42Å; F91-W207 VanDerWaalsContact CE1-CZ2 3.42Å; F91-W207 AromaticContact CE2-CH2 3.73Å; F91-W207 HydrophobicContact CE2-CH2 3.73Å; F91-W207 AromaticContact CE2-CZ2 3.92Å; F91-W207 HydrophobicContact CE2-CZ2 3.92Å; F91-W207 AromaticContact CG-CZ2 3.92Å; F91-W207 HydrophobicContact CG-CZ2 3.92Å; F91-W207 AromaticContact CZ-CH2 3.51Å; F91-W207 HydrophobicContact CZ-CH2 3.51Å; F91-W207 AromaticContact CZ-CZ2 3.59Å; F91-W207 HydrophobicContact CZ-CZ2 3.59Å; F91-W207 HydrophobicContact CZ-CZ3 4.48Å
92L93.6Very high94.1Very high79 Ų7957 Ų5741%0.41433%0.325SS..THydrogen-bonded Turntrans-60-30.1-176.6-64.9178.9000113.8L85 F88 K89 S94 F97L85-L92 HydrophobicContact CB-CD2 4.17Å; L85-L92 HydrophobicContact CD2-CD2 3.52Å; L85-L92 HydrophobicContact CG-CD2 4.44Å; F88-L92 PolarHBondContact O-N 2.6Å; K89-L92 HydrophobicContact CG-CD1 4.42Å; K89-L92 WeakPolarHBondContact O-CG 3.42Å; K89-L92 PolarHBondContact O-N 3.13Å; L92-S94 VanDerWaalsContact C-N 3.34Å; L92-F97 HydrophobicContact CD2-CE1 3.68Å; L92-F97 HydrophobicContact CD2-CZ 4.05Å
93N91.5Very high94.1Very high163 Ų16360.8 Ų60.887%0.87233%0.334SS*.THydrogen-bonded Turntrans-86.9-5.8176.8-64.1-32.1000113F91F91-N93 PolarHBondContact O-N 3.26Å
94S91.2Very high94Very high28 Ų2857.6 Ų57.620%0.19632%0.316CS..SBendtrans-90.3127175.8-610000109.2F91 L92 G96 F97F91-S94 WeakPolarHBondContact O-CB 3.17Å; F91-S94 PolarHBondContact O-N 3.05Å; L92-S94 VanDerWaalsContact C-N 3.34Å; S94-G96 PolarHBondContact O-N 3.09Å; S94-F97 PolarHBondContact O-N 3.44Å
95P87.8Confident93.8Very high107 Ų10760.3 Ų60.370%0.69534%0.335SS*.G310 helixtrans-51.3132.2175.7-27.234.8000111F97 G98P95-F97 PolarHBondContact O-N 2.99Å; P95-F97 VanDerWaalsContact O-N 3.13Å; P95-G98 PolarHBondContact O-N 3.32Å
96G88.7Confident93.6Very high39 Ų3962.5 Ų62.540%0.40235%0.35SS..G310 helixtrans56.728.6-179.300000114.4S94 G98 L99S94-G96 PolarHBondContact O-N 3.09Å; G96-G98 PolarHBondContact O-N 2.82Å; G96-L99 VanDerWaalsContact O-CB 3.27Å; G96-L99 WeakPolarHBondContact O-CB 3.33Å; G96-L99 WeakPolarHBondContact O-CG 3.09Å; G96-L99 PolarHBondContact O-N 2.91Å
97F94.7Very high93.4Very high16 Ų1664.4 Ų64.47%0.0736%0.355CS..G310 helixtrans60.327.7-175.5-63.4-106.1000113.3L85 F88 F91 L92 S94 P95 I124 P125 V128 I206 W207L85-F97 HydrophobicContact CD2-CE1 4.19Å; L85-F97 HydrophobicContact CD2-CZ 3.76Å; F88-F97 HydrophobicContact CB-CD1 3.64Å; F88-F97 HydrophobicContact CB-CE1 3.84Å; F88-F97 HydrophobicContact CG-CD1 4.12Å; F91-F97 HydrophobicContact CB-CB 4.38Å; F91-F97 HydrophobicContact CB-CD1 4.33Å; L92-F97 HydrophobicContact CD2-CE1 3.68Å; L92-F97 HydrophobicContact CD2-CZ 4.05Å; S94-F97 PolarHBondContact O-N 3.44Å; P95-F97 PolarHBondContact O-N 2.99Å; P95-F97 VanDerWaalsContact O-N 3.13Å; F97-I124 HydrophobicContact CZ-CD1 4.27Å; F97-P125 HydrophobicContact CD2-CG 4.34Å; F97-P125 HydrophobicContact CE2-CG 4.02Å; F97-V128 HydrophobicContact CB-CG2 4.28Å; F97-V128 HydrophobicContact CD2-CG2 3.76Å; F97-V128 HydrophobicContact CE2-CG2 4.46Å; F97-V128 HydrophobicContact CG-CG2 4.21Å; F97-I206 HydrophobicContact CB-CD1 4.44Å; F97-W207 PolarHBondContact O-NE1 2.85Å
98G92.6Very high93.2Very high14 Ų1468.7 Ų68.714%0.14438%0.378CS..G310 helixtrans86.53.4-176.600000114.4P95 G96P95-G98 PolarHBondContact O-N 3.32Å; G96-G98 PolarHBondContact O-N 2.82Å
99L93.5Very high93Very high25 Ų2570.6 Ų70.613%0.13139%0.385CS..PPolyproline II helixtrans-70.4143168.8-64.2173.4000110.5G96 E127 V128 I206G96-L99 VanDerWaalsContact O-CB 3.27Å; G96-L99 WeakPolarHBondContact O-CB 3.33Å; G96-L99 WeakPolarHBondContact O-CG 3.09Å; G96-L99 PolarHBondContact O-N 2.91Å; L99-E127 HydrophobicContact CD1-CB 4.36Å; L99-V128 HydrophobicContact CD1-CG2 3.81Å; L99-I206 HydrophobicContact CD1-CD1 4.43Å; L99-I206 HydrophobicContact CD2-CD1 4.48Å; L99-I206 HydrophobicContact CD2-CG1 4.36Å; L99-I206 HydrophobicContact CG-CD1 4.4Å
100R91.9Very high93Very high119 Ų11963.8 Ų63.845%0.44936%0.356SS..PPolyproline II helixtrans-70135.3177-67.1173.561.8-150.4-9.5109.8V102 H296 T300R100-V102 PolarHBondContact O-N 2.91Å; R100-H296 PolarHBondContact NH1-CD2 2.91Å; R100-H296 VanDerWaalsContact NH1-CD2 3.27Å; R100-H296 PolarHBondContact NH1-NE2 3.21Å; R100-H296 PolarHBondContact NH1-O 3.19Å; R100-T300 HydrophobicContact CB-CG2 3.77Å; R100-T300 PolarHBondContact NH2-OG1 2.86Å
101S91.7Very high93Very high100 Ų10064.6 Ų64.670%0.69936%0.36SS*.PPolyproline II helixtrans-66.7130.6174.7-52.20000110.9
102V95.1Very high93Very high14 Ų1464.5 Ų64.59%0.08536%0.359CS..PPolyproline II helixtrans-84.1136.5170.9137.60000110.8R100 Q104 R109 T300 G302R100-V102 PolarHBondContact O-N 2.91Å; V102-Q104 VanDerWaalsContact C-N 3.31Å; V102-Q104 HydrophobicContact CG1-CB 3.75Å; V102-Q104 PolarHBondContact O-N 2.84Å; V102-R109 VanDerWaalsContact CG1-CZ 3.41Å; V102-R109 VanDerWaalsContact CG1-NE 3.3Å; V102-R109 VanDerWaalsContact CG1-NH2 3.35Å; V102-R109 PolarHBondContact O-NH2 2.93Å; V102-T300 CarbonylContact C-O 3.49Å; V102-T300 VanDerWaalsContact CA-O 3.27Å; V102-T300 WeakPolarHBondContact CA-O 3.39Å; V102-T300 WeakPolarHBondContact CB-O 3.28Å; V102-G302 VanDerWaalsContact CG1-CA 3.45Å
103K96Very high93Very high138 Ų13861.3 Ų61.360%0.634%0.342SS*.  trans-68.3-27-174.7-60.2170.9-173.3172.80113.2P105 T300 E301K103-P105 WeakPolarHBondContact O-CD 3.43Å; K103-T300 WeakPolarHBondContact CB-O 3.25Å; K103-T300 WeakPolarHBondContact CG-O 3.43Å; K103-T300 PolarHBondContact N-O 2.84Å; K103-E301 IonicContact NZ-OE1 2.97Å; K103-E301 PolarHBondContact NZ-OE1 3.32Å
104Q95.8Very high93.2Very high9 Ų955 Ų554%0.04231%0.313CS..SBendtrans-57.8125.2179.4-171.3-175.923.400110.3V102 N108 R109 C303 Y374V102-Q104 VanDerWaalsContact C-N 3.31Å; V102-Q104 HydrophobicContact CG1-CB 3.75Å; V102-Q104 PolarHBondContact O-N 2.84Å; Q104-N108 HydrophobicContact CG-CB 4.45Å; Q104-N108 PolarHBondContact NE2-O 2.82Å; Q104-R109 HydrophobicContact CB-CG 4.18Å; Q104-R109 HydrophobicContact CG-CG 3.97Å; Q104-R109 PolarHBondContact O-NE 3.24Å; Q104-R109 VanDerWaalsContact O-NE 3.08Å; Q104-C303 PolarHBondContact NE2-O 3.44Å; Q104-C303 PolarHBondContact OE1-O 3.48Å; Q104-Y374 HydrophobicContact CG-CE1 3.85Å; Q104-Y374 PolarHBondContact NE2-OH 3.03Å
105P94.9Very high93.3Very high61 Ų6155.5 Ų55.540%0.39632%0.315SS..  trans-58.6146.6177.2-2433.7000112.4K103 E107 N108 R109K103-P105 WeakPolarHBondContact O-CD 3.43Å; P105-E107 HydrophobicContact CB-CG 4.18Å; P105-E107 VanDerWaalsContact CB-OE1 3.23Å; P105-E107 WeakPolarHBondContact CB-OE1 3.33Å; P105-E107 VanDerWaalsContact CB-OE2 3.3Å; P105-E107 WeakPolarHBondContact CB-OE2 3.22Å; P105-E107 PolarHBondContact O-N 2.8Å; P105-N108 PolarHBondContact O-N 3.21Å; P105-N108 VanDerWaalsContact O-N 3.07Å; P105-R109 VanDerWaalsContact O-CG 3.24Å; P105-R109 WeakPolarHBondContact O-CG 3.44Å; P105-R109 PolarHBondContact O-N 2.8Å; P105-R109 VanDerWaalsContact O-N 3.12Å
106V91.7Very high93.5Very high95 Ų9554.4 Ų54.458%0.57630%0.303SS*.THydrogen-bonded Turntrans-62.3-31.7-173730000112.9N108 R109 A114V106-N108 VanDerWaalsContact C-N 3.27Å; V106-N108 PolarHBondContact O-N 3.21Å; V106-R109 PolarHBondContact O-N 2.61Å; V106-A114 HydrophobicContact CG2-CB 4.1Å
107E92Very high93.8Very high143 Ų14353.3 Ų53.367%0.66829%0.287SS*.THydrogen-bonded Turntrans-67.4-25.4177.961-88.5-155.100113.6P105P105-E107 HydrophobicContact CB-CG 4.18Å; P105-E107 VanDerWaalsContact CB-OE1 3.23Å; P105-E107 WeakPolarHBondContact CB-OE1 3.33Å; P105-E107 VanDerWaalsContact CB-OE2 3.3Å; P105-E107 WeakPolarHBondContact CB-OE2 3.22Å; P105-E107 PolarHBondContact O-N 2.8Å
108N91.9Very high93.8Very high99 Ų9958.5 Ų58.553%0.52931%0.314SS..THydrogen-bonded Turntrans-104.3-6.6179.6-66.1-20.2000112.3Q104 P105 V106Q104-N108 HydrophobicContact CG-CB 4.45Å; Q104-N108 PolarHBondContact NE2-O 2.82Å; P105-N108 PolarHBondContact O-N 3.21Å; P105-N108 VanDerWaalsContact O-N 3.07Å; V106-N108 VanDerWaalsContact C-N 3.27Å; V106-N108 PolarHBondContact O-N 3.21Å
109R94.1Very high93.9Very high39 Ų3966.3 Ų66.315%0.14734%0.344CS..SBendtrans-69.1147178-75.7-109.2-158.8126.71.7110.5V102 Q104 P105 V106 A114 E127V102-R109 VanDerWaalsContact CG1-CZ 3.41Å; V102-R109 VanDerWaalsContact CG1-NE 3.3Å; V102-R109 VanDerWaalsContact CG1-NH2 3.35Å; V102-R109 PolarHBondContact O-NH2 2.93Å; Q104-R109 HydrophobicContact CB-CG 4.18Å; Q104-R109 HydrophobicContact CG-CG 3.97Å; Q104-R109 PolarHBondContact O-NE 3.24Å; Q104-R109 VanDerWaalsContact O-NE 3.08Å; P105-R109 VanDerWaalsContact O-CG 3.24Å; P105-R109 WeakPolarHBondContact O-CG 3.44Å; P105-R109 PolarHBondContact O-N 2.8Å; P105-R109 VanDerWaalsContact O-N 3.12Å; V106-R109 PolarHBondContact O-N 2.61Å; R109-A114 HydrophobicContact CB-CB 3.75Å; R109-E127 IonicContact CZ-OE1 3.92Å; R109-E127 IonicContact NH1-OE1 2.76Å; R109-E127 PolarHBondContact NH1-OE1 2.99Å
110P94.8Very high93.8Very high2 Ų268.1 Ų68.11%0.01335%0.354CS..  trans-54137.9171.9-27.736.8000111.2I112 F113 A114 N214 C303 Q305P110-I112 HydrophobicContact CB-CG2 4.12Å; P110-I112 PolarHBondContact O-N 3.25Å; P110-I112 VanDerWaalsContact O-N 3.08Å; P110-F113 HydrophobicContact CB-CD2 3.83Å; P110-F113 HydrophobicContact CB-CE2 4.44Å; P110-F113 HydrophobicContact CG-CD2 3.87Å; P110-F113 HydrophobicContact CG-CE2 4.34Å; P110-F113 PolarHBondContact O-N 3.3Å; P110-A114 PolarHBondContact O-N 3.4Å; P110-N214 HydrophobicContact CB-CB 4.44Å; P110-N214 VanDerWaalsContact CB-OD1 3.27Å; P110-N214 WeakPolarHBondContact CB-OD1 3.39Å; P110-N214 HydrophobicContact CG-CB 4.35Å; P110-C303 WeakPolarHBondContact CD-O 3.5Å; P110-C303 WeakPolarHBondContact CG-O 3.39Å; P110-Q305 HydrophobicContact CB-CB 4.13Å; P110-Q305 HydrophobicContact CG-CB 4.48Å
111P93.9Very high93.9Very high64 Ų6465.8 Ų65.842%0.41637%0.367SS..Hα-helixtrans-52.9-36.2-176.4-30.136.1000113.8F113 A114 T115P111-F113 VanDerWaalsContact C-N 3.25Å; P111-F113 PolarHBondContact O-N 3.12Å; P111-A114 PolarHBondContact O-N 2.83Å; P111-T115 VanDerWaalsContact O-CB 3.3Å; P111-T115 WeakPolarHBondContact O-CB 3.36Å; P111-T115 PolarHBondContact O-N 3.21Å; P111-T115 PolarHBondContact O-OG1 3.02Å
112I94.8Very high94.1Very high0 Ų061.6 Ų61.60%034%0.338CS..Hα-helixtrans-57.6-36.6178-165.3168.8000112.7E10 P110 R117 L130 D228 A230E10-I112 HydrophobicContact CB-CD1 4.01Å; E10-I112 HydrophobicContact CB-CG1 4.46Å; E10-I112 HydrophobicContact CG-CD1 4.06Å; E10-I112 HydrophobicContact CG-CG1 4.12Å; P110-I112 HydrophobicContact CB-CG2 4.12Å; P110-I112 PolarHBondContact O-N 3.25Å; P110-I112 VanDerWaalsContact O-N 3.08Å; I112-R117 PolarHBondContact O-NH2 3.47Å; I112-L130 HydrophobicContact CD1-CD1 4.42Å; I112-L130 HydrophobicContact CD1-CD2 3.84Å; I112-L130 HydrophobicContact CG1-CD1 3.88Å; I112-L130 HydrophobicContact CG1-CD2 3.95Å; I112-D228 VanDerWaalsContact CD1-O 3.32Å; I112-D228 WeakPolarHBondContact CD1-O 3.32Å; I112-A230 HydrophobicContact CD1-CB 4.31Å
113F95.3Very high94.2Very high12 Ų1263.4 Ų63.45%0.05335%0.35CS..Hα-helixtrans-90.5-36.7177.5-60.2-58.5000113.1P110 P111 E127 L130 E211 N214 A230 F232P110-F113 HydrophobicContact CB-CD2 3.83Å; P110-F113 HydrophobicContact CB-CE2 4.44Å; P110-F113 HydrophobicContact CG-CD2 3.87Å; P110-F113 HydrophobicContact CG-CE2 4.34Å; P110-F113 PolarHBondContact O-N 3.3Å; P111-F113 VanDerWaalsContact C-N 3.25Å; P111-F113 PolarHBondContact O-N 3.12Å; F113-E127 HydrophobicContact CD1-CG 4.1Å; F113-L130 HydrophobicContact CD1-CD1 3.66Å; F113-L130 HydrophobicContact CE1-CD1 3.68Å; F113-E211 HydrophobicContact CE2-CG 4.37Å; F113-E211 HydrophobicContact CZ-CG 4.15Å; F113-N214 HydrophobicContact CE2-CB 4.1Å; F113-A230 HydrophobicContact CE1-CB 3.79Å; F113-A230 HydrophobicContact CZ-CB 3.56Å; F113-F232 HydrophobicContact CE1-CE1 4.32Å; F113-F232 HydrophobicContact CE1-CZ 4.08Å
114A94.4Very high94.2Very high31 Ų3156.9 Ų56.926%0.25632%0.321SS..Hα-helixtrans-76.3-22.7-174.900000114V106 R109 P110 P111 N116V106-A114 HydrophobicContact CG2-CB 4.1Å; R109-A114 HydrophobicContact CB-CB 3.75Å; P110-A114 PolarHBondContact O-N 3.4Å; P111-A114 PolarHBondContact O-N 2.83Å; A114-N116 PolarHBondContact O-N 3.42Å
115T93.7Very high94.2Very high39 Ų3958.9 Ų58.924%0.23934%0.335CS..SBendtrans-60.3123.1-173.8-68.90000111.5P111 R117 L120P111-T115 VanDerWaalsContact O-CB 3.3Å; P111-T115 WeakPolarHBondContact O-CB 3.36Å; P111-T115 PolarHBondContact O-N 3.21Å; P111-T115 PolarHBondContact O-OG1 3.02Å; T115-R117 PolarHBondContact O-N 2.99Å; T115-L120 HydrophobicContact CG2-CD1 3.57Å; T115-L120 HydrophobicContact CG2-CG 4.4Å
116N92.9Very high94.2Very high84 Ų8456.2 Ų56.245%0.44932%0.318SS..  trans-71.496172.6-175.8-20.5000110.2A114 L118 K119A114-N116 PolarHBondContact O-N 3.42Å; N116-L118 PolarHBondContact O-N 3.44Å; N116-L118 VanDerWaalsContact OD1-CB 3.3Å; N116-L118 WeakPolarHBondContact OD1-CB 3.41Å; N116-L118 PolarHBondContact OD1-N 3.41Å; N116-L118 VanDerWaalsContact OD1-N 3.13Å; N116-K119 HydrophobicContact CB-CD 4.28Å; N116-K119 HydrophobicContact CB-CG 4.3Å; N116-K119 WeakPolarHBondContact O-CB 3.41Å; N116-K119 PolarHBondContact O-N 3.38Å
117R94.5Very high94.3Very high15 Ų1553.2 Ų53.26%0.05730%0.298CS..G310 helixtrans-65.3-23.8-177.3-59.6-63.2174167.8-7.9113.7E10 F80 I112 T115 K119 L120 G121 S122 I124E10-R117 VanDerWaalsContact CD-NH2 3.28Å; E10-R117 IonicContact OE1-CZ 2.72Å; E10-R117 IonicContact OE1-NH1 3.6Å; E10-R117 PolarHBondContact OE1-NH1 3.31Å; E10-R117 IonicContact OE1-NH2 3.82Å; E10-R117 PolarHBondContact OE1-NH2 3.19Å; E10-R117 IonicContact OE2-CZ 3.14Å; E10-R117 IonicContact OE2-NH1 2.68Å; E10-R117 PolarHBondContact OE2-NH1 2.86Å; E10-R117 IonicContact OE2-NH2 2.68Å; E10-R117 PolarHBondContact OE2-NH2 2.8Å; E10-R117 VanDerWaalsContact OE2-NH2 3.11Å; F80-R117 HydrophobicContact CD1-CG 4.28Å; F80-R117 HydrophobicContact CE1-CG 3.84Å; I112-R117 PolarHBondContact O-NH2 3.47Å; T115-R117 PolarHBondContact O-N 2.99Å; R117-K119 VanDerWaalsContact C-N 3.29Å; R117-K119 PolarHBondContact O-N 2.74Å; R117-L120 CarbonylContact O-C 3.56Å; R117-L120 WeakPolarHBondContact O-CA 3.43Å; R117-L120 WeakPolarHBondContact O-CB 3.41Å; R117-L120 PolarHBondContact O-N 2.84Å; R117-G121 PolarHBondContact O-N 2.76Å; R117-S122 CarbonylContact C-O 3.51Å; R117-S122 PolarHBondContact O-N 2.91Å; R117-S122 VanDerWaalsContact O-N 3.08Å; R117-I124 WeakPolarHBondContact CB-O 3.47Å
118L94.6Very high94.6Very high125 Ų12546.4 Ų46.465%0.65427%0.267SS*.G310 helixtrans-61.8-39.5174.3-174.764.7000111.3N116 L120 G121 S122N116-L118 PolarHBondContact O-N 3.44Å; N116-L118 VanDerWaalsContact OD1-CB 3.3Å; N116-L118 WeakPolarHBondContact OD1-CB 3.41Å; N116-L118 PolarHBondContact OD1-N 3.41Å; N116-L118 VanDerWaalsContact OD1-N 3.13Å; L118-L120 PolarHBondContact O-N 2.87Å; L118-G121 PolarHBondContact O-N 3Å; L118-S122 WeakPolarHBondContact CA-O 3.39Å; L118-S122 PolarHBondContact N-O 3.31Å; L118-S122 VanDerWaalsContact N-O 3.15Å
119K94.3Very high94.9Very high178 Ų17841.7 Ų41.777%0.77424%0.241SC*.G310 helixtrans-65.4-16.7173.8-64.2-175.4178.4-178.60113.1N116 R117N116-K119 HydrophobicContact CB-CD 4.28Å; N116-K119 HydrophobicContact CB-CG 4.3Å; N116-K119 WeakPolarHBondContact O-CB 3.41Å; N116-K119 PolarHBondContact O-N 3.38Å; R117-K119 VanDerWaalsContact C-N 3.29Å; R117-K119 PolarHBondContact O-N 2.74Å
120L92.2Very high95.1Very high64 Ų6439.9 Ų39.934%0.33523%0.234SC..G310 helixtrans-100.86.7177-56.2-175.6000112.9N2 T115 R117 L118N2-L120 HydrophobicContact CB-CD1 4.1Å; N2-L120 HydrophobicContact CB-CD2 3.9Å; T115-L120 HydrophobicContact CG2-CD1 3.57Å; T115-L120 HydrophobicContact CG2-CG 4.4Å; R117-L120 CarbonylContact O-C 3.56Å; R117-L120 WeakPolarHBondContact O-CA 3.43Å; R117-L120 WeakPolarHBondContact O-CB 3.41Å; R117-L120 PolarHBondContact O-N 2.84Å; L118-L120 PolarHBondContact O-N 2.87Å
121G94.2Very high95.3Very high70 Ų7040.3 Ų40.372%0.72224%0.236SC*.THydrogen-bonded Turntrans90.210.6175.100000115.4R117 L118R117-G121 PolarHBondContact O-N 2.76Å; L118-G121 PolarHBondContact O-N 3Å
122S96.3Very high95.5Very high12 Ų1237.2 Ų37.28%0.08422%0.216CC..  trans-113.9127.1174.7175.50000111.1F80 R117 L118 I124F80-S122 WeakPolarHBondContact O-CB 3.4Å; F80-S122 PolarHBondContact O-OG 2.95Å; R117-S122 CarbonylContact C-O 3.51Å; R117-S122 PolarHBondContact O-N 2.91Å; R117-S122 VanDerWaalsContact O-N 3.08Å; L118-S122 WeakPolarHBondContact CA-O 3.39Å; L118-S122 PolarHBondContact N-O 3.31Å; L118-S122 VanDerWaalsContact N-O 3.15Å; S122-I124 PolarHBondContact O-N 3.4Å; S122-I124 PolarHBondContact OG-N 3.1Å; S122-I124 VanDerWaalsContact OG-N 3.12Å; S122-I124 PolarHBondContact OG-O 3.32Å
123P95.6Very high95.7Very high51 Ų5137.2 Ų37.233%0.33122%0.216SC..SBendtrans-74.8-9.3172.333.7-35.6000112.4L85 P125L85-P123 HydrophobicContact CD1-CB 4.13Å; L85-P123 HydrophobicContact CD1-CG 3.83Å; L85-P123 HydrophobicContact CG-CG 4.33Å; P123-P125 WeakPolarHBondContact O-CD 3.31Å
124I97.1Very high95.9Very high1 Ų136.7 Ų36.71%0.00521%0.213CC..SBendtrans-84.3121.4-179.7-53.4-53.3000109.2S81 W84 L85 F97 R117 S122 V128 A129S81-I124 WeakPolarHBondContact O-CG1 3.43Å; W84-I124 HydrophobicContact CB-CD1 3.8Å; W84-I124 HydrophobicContact CB-CG1 4.19Å; L85-I124 HydrophobicContact CD2-CD1 3.79Å; L85-I124 HydrophobicContact CG-CD1 4.06Å; F97-I124 HydrophobicContact CZ-CD1 4.27Å; R117-I124 WeakPolarHBondContact CB-O 3.47Å; S122-I124 PolarHBondContact O-N 3.4Å; S122-I124 PolarHBondContact OG-N 3.1Å; S122-I124 VanDerWaalsContact OG-N 3.12Å; S122-I124 PolarHBondContact OG-O 3.32Å; I124-V128 HydrophobicContact CG2-CB 3.89Å; I124-V128 HydrophobicContact CG2-CG1 3.78Å; I124-A129 HydrophobicContact CG2-CB 4.05Å
125P95.3Very high96.1Very high52 Ų5235.2 Ų35.234%0.33820%0.201SC..  trans-59.8149.7175.4-23.434000112.1F97 P123 E127 V128 A129F97-P125 HydrophobicContact CD2-CG 4.34Å; F97-P125 HydrophobicContact CE2-CG 4.02Å; P123-P125 WeakPolarHBondContact O-CD 3.31Å; P125-E127 VanDerWaalsContact C-N 3.32Å; P125-E127 PolarHBondContact O-N 3.25Å; P125-V128 HydrophobicContact CB-CG2 4.3Å; P125-V128 HydrophobicContact CG-CG2 4.33Å; P125-V128 PolarHBondContact O-N 3.19Å; P125-A129 PolarHBondContact O-N 3.01Å; P125-A129 VanDerWaalsContact O-N 3.09Å
126G94.9Very high96.3Very high4 Ų433.4 Ų33.44%0.04119%0.19CC..Hα-helixtrans-55.3-44.9179.900000112.9V128 A129 L130G126-V128 PolarHBondContact O-N 3.08Å; G126-A129 PolarHBondContact O-N 3.27Å; G126-L130 WeakPolarHBondContact O-CB 3.23Å; G126-L130 WeakPolarHBondContact O-CD1 3.47Å; G126-L130 WeakPolarHBondContact O-CG 3.39Å; G126-L130 PolarHBondContact O-N 2.86Å
127E94.4Very high96.5Very high32 Ų3230.3 Ų30.315%0.1517%0.173CC..Hα-helixtrans-60.4-27.9178.7-75.5-169.4-144.400114.7L99 R109 F113 P125 R131L99-E127 HydrophobicContact CD1-CB 4.36Å; R109-E127 IonicContact CZ-OE1 3.92Å; R109-E127 IonicContact NH1-OE1 2.76Å; R109-E127 PolarHBondContact NH1-OE1 2.99Å; F113-E127 HydrophobicContact CD1-CG 4.1Å; P125-E127 VanDerWaalsContact C-N 3.32Å; P125-E127 PolarHBondContact O-N 3.25Å; E127-R131 WeakPolarHBondContact O-CD 3.44Å; E127-R131 WeakPolarHBondContact O-CG 3.44Å; E127-R131 PolarHBondContact O-NH1 3.41Å
128V97.8Very high96.6Very high1 Ų129.6 Ų29.61%0.00617%0.17CC..Hα-helixtrans-79.7-51.8176.9175.70000109.5F97 L99 I124 P125 G126 L130 R131 I132 I206F97-V128 HydrophobicContact CB-CG2 4.28Å; F97-V128 HydrophobicContact CD2-CG2 3.76Å; F97-V128 HydrophobicContact CE2-CG2 4.46Å; F97-V128 HydrophobicContact CG-CG2 4.21Å; L99-V128 HydrophobicContact CD1-CG2 3.81Å; I124-V128 HydrophobicContact CG2-CB 3.89Å; I124-V128 HydrophobicContact CG2-CG1 3.78Å; P125-V128 HydrophobicContact CB-CG2 4.3Å; P125-V128 HydrophobicContact CG-CG2 4.33Å; P125-V128 PolarHBondContact O-N 3.19Å; G126-V128 PolarHBondContact O-N 3.08Å; V128-L130 VanDerWaalsContact C-N 3.33Å; V128-L130 PolarHBondContact O-N 3.03Å; V128-R131 PolarHBondContact O-N 2.93Å; V128-R131 VanDerWaalsContact O-N 3.12Å; V128-I132 HydrophobicContact CG1-CD1 3.86Å; V128-I132 HydrophobicContact CG1-CG1 4.49Å; V128-I132 WeakPolarHBondContact O-CG1 3.42Å; V128-I132 PolarHBondContact O-N 3.26Å; V128-I206 HydrophobicContact CG1-CD1 4.08Å; V128-I206 HydrophobicContact CG2-CD1 4.49Å
129A98.3Very high96.6Very high0 Ų023.6 Ų23.60%014%0.139CC..Hα-helixtrans-60-40.1-179.700000112.8D79 F80 I124 P125 G126 R131 I132 C133D79-A129 WeakPolarHBondContact O-CA 3.48Å; D79-A129 WeakPolarHBondContact O-CB 3.37Å; F80-A129 HydrophobicContact CD1-CB 3.4Å; F80-A129 HydrophobicContact CD2-CB 4.04Å; F80-A129 HydrophobicContact CE1-CB 3.28Å; F80-A129 HydrophobicContact CE2-CB 3.95Å; F80-A129 HydrophobicContact CG-CB 3.79Å; F80-A129 HydrophobicContact CZ-CB 3.57Å; I124-A129 HydrophobicContact CG2-CB 4.05Å; P125-A129 PolarHBondContact O-N 3.01Å; P125-A129 VanDerWaalsContact O-N 3.09Å; G126-A129 PolarHBondContact O-N 3.27Å; A129-R131 VanDerWaalsContact C-N 3.32Å; A129-R131 PolarHBondContact O-N 2.85Å; A129-I132 PolarHBondContact O-N 2.93Å; A129-C133 WeakPolarHBondContact O-CB 3.18Å; A129-C133 PolarHBondContact O-N 2.84Å
130L98.6Very high96.6Very high0 Ų016.2 Ų16.20%011%0.107CC..Hα-helixtrans-64.8-35176.9-67.1163.5000112.1S12 V75 I112 F113 G126 V128 C133 A134 A230 F232S12-L130 VanDerWaalsContact CB-O 3.25Å; S12-L130 WeakPolarHBondContact CB-O 3.32Å; S12-L130 WeakPolarHBondContact OG-CA 3.29Å; S12-L130 WeakPolarHBondContact OG-CD2 3.43Å; S12-L130 PolarHBondContact OG-O 2.76Å; V75-L130 HydrophobicContact CG1-CD2 3.74Å; I112-L130 HydrophobicContact CD1-CD1 4.42Å; I112-L130 HydrophobicContact CD1-CD2 3.84Å; I112-L130 HydrophobicContact CG1-CD1 3.88Å; I112-L130 HydrophobicContact CG1-CD2 3.95Å; F113-L130 HydrophobicContact CD1-CD1 3.66Å; F113-L130 HydrophobicContact CE1-CD1 3.68Å; G126-L130 WeakPolarHBondContact O-CB 3.23Å; G126-L130 WeakPolarHBondContact O-CD1 3.47Å; G126-L130 WeakPolarHBondContact O-CG 3.39Å; G126-L130 PolarHBondContact O-N 2.86Å; V128-L130 VanDerWaalsContact C-N 3.33Å; V128-L130 PolarHBondContact O-N 3.03Å; L130-C133 WeakPolarHBondContact O-CB 3.28Å; L130-A134 PolarHBondContact O-N 3.37Å; L130-A230 HydrophobicContact CD1-CB 4.34Å; L130-A230 HydrophobicContact CD2-CB 4.43Å; L130-F232 HydrophobicContact CB-CE2 3.95Å; L130-F232 HydrophobicContact CB-CZ 3.86Å
131R98.8Very high96.6Very high11 Ų1113.6 Ų13.64%0.0429%0.093CC..Hα-helixtrans-73.2-38174.7-74.517316969.32.2112.3E127 V128 A129 C133 A134 V135 I206 L209 F232E127-R131 WeakPolarHBondContact O-CD 3.44Å; E127-R131 WeakPolarHBondContact O-CG 3.44Å; E127-R131 PolarHBondContact O-NH1 3.41Å; V128-R131 PolarHBondContact O-N 2.93Å; V128-R131 VanDerWaalsContact O-N 3.12Å; A129-R131 VanDerWaalsContact C-N 3.32Å; A129-R131 PolarHBondContact O-N 2.85Å; R131-C133 VanDerWaalsContact C-N 3.33Å; R131-A134 PolarHBondContact O-N 3.29Å; R131-V135 WeakPolarHBondContact O-CG2 3.31Å; R131-V135 PolarHBondContact O-N 3.06Å; R131-I206 HydrophobicContact CB-CB 3.89Å; R131-I206 HydrophobicContact CB-CG2 3.81Å; R131-I206 WeakPolarHBondContact CD-O 3.29Å; R131-L209 HydrophobicContact CB-CD2 4.07Å; R131-L209 HydrophobicContact CG-CB 3.97Å; R131-L209 HydrophobicContact CG-CD2 4.03Å; R131-L209 PolarHBondContact NE-O 3.22Å; R131-L209 PolarHBondContact NH2-O 3.14Å; R131-F232 HydrophobicContact CG-CD1 4.23Å; R131-F232 HydrophobicContact CG-CD2 4.44Å; R131-F232 HydrophobicContact CG-CE1 3.95Å; R131-F232 HydrophobicContact CG-CE2 4.12Å; R131-F232 HydrophobicContact CG-CG 4.48Å; R131-F232 HydrophobicContact CG-CZ 3.86Å
132I98.8Very high96.5Very high0 Ų010.2 Ų10.20%06%0.059CC..Hα-helixtrans-58.8-48.8171.3-67.7166.7000109.5D79 W84 F88 V128 A129 A134 V135 R136 F193 P204 I206D79-I132 HydrophobicContact CB-CG2 4.41Å; W84-I132 HydrophobicContact CD2-CD1 3.78Å; W84-I132 HydrophobicContact CE3-CD1 4.22Å; W84-I132 HydrophobicContact CG-CD1 3.96Å; W84-I132 HydrophobicContact CH2-CG2 4.02Å; W84-I132 HydrophobicContact CZ2-CD1 4.43Å; W84-I132 HydrophobicContact CZ2-CG2 3.43Å; W84-I132 VanDerWaalsContact CZ2-CG2 3.43Å; F88-I132 HydrophobicContact CE2-CD1 4.09Å; V128-I132 HydrophobicContact CG1-CD1 3.86Å; V128-I132 HydrophobicContact CG1-CG1 4.49Å; V128-I132 WeakPolarHBondContact O-CG1 3.42Å; V128-I132 PolarHBondContact O-N 3.26Å; A129-I132 PolarHBondContact O-N 2.93Å; I132-A134 PolarHBondContact O-N 3.39Å; I132-V135 PolarHBondContact O-N 3.26Å; I132-R136 VanDerWaalsContact O-CB 3.29Å; I132-R136 WeakPolarHBondContact O-CB 3.26Å; I132-R136 PolarHBondContact O-N 3.49Å; I132-F193 HydrophobicContact CG2-CD1 4.45Å; I132-F193 HydrophobicContact CG2-CE1 4.43Å; I132-P204 HydrophobicContact CG1-CG 4.37Å; I132-I206 HydrophobicContact CG1-CG2 4.04Å
133C98.8Very high96.2Very high0 Ų09.8 Ų9.80%06%0.056CC..Hα-helixtrans-54.5-51.4174.8172.80000111.4V75 D79 A129 L130 R131 V135 R136 E137V75-C133 HydrophobicContact CG1-CB 4.2Å; D79-C133 HydrophobicContact CB-CB 4.37Å; D79-C133 WeakPolarHBondContact OD2-CB 3.45Å; A129-C133 WeakPolarHBondContact O-CB 3.18Å; A129-C133 PolarHBondContact O-N 2.84Å; L130-C133 WeakPolarHBondContact O-CB 3.28Å; R131-C133 VanDerWaalsContact C-N 3.33Å; C133-V135 VanDerWaalsContact C-N 3.34Å; C133-V135 PolarHBondContact O-N 2.99Å; C133-R136 PolarHBondContact O-N 2.89Å; C133-E137 WeakPolarHBondContact O-CB 3.38Å; C133-E137 VanDerWaalsContact O-CG 3.24Å; C133-E137 WeakPolarHBondContact O-CG 3.45Å; C133-E137 PolarHBondContact O-N 3.48Å
134A98.7Very high96Very high0 Ų07.5 Ų7.50%04%0.041CC..Hα-helixtrans-58.7-42.4179.200000113L14 L130 R131 I132 T138 L209 F232L14-A134 HydrophobicContact CB-CB 4.46Å; L130-A134 PolarHBondContact O-N 3.37Å; R131-A134 PolarHBondContact O-N 3.29Å; I132-A134 PolarHBondContact O-N 3.39Å; A134-T138 VanDerWaalsContact O-CB 3.3Å; A134-T138 WeakPolarHBondContact O-CB 3.43Å; A134-T138 PolarHBondContact O-N 3.31Å; A134-T138 PolarHBondContact O-OG1 3.33Å; A134-L209 HydrophobicContact CB-CD2 3.73Å; A134-F232 HydrophobicContact CB-CD2 3.82Å; A134-F232 HydrophobicContact CB-CE2 4.35Å
135V98.4Very high95.8Very high0 Ų09 Ų90%05%0.049CC..Hα-helixtrans-67.5-44.8177171.90000111.2R131 I132 C133 T138 F139 L146 F193 P204 L209R131-V135 WeakPolarHBondContact O-CG2 3.31Å; R131-V135 PolarHBondContact O-N 3.06Å; I132-V135 PolarHBondContact O-N 3.26Å; C133-V135 VanDerWaalsContact C-N 3.34Å; C133-V135 PolarHBondContact O-N 2.99Å; V135-T138 PolarHBondContact O-N 3.18Å; V135-F139 PolarHBondContact O-N 3.42Å; V135-L146 HydrophobicContact CG1-CB 4.07Å; V135-L146 WeakPolarHBondContact CG1-O 3.34Å; V135-L146 HydrophobicContact CG2-CB 4.32Å; V135-F193 HydrophobicContact CG1-CE1 4.38Å; V135-F193 HydrophobicContact CG1-CE2 4.49Å; V135-F193 HydrophobicContact CG1-CZ 3.68Å; V135-P204 HydrophobicContact CG1-CB 4.13Å; V135-L209 HydrophobicContact CG2-CD1 4.11Å; V135-L209 HydrophobicContact CG2-CD2 4.05Å
136R98.4Very high95.7Very high2 Ų27.1 Ų7.11%0.0084%0.036CC..Hα-helixtrans-60.6-53.7178.8176.2-176.757.766.85.7110.9M74 D79 I132 C133 T138 F139 E140 V186 F193M74-R136 PolarHBondContact O-NH2 2.91Å; D79-R136 IonicContact OD1-CZ 3.21Å; D79-R136 IonicContact OD1-NE 3.75Å; D79-R136 PolarHBondContact OD1-NE 3.47Å; D79-R136 IonicContact OD1-NH2 2.8Å; D79-R136 IonicContact OD2-CZ 3.97Å; D79-R136 IonicContact OD2-NE 3.75Å; D79-R136 PolarHBondContact OD2-NE 2.97Å; D79-R136 IonicContact OD2-NH2 2.84Å; D79-R136 PolarHBondContact OD2-NH2 3.3Å; I132-R136 VanDerWaalsContact O-CB 3.29Å; I132-R136 WeakPolarHBondContact O-CB 3.26Å; I132-R136 PolarHBondContact O-N 3.49Å; C133-R136 PolarHBondContact O-N 2.89Å; R136-T138 VanDerWaalsContact C-N 3.3Å; R136-T138 PolarHBondContact O-N 3.49Å; R136-F139 WeakPolarHBondContact O-CA 3.23Å; R136-F139 WeakPolarHBondContact O-CB 3.38Å; R136-F139 PolarHBondContact O-N 3.26Å; R136-E140 WeakPolarHBondContact CD-OE1 3.21Å; R136-E140 HydrophobicContact CG-CG 4.31Å; R136-E140 WeakPolarHBondContact CG-OE1 3.35Å; R136-E140 IonicContact CZ-OE1 2.69Å; R136-E140 IonicContact NE-OE1 2.83Å; R136-E140 IonicContact NH1-OE1 3.73Å; R136-E140 PolarHBondContact NH1-OE1 3.42Å; R136-E140 IonicContact NH1-OE2 3.56Å; R136-E140 PolarHBondContact NH1-OE2 3.31Å; R136-E140 WeakPolarHBondContact O-CG 3.24Å; R136-E140 PolarHBondContact O-N 2.81Å; R136-V186 HydrophobicContact CG-CG1 4.09Å; R136-F193 HydrophobicContact CB-CD1 3.82Å; R136-F193 HydrophobicContact CB-CD2 4.3Å; R136-F193 HydrophobicContact CB-CE1 4.12Å; R136-F193 HydrophobicContact CB-CG 3.95Å; R136-F193 HydrophobicContact CG-CB 3.92Å; R136-F193 HydrophobicContact CG-CD1 4.15Å; R136-F193 HydrophobicContact CG-CD2 4.25Å; R136-F193 HydrophobicContact CG-CG 3.84Å
137E97.6Very high95.7Very high18 Ų187.7 Ų7.78%0.0844%0.039CC..Hα-helixtrans-60.1-40.7179.2-68.3-76.2157.800111.1G73 C133 F139 E140 E141G73-E137 VanDerWaalsContact CA-OE2 3.26Å; G73-E137 WeakPolarHBondContact CA-OE2 3.24Å; G73-E137 PolarHBondContact N-OE2 2.84Å; C133-E137 WeakPolarHBondContact O-CB 3.38Å; C133-E137 VanDerWaalsContact O-CG 3.24Å; C133-E137 WeakPolarHBondContact O-CG 3.45Å; C133-E137 PolarHBondContact O-N 3.48Å; E137-F139 VanDerWaalsContact C-N 3.28Å; E137-F139 PolarHBondContact O-N 3.19Å; E137-E140 PolarHBondContact O-N 3.23Å; E137-E141 WeakPolarHBondContact O-CB 3.32Å; E137-E141 WeakPolarHBondContact O-CG 3.45Å; E137-E141 PolarHBondContact O-N 3.16Å
138T96.1Very high95.6Very high0 Ų07 Ų70%04%0.036CC..Hα-helixtrans-58.4-41.9174.2-60.50000111.5L14 L16 P71 A134 V135 R136 S142 V144L14-T138 HydrophobicContact CD2-CG2 4.18Å; L14-T138 WeakPolarHBondContact CD2-OG1 3.4Å; L16-T138 HydrophobicContact CD2-CG2 4.49Å; P71-T138 HydrophobicContact CB-CG2 4.21Å; P71-T138 HydrophobicContact CG-CG2 4.48Å; A134-T138 VanDerWaalsContact O-CB 3.3Å; A134-T138 WeakPolarHBondContact O-CB 3.43Å; A134-T138 PolarHBondContact O-N 3.31Å; A134-T138 PolarHBondContact O-OG1 3.33Å; V135-T138 PolarHBondContact O-N 3.18Å; R136-T138 VanDerWaalsContact C-N 3.3Å; R136-T138 PolarHBondContact O-N 3.49Å; T138-S142 WeakPolarHBondContact O-CB 3.44Å; T138-S142 PolarHBondContact O-N 2.92Å; T138-S142 PolarHBondContact O-OG 2.9Å; T138-V144 HydrophobicContact CG2-CB 4.11Å
139F95.1Very high95.3Very high0 Ų07.4 Ų7.40%04%0.039CC..Hα-helixtrans-68.3-44.6176176.8-116.2000112.4V135 R136 E137 E141 G143 V144 L145 L179 W182 R183 V186 F193 M196V135-F139 PolarHBondContact O-N 3.42Å; R136-F139 WeakPolarHBondContact O-CA 3.23Å; R136-F139 WeakPolarHBondContact O-CB 3.38Å; R136-F139 PolarHBondContact O-N 3.26Å; E137-F139 VanDerWaalsContact C-N 3.28Å; E137-F139 PolarHBondContact O-N 3.19Å; F139-E141 VanDerWaalsContact C-N 3.35Å; F139-E141 PolarHBondContact O-N 3.26Å; F139-G143 VanDerWaalsContact O-CA 3.23Å; F139-G143 WeakPolarHBondContact O-CA 3.21Å; F139-G143 PolarHBondContact O-N 2.97Å; F139-V144 WeakPolarHBondContact CA-O 3.39Å; F139-L145 HydrophobicContact CB-CD1 4.44Å; F139-L145 HydrophobicContact CD2-CB 3.87Å; F139-L145 HydrophobicContact CD2-CD1 3.95Å; F139-L145 HydrophobicContact CD2-CG 4.44Å; F139-L145 HydrophobicContact CE2-CB 4.17Å; F139-L145 HydrophobicContact CE2-CD1 4.34Å; F139-L145 HydrophobicContact CG-CD1 4.08Å; F139-L179 HydrophobicContact CE2-CD2 4.22Å; F139-W182 HydrophobicContact CE1-CB 4.46Å; F139-W182 HydrophobicContact CZ-CB 4.19Å; F139-R183 HydrophobicContact CE1-CB 3.89Å; F139-R183 HydrophobicContact CE1-CG 4.35Å; F139-R183 HydrophobicContact CE2-CB 4.21Å; F139-R183 HydrophobicContact CZ-CB 3.63Å; F139-R183 HydrophobicContact CZ-CG 4.34Å; F139-R183 WeakPolarHBondContact O-CD 3.35Å; F139-R183 PolarHBondContact O-NE 2.98Å; F139-V186 HydrophobicContact CD1-CG2 4.34Å; F139-V186 HydrophobicContact CE1-CB 4.39Å; F139-V186 HydrophobicContact CE1-CG2 3.99Å; F139-F193 HydrophobicContact CB-CE2 4.45Å; F139-F193 HydrophobicContact CD1-CD2 4.15Å; F139-F193 HydrophobicContact CD1-CE2 4.31Å; F139-M196 HydrophobicContact CD1-CE 4.37Å; F139-M196 HydrophobicContact CE1-CE 4.13Å; F139-M196 HydrophobicContact CE1-SD 3.79Å; F139-M196 HydrophobicContact CZ-SD 3.92Å
140E94.3Very high94.9Very high22 Ų2211 Ų1110%0.1036%0.055CC..Hα-helixtrans-57.3-45.1176.9-73.3175.6-173.400111.9R136 E137 R183 V186 N187R136-E140 WeakPolarHBondContact CD-OE1 3.21Å; R136-E140 HydrophobicContact CG-CG 4.31Å; R136-E140 WeakPolarHBondContact CG-OE1 3.35Å; R136-E140 IonicContact CZ-OE1 2.69Å; R136-E140 IonicContact NE-OE1 2.83Å; R136-E140 IonicContact NH1-OE1 3.73Å; R136-E140 PolarHBondContact NH1-OE1 3.42Å; R136-E140 IonicContact NH1-OE2 3.56Å; R136-E140 PolarHBondContact NH1-OE2 3.31Å; R136-E140 WeakPolarHBondContact O-CG 3.24Å; R136-E140 PolarHBondContact O-N 2.81Å; E137-E140 PolarHBondContact O-N 3.23Å; E140-R183 PolarHBondContact O-NE 3.44Å; E140-R183 PolarHBondContact O-NH2 3.29Å; E140-V186 HydrophobicContact CG-CB 4.39Å; E140-V186 HydrophobicContact CG-CG1 3.52Å; E140-V186 WeakPolarHBondContact OE1-CG1 3.25Å; E140-N187 VanDerWaalsContact CA-OD1 3.26Å; E140-N187 WeakPolarHBondContact CA-OD1 3.34Å; E140-N187 WeakPolarHBondContact CB-OD1 3.27Å; E140-N187 VanDerWaalsContact CG-OD1 3.27Å; E140-N187 WeakPolarHBondContact CG-OD1 3.4Å; E140-N187 PolarHBondContact O-OD1 3.16Å
141E92.3Very high94.5Very high9 Ų919.8 Ų19.84%0.0429%0.093CC..Hα-helixtrans-91.4-28.9-171.5-62.9-170.7133.500114.4L55 P71 G72 E137 F139 R183 I249L55-E141 HydrophobicContact CD1-CB 3.44Å; L55-E141 VanDerWaalsContact CD1-CB 3.44Å; L55-E141 HydrophobicContact CD1-CG 4.39Å; L55-E141 WeakPolarHBondContact CD1-OE2 3.46Å; P71-E141 VanDerWaalsContact CA-OE2 3.24Å; P71-E141 WeakPolarHBondContact CA-OE2 3.49Å; G72-E141 PolarHBondContact N-OE2 3.2Å; E137-E141 WeakPolarHBondContact O-CB 3.32Å; E137-E141 WeakPolarHBondContact O-CG 3.45Å; E137-E141 PolarHBondContact O-N 3.16Å; F139-E141 VanDerWaalsContact C-N 3.35Å; F139-E141 PolarHBondContact O-N 3.26Å; E141-R183 PolarHBondContact O-NH2 3.13Å; E141-I249 HydrophobicContact CB-CG1 4.01Å; E141-I249 HydrophobicContact CG-CG1 4.42Å
142S90.4Very high94Very high0 Ų020.9 Ų20.90%010%0.099CC..Hα-helixtrans-122.9-11.7-175.476.40000115.5T138 V144 L243T138-S142 WeakPolarHBondContact O-CB 3.44Å; T138-S142 PolarHBondContact O-N 2.92Å; T138-S142 PolarHBondContact O-OG 2.9Å; S142-V144 PolarHBondContact O-N 2.81Å; S142-V144 WeakPolarHBondContact OG-CB 3.48Å; S142-V144 WeakPolarHBondContact OG-CG2 3.3Å; S142-V144 PolarHBondContact OG-N 2.97Å; S142-L243 CarbonylContact C-O 3.49Å; S142-L243 PolarHBondContact O-N 3.18Å; S142-L243 VanDerWaalsContact O-O 3.12Å
143G90Very high93.6Very high3 Ų322.8 Ų22.83%0.03111%0.108CC..  trans71.90.2-172.200000114.6F139 L145F139-G143 VanDerWaalsContact O-CA 3.23Å; F139-G143 WeakPolarHBondContact O-CA 3.21Å; F139-G143 PolarHBondContact O-N 2.97Å; G143-L145 PolarHBondContact O-N 3.15Å
144V91.4Very high93Very high2 Ų229.9 Ų29.91%0.01214%0.139CC..  trans-73.3115.4174.3177.90000109.1L16 L53 T138 F139 S142 L146 P240 T242L16-V144 HydrophobicContact CD2-CB 4.47Å; L16-V144 HydrophobicContact CD2-CG1 3.93Å; L53-V144 HydrophobicContact CD2-CG2 4.43Å; T138-V144 HydrophobicContact CG2-CB 4.11Å; F139-V144 WeakPolarHBondContact CA-O 3.39Å; S142-V144 PolarHBondContact O-N 2.81Å; S142-V144 WeakPolarHBondContact OG-CB 3.48Å; S142-V144 WeakPolarHBondContact OG-CG2 3.3Å; S142-V144 PolarHBondContact OG-N 2.97Å; V144-L146 HydrophobicContact CG1-CD2 4Å; V144-L146 HydrophobicContact CG1-CG 4.25Å; V144-P240 HydrophobicContact CB-CG 4.45Å; V144-P240 HydrophobicContact CG1-CB 3.98Å; V144-P240 HydrophobicContact CG1-CG 3.7Å; V144-P240 HydrophobicContact CG2-CB 4.34Å; V144-P240 HydrophobicContact CG2-CG 3.83Å; V144-T242 HydrophobicContact CG2-CG2 3.65Å
145L92.9Very high92.5Very high33 Ų3335 Ų3517%0.17316%0.158CC..  trans-99.4105.9-179.5-176.660.7000111F139 G143 V147 L174 L179 F193 M196F139-L145 HydrophobicContact CB-CD1 4.44Å; F139-L145 HydrophobicContact CD2-CB 3.87Å; F139-L145 HydrophobicContact CD2-CD1 3.95Å; F139-L145 HydrophobicContact CD2-CG 4.44Å; F139-L145 HydrophobicContact CE2-CB 4.17Å; F139-L145 HydrophobicContact CE2-CD1 4.34Å; F139-L145 HydrophobicContact CG-CD1 4.08Å; G143-L145 PolarHBondContact O-N 3.15Å; L145-V147 HydrophobicContact CD1-CG1 3.54Å; L145-V147 HydrophobicContact CD2-CG1 4.26Å; L145-V147 HydrophobicContact CD2-CG2 3.98Å; L145-V147 HydrophobicContact CG-CB 4.36Å; L145-V147 HydrophobicContact CG-CG1 3.68Å; L145-V147 HydrophobicContact CG-CG2 3.85Å; L145-V147 PolarHBondContact O-N 2.91Å; L145-L174 HydrophobicContact CD2-CD1 4.22Å; L145-L179 HydrophobicContact CB-CD2 4.41Å; L145-L179 HydrophobicContact CD2-CD2 3.67Å; L145-F193 HydrophobicContact CD1-CE2 3.97Å; L145-M196 HydrophobicContact CD1-CE 3.47Å; L145-M196 VanDerWaalsContact CD1-CE 3.47Å; L145-M196 HydrophobicContact CD2-CE 4.25Å
146L94.4Very high91.9Very high13 Ų1335.8 Ų35.87%0.06816%0.162CC..  trans-9287.6177.7-59.7176.8000110.9L14 L16 V135 V144 N205 L209 L236L14-L146 HydrophobicContact CD2-CD1 3.39Å; L16-L146 HydrophobicContact CD1-CD1 4.2Å; V135-L146 HydrophobicContact CG1-CB 4.07Å; V135-L146 WeakPolarHBondContact CG1-O 3.34Å; V135-L146 HydrophobicContact CG2-CB 4.32Å; V144-L146 HydrophobicContact CG1-CD2 4Å; V144-L146 HydrophobicContact CG1-CG 4.25Å; L146-N205 PolarHBondContact O-N 2.85Å; L146-L209 HydrophobicContact CD1-CD1 4.48Å; L146-L236 HydrophobicContact CD2-CD1 4.09Å; L146-L236 HydrophobicContact CD2-CD2 4.03Å
147V94.3Very high91.4Very high16 Ų1637.9 Ų37.910%0.09717%0.173CC..EExtended strand (participates in β ladder)trans-132.3162.7-178.7-63.30000111.8L145 H172 V202 L203L145-V147 HydrophobicContact CD1-CG1 3.54Å; L145-V147 HydrophobicContact CD2-CG1 4.26Å; L145-V147 HydrophobicContact CD2-CG2 3.98Å; L145-V147 HydrophobicContact CG-CB 4.36Å; L145-V147 HydrophobicContact CG-CG1 3.68Å; L145-V147 HydrophobicContact CG-CG2 3.85Å; L145-V147 PolarHBondContact O-N 2.91Å; V147-H172 HydrophobicContact CG2-CB 4.49Å; V147-V202 HydrophobicContact CB-CB 3.92Å; V147-V202 HydrophobicContact CB-CG2 3.98Å; V147-V202 HydrophobicContact CG1-CB 4.4Å; V147-V202 HydrophobicContact CG1-CG2 3.93Å; V147-V202 HydrophobicContact CG2-CB 4Å; V147-V202 HydrophobicContact CG2-CG1 4.1Å; V147-V202 HydrophobicContact CG2-CG2 4.12Å; V147-L203 CarbonylContact C-O 3.47Å; V147-L203 WeakPolarHBondContact CA-O 3.48Å; V147-L203 WeakPolarHBondContact CB-O 3.4Å
148V91.8Very high90.7Very high16 Ų1643.9 Ų43.910%0.09720%0.199CC..EExtended strand (participates in β ladder)trans-118.6140.4168.5-66.20000109.6K150 I156 V202 L203 N205 W207V148-K150 PolarHBondContact O-N 2.68Å; V148-I156 HydrophobicContact CB-CD1 3.86Å; V148-I156 HydrophobicContact CG1-CD1 4.04Å; V148-I156 HydrophobicContact CG2-CD1 3.52Å; V148-V202 CarbonylContact O-C 3.49Å; V148-V202 VanDerWaalsContact O-CA 3.31Å; V148-V202 WeakPolarHBondContact O-CA 3.29Å; V148-L203 HydrophobicContact CG2-CB 3.74Å; V148-L203 HydrophobicContact CG2-CD1 4.28Å; V148-L203 HydrophobicContact CG2-CG 4.34Å; V148-L203 PolarHBondContact N-O 2.84Å; V148-L203 PolarHBondContact O-N 2.76Å; V148-N205 HydrophobicContact CG1-CB 3.99Å; V148-W207 HydrophobicContact CG2-CZ3 3.78Å
149P92Very high90Very high11 Ų1144.6 Ų44.67%0.07120%0.204CC..EExtended strand (participates in β ladder)trans-61.1135172.7-21.933.2000111K151 E152P149-K151 HydrophobicContact CB-CD 4.41Å; P149-K151 HydrophobicContact CB-CG 3.8Å; P149-K151 PolarHBondContact O-N 2.98Å; P149-K151 VanDerWaalsContact O-N 3.16Å; P149-E152 HydrophobicContact CB-CG 4.35Å; P149-E152 WeakPolarHBondContact O-CB 3.39Å; P149-E152 PolarHBondContact O-N 3.35Å
150K90.7Very high89.1Confident76 Ų7648 Ų4833%0.3322%0.219SC..G310 helixtrans-59.2-30.9-179.4-171.7173.6-173.9175.30112.9V148 E152 E153 E201V148-K150 PolarHBondContact O-N 2.68Å; K150-E152 PolarHBondContact O-N 3.05Å; K150-E152 VanDerWaalsContact O-N 3.08Å; K150-E153 VanDerWaalsContact O-CB 3.26Å; K150-E153 WeakPolarHBondContact O-CB 3.38Å; K150-E153 VanDerWaalsContact O-CG 3.26Å; K150-E153 WeakPolarHBondContact O-CG 3.41Å; K150-E153 PolarHBondContact O-N 3.37Å; K150-E201 HydrophobicContact CB-CB 4.28Å; K150-E201 WeakPolarHBondContact CB-O 3.4Å; K150-E201 PolarHBondContact N-O 3.26Å
151K89.8Confident87.6Confident183 Ų18354.9 Ų54.980%0.79625%0.251SS*.G310 helixtrans-57.2-21171.965.4-178.5-179.1-174.20114.3P149P149-K151 HydrophobicContact CB-CD 4.41Å; P149-K151 HydrophobicContact CB-CG 3.8Å; P149-K151 PolarHBondContact O-N 2.98Å; P149-K151 VanDerWaalsContact O-N 3.16Å
152E88.3Confident85.9Confident34 Ų3459.3 Ų59.316%0.15928%0.275CS..G310 helixtrans-90.4-0.3177.6-60.7-164.1-150.400113.4P149 K150 K154 R155 I156 T170P149-E152 HydrophobicContact CB-CG 4.35Å; P149-E152 WeakPolarHBondContact O-CB 3.39Å; P149-E152 PolarHBondContact O-N 3.35Å; K150-E152 PolarHBondContact O-N 3.05Å; K150-E152 VanDerWaalsContact O-N 3.08Å; E152-K154 PolarHBondContact O-N 3.27Å; E152-K154 VanDerWaalsContact O-N 3.1Å; E152-R155 WeakPolarHBondContact O-CA 3.36Å; E152-R155 WeakPolarHBondContact O-CB 3.17Å; E152-R155 PolarHBondContact O-N 3.18Å; E152-R155 IonicContact OE2-NH1 3.62Å; E152-I156 PolarHBondContact O-N 3.19Å; E152-I156 VanDerWaalsContact O-N 3.07Å; E152-T170 WeakPolarHBondContact OE1-CB 3.27Å; E152-T170 PolarHBondContact OE1-OG1 2.94Å
153E89.4Confident83.9Confident40 Ų4066 Ų6619%0.18732%0.316CS..Hα-helixtrans-51.9-40-177.269-177.4-175.700113.2S90 F91 K150 R155 I156 L157S90-E153 VanDerWaalsContact CB-OE2 3.29Å; S90-E153 WeakPolarHBondContact CB-OE2 3.42Å; S90-E153 VanDerWaalsContact OG-CD 3.23Å; S90-E153 PolarHBondContact OG-OE1 3.34Å; S90-E153 PolarHBondContact OG-OE2 3.34Å; F91-E153 HydrophobicContact CE2-CB 4.15Å; F91-E153 HydrophobicContact CZ-CB 4.17Å; K150-E153 VanDerWaalsContact O-CB 3.26Å; K150-E153 WeakPolarHBondContact O-CB 3.38Å; K150-E153 VanDerWaalsContact O-CG 3.26Å; K150-E153 WeakPolarHBondContact O-CG 3.41Å; K150-E153 PolarHBondContact O-N 3.37Å; E153-R155 VanDerWaalsContact C-N 3.31Å; E153-R155 PolarHBondContact O-N 3.09Å; E153-I156 PolarHBondContact O-N 2.96Å; E153-L157 WeakPolarHBondContact O-CG 3.26Å; E153-L157 PolarHBondContact O-N 2.85Å
154K87.9Confident81.8Confident150 Ų15076.1 Ų76.165%0.65235%0.353SS*.Hα-helixtrans-67.7-33.7-180-67.9-177.7-179175.20111.8E152 K158E152-K154 PolarHBondContact O-N 3.27Å; E152-K154 VanDerWaalsContact O-N 3.1Å; K154-K158 VanDerWaalsContact O-CG 3.29Å; K154-K158 WeakPolarHBondContact O-CG 3.38Å; K154-K158 PolarHBondContact O-N 2.77Å
155R87.6Confident79.5Confident107 Ų10779.8 Ų79.840%0.40437%0.369SS..Hα-helixtrans-70.3-41.9176.7-173.6-177.2-179.6-163.5-2.8110E152 E153 K158 S159 F165E152-R155 WeakPolarHBondContact O-CA 3.36Å; E152-R155 WeakPolarHBondContact O-CB 3.17Å; E152-R155 PolarHBondContact O-N 3.18Å; E152-R155 IonicContact OE2-NH1 3.62Å; E153-R155 VanDerWaalsContact C-N 3.31Å; E153-R155 PolarHBondContact O-N 3.09Å; R155-K158 PolarHBondContact O-N 3.33Å; R155-S159 PolarHBondContact O-N 3.38Å; R155-F165 HydrophobicContact CG-CE2 4.14Å; R155-F165 HydrophobicContact CG-CZ 3.88Å
156I86.4Confident77.2Confident17 Ų1782.2 Ų82.29%0.08739%0.388CS..Hα-helixtrans-63.5-48176.5-61.3170000110.5F91 V148 E152 E153 K158 S159 F160 W207F91-I156 HydrophobicContact CE1-CB 4.39Å; F91-I156 HydrophobicContact CE1-CG2 3.85Å; F91-I156 HydrophobicContact CZ-CB 4.28Å; F91-I156 HydrophobicContact CZ-CG2 4.07Å; V148-I156 HydrophobicContact CB-CD1 3.86Å; V148-I156 HydrophobicContact CG1-CD1 4.04Å; V148-I156 HydrophobicContact CG2-CD1 3.52Å; E152-I156 PolarHBondContact O-N 3.19Å; E152-I156 VanDerWaalsContact O-N 3.07Å; E153-I156 PolarHBondContact O-N 2.96Å; I156-K158 VanDerWaalsContact C-N 3.27Å; I156-K158 PolarHBondContact O-N 3.04Å; I156-S159 WeakPolarHBondContact O-CA 3.14Å; I156-S159 WeakPolarHBondContact O-CB 3.26Å; I156-S159 PolarHBondContact O-N 3.43Å; I156-S159 PolarHBondContact O-OG 2.85Å; I156-F160 HydrophobicContact CG2-CE1 3.86Å; I156-F160 HydrophobicContact CG2-CE2 4.16Å; I156-F160 HydrophobicContact CG2-CZ 3.43Å; I156-F160 VanDerWaalsContact CG2-CZ 3.43Å; I156-F160 PolarHBondContact O-N 2.85Å; I156-W207 HydrophobicContact CD1-CE3 4.36Å; I156-W207 HydrophobicContact CD1-CZ3 3.98Å; I156-W207 HydrophobicContact CG2-CD2 4.07Å; I156-W207 HydrophobicContact CG2-CE3 4.04Å; I156-W207 HydrophobicContact CG2-CH2 4.44Å; I156-W207 HydrophobicContact CG2-CZ2 4.47Å; I156-W207 HydrophobicContact CG2-CZ3 4.25Å
157L85.9Confident75.2Confident46 Ų4684.3 Ų84.324%0.24140%0.398CS..Hα-helixtrans-57.3-39.8176.6-76.2166.2000112.7F91 E153 S159 F160F91-L157 HydrophobicContact CD1-CD2 3.56Å; F91-L157 HydrophobicContact CD1-CG 4.12Å; F91-L157 HydrophobicContact CE1-CD2 3.66Å; F91-L157 HydrophobicContact CE1-CG 3.7Å; F91-L157 HydrophobicContact CG-CD2 4.36Å; F91-L157 HydrophobicContact CZ-CG 4.18Å; E153-L157 WeakPolarHBondContact O-CG 3.26Å; E153-L157 PolarHBondContact O-N 2.85Å; L157-S159 VanDerWaalsContact C-N 3.35Å; L157-F160 HydrophobicContact CD2-CD2 4.29Å; L157-F160 HydrophobicContact CD2-CE2 4.09Å; L157-F160 PolarHBondContact O-N 3.24Å
158K84.5Confident72.8Confident143 Ų14389.9 Ų89.962%0.62242%0.423SS*.Hα-helixtrans-66.4-36.1174-73.7176.4-179.7-172.20112.2K154 R155 I156 F160 Q161K154-K158 VanDerWaalsContact O-CG 3.29Å; K154-K158 WeakPolarHBondContact O-CG 3.38Å; K154-K158 PolarHBondContact O-N 2.77Å; R155-K158 PolarHBondContact O-N 3.33Å; I156-K158 VanDerWaalsContact C-N 3.27Å; I156-K158 PolarHBondContact O-N 3.04Å; K158-F160 PolarHBondContact O-N 3.05Å; K158-Q161 WeakPolarHBondContact O-CB 3.48Å; K158-Q161 PolarHBondContact O-N 2.97Å
159S80.6Confident70.8Confident15 Ų1592.5 Ų92.511%0.10543%0.434CS..Hα-helixtrans-62.5-25.9179.377.80000113.4R155 I156 L157 Q161 D162R155-S159 PolarHBondContact O-N 3.38Å; I156-S159 WeakPolarHBondContact O-CA 3.14Å; I156-S159 WeakPolarHBondContact O-CB 3.26Å; I156-S159 PolarHBondContact O-N 3.43Å; I156-S159 PolarHBondContact O-OG 2.85Å; L157-S159 VanDerWaalsContact C-N 3.35Å; S159-Q161 PolarHBondContact O-N 2.88Å; S159-D162 CarbonylContact O-C 3.52Å; S159-D162 PolarHBondContact O-N 3.24Å
160F76.4Confident68.6Low73 Ų7395.3 Ų95.332%0.3245%0.451SS..THydrogen-bonded Turntrans-68.5-17.2175.3-53.5-33.7000113.4F91 I156 L157 K158 W207F91-F160 AromaticContact CD1-CE2 3.75Å; F91-F160 HydrophobicContact CD1-CE2 3.75Å; F91-F160 HydrophobicContact CD1-CZ 4.24Å; F91-F160 AromaticContact CE1-CE2 3.64Å; F91-F160 HydrophobicContact CE1-CE2 3.64Å; F91-F160 AromaticContact CE1-CZ 3.91Å; F91-F160 HydrophobicContact CE1-CZ 3.91Å; I156-F160 HydrophobicContact CG2-CE1 3.86Å; I156-F160 HydrophobicContact CG2-CE2 4.16Å; I156-F160 HydrophobicContact CG2-CZ 3.43Å; I156-F160 VanDerWaalsContact CG2-CZ 3.43Å; I156-F160 PolarHBondContact O-N 2.85Å; L157-F160 HydrophobicContact CD2-CD2 4.29Å; L157-F160 HydrophobicContact CD2-CE2 4.09Å; L157-F160 PolarHBondContact O-N 3.24Å; K158-F160 PolarHBondContact O-N 3.05Å; F160-W207 AromaticContact CE1-CD1 3.68Å; F160-W207 HydrophobicContact CE1-CG 4.07Å; F160-W207 AromaticContact CZ-CD1 3.54Å; F160-W207 HydrophobicContact CZ-CD2 4.22Å; F160-W207 AromaticContact CZ-CE2 3.82Å; F160-W207 HydrophobicContact CZ-CG 4.06Å; F160-W207 HydrophobicContact CZ-CZ2 4.49Å; F160-W207 AromaticContact CZ-NE1 3.39Å
161Q63.6Low66.7Low166 Ų16697.7 Ų97.778%0.77646%0.463SS*.THydrogen-bonded Turntrans-91.6-17.8176.8-58.9176.6-2.100111.8K158 S159K158-Q161 WeakPolarHBondContact O-CB 3.48Å; K158-Q161 PolarHBondContact O-N 2.97Å; S159-Q161 PolarHBondContact O-N 2.88Å
162D56.2Low65.2Low101 Ų10192.5 Ų92.554%0.5444%0.441SS..  trans-117.6110.5-176.7-96.2-37.4000111.6S159 R164S159-D162 CarbonylContact O-C 3.52Å; S159-D162 PolarHBondContact O-N 3.24Å; D162-R164 PolarHBondContact O-N 3.36Å
163T48.7Very low63.8Low140 Ų140100.1 Ų100.186%0.85947%0.474SS*.THydrogen-bonded Turntrans-68.2-0.3-177.252.20000115.4
164R44.4Very low62.9Low217 Ų21799.1 Ų99.182%0.81947%0.47SS*.THydrogen-bonded Turntrans-109.212.2-175.2-69.7-175.9-73.8-179.2-3.7114.2D162 S166D162-R164 PolarHBondContact O-N 3.36Å; R164-S166 PolarHBondContact O-N 2.79Å; R164-S166 VanDerWaalsContact O-N 3.17Å
165F43.1Very low62.4Low79 Ų7994 Ų9435%0.34646%0.46SS..  trans-75.7109.2-173.7-162.3-94.7000111.9R155 Q167R155-F165 HydrophobicContact CG-CE2 4.14Å; R155-F165 HydrophobicContact CG-CZ 3.88Å; F165-Q167 HydrophobicContact CD1-CG 4.17Å; F165-Q167 HydrophobicContact CE1-CG 4.39Å; F165-Q167 PolarHBondContact O-N 3.07Å
166S45.6Very low62Low83 Ų8392.7 Ų92.758%0.5847%0.466SS*.  trans-72.2116.5161.5-77.60000108.6R164 H168R164-S166 PolarHBondContact O-N 2.79Å; R164-S166 VanDerWaalsContact O-N 3.17Å; S166-H168 VanDerWaalsContact C-N 3.34Å; S166-H168 PolarHBondContact O-N 3.44Å
167Q51.4Low61.8Low58 Ų5898 Ų9827%0.27150%0.495SS..  trans-67.896.7171.2-69.3-172.912.700108.2F165 H169 W207F165-Q167 HydrophobicContact CD1-CG 4.17Å; F165-Q167 HydrophobicContact CE1-CG 4.39Å; F165-Q167 PolarHBondContact O-N 3.07Å; Q167-H169 PolarHBondContact O-N 3.28Å; Q167-W207 PolarHBondContact NE2-O 2.95Å
168H43.9Very low62Low132 Ų132100 Ų10061%0.61150%0.503SS*.  trans-71.1113.3163.1-71.2-70.9000107.5S166 T170S166-H168 VanDerWaalsContact C-N 3.34Å; S166-H168 PolarHBondContact O-N 3.44Å; H168-T170 PolarHBondContact O-N 2.95Å
169H50.9Low62.2Low72 Ų7294 Ų9433%0.33348%0.477SS..  trans-72106.4171.2-63.1-71.2000108.2Q167 E171Q167-H169 PolarHBondContact O-N 3.28Å; H169-E171 PolarHBondContact O-N 3.03Å
170T44.3Very low62.6Low69 Ų6995.9 Ų95.942%0.42349%0.491SS..  trans-74.3111165.4-44.50000106.8E152 H168 H172E152-T170 WeakPolarHBondContact OE1-CB 3.27Å; E152-T170 PolarHBondContact OE1-OG1 2.94Å; H168-T170 PolarHBondContact O-N 2.95Å; T170-H172 PolarHBondContact O-N 3.12Å
171E51.3Low63.4Low126 Ų12699.3 Ų99.359%0.58951%0.506SS*.  trans-54.6115.6169.6-80.7-172.7156.300108.8H169 K173H169-E171 PolarHBondContact O-N 3.03Å; E171-K173 PolarHBondContact O-N 3.01Å; E171-K173 VanDerWaalsContact O-N 3.08Å
172H57.8Low64.9Low74 Ų7492.1 Ų92.134%0.34347%0.471SS..  trans-70.6107.1167.1-165.6-60.6000107V147 T170 L174 V202V147-H172 HydrophobicContact CG2-CB 4.49Å; T170-H172 PolarHBondContact O-N 3.12Å; H172-L174 HydrophobicContact CB-CD1 4.32Å; H172-L174 WeakPolarHBondContact ND1-CD1 3.34Å; H172-L174 PolarHBondContact O-N 3.41Å; H172-V202 WeakPolarHBondContact CD2-CG1 3.18Å
173K60.3Low66.7Low194 Ų19487.9 Ų87.984%0.84345%0.448SS*.  trans-71.467.6176.6-69.7-175.2177.7-177.10110.8E171E171-K173 PolarHBondContact O-N 3.01Å; E171-K173 VanDerWaalsContact O-N 3.08Å
174L70.8Confident68.8Low19 Ų1984.1 Ų84.110%0.09943%0.431CS..  trans-75141.2158.7-86.3120.5000108.9L145 H172 E178 L179 L200L145-L174 HydrophobicContact CD2-CD1 4.22Å; H172-L174 HydrophobicContact CB-CD1 4.32Å; H172-L174 WeakPolarHBondContact ND1-CD1 3.34Å; H172-L174 PolarHBondContact O-N 3.41Å; L174-E178 HydrophobicContact CD2-CB 4.17Å; L174-E178 HydrophobicContact CD2-CG 3.7Å; L174-E178 WeakPolarHBondContact CD2-OE2 3.48Å; L174-L179 HydrophobicContact CB-CD1 4.07Å; L174-L179 HydrophobicContact CB-CD2 3.89Å; L174-L179 HydrophobicContact CB-CG 3.68Å; L174-L179 HydrophobicContact CD1-CD2 4.07Å; L174-L179 HydrophobicContact CD2-CD2 4.26Å; L174-L179 HydrophobicContact CG-CD2 4.3Å; L174-L200 HydrophobicContact CD1-CD1 3.83Å; L174-L200 HydrophobicContact CD2-CD1 3.56Å; L174-L200 HydrophobicContact CD2-CD2 3.85Å; L174-L200 HydrophobicContact CD2-CG 4.34Å; L174-L200 HydrophobicContact CG-CD1 4.32Å
175G76.3Confident71.3Confident44 Ų4477 Ų7745%0.45441%0.409SS..  trans-66.3146.1171.100000111.1D177 E178 L179G175-D177 PolarHBondContact O-N 3.26Å; G175-D177 VanDerWaalsContact O-N 3.16Å; G175-E178 PolarHBondContact O-N 3.3Å; G175-L179 PolarHBondContact O-N 3.14Å; G175-L179 VanDerWaalsContact O-N 3.14Å
176C78.9Confident73.9Confident78 Ų7873.2 Ų73.253%0.52739%0.392SS..Hα-helixtrans-54.6-35.3-179.9-61.80000113.1S180C176-S180 WeakPolarHBondContact O-CB 3.45Å; C176-S180 PolarHBondContact O-N 2.8Å; C176-S180 PolarHBondContact O-OG 3.19Å
177D83.5Confident76.2Confident128 Ų12872.5 Ų72.568%0.68438%0.382SS*.Hα-helixtrans-67.3-37.6179-67.2-15.4000112.7G175 K181G175-D177 PolarHBondContact O-N 3.26Å; G175-D177 VanDerWaalsContact O-N 3.16Å; D177-K181 VanDerWaalsContact O-CG 3.29Å; D177-K181 WeakPolarHBondContact O-CG 3.31Å; D177-K181 PolarHBondContact O-N 3.31Å; D177-K181 VanDerWaalsContact O-N 3.12Å
178E88.6Confident78.4Confident88 Ų8878.4 Ų78.441%0.41141%0.407SS..Hα-helixtrans-73-42.9179.3-172.5171.2-153.400111L174 G175 S180 K181 W182L174-E178 HydrophobicContact CD2-CB 4.17Å; L174-E178 HydrophobicContact CD2-CG 3.7Å; L174-E178 WeakPolarHBondContact CD2-OE2 3.48Å; G175-E178 PolarHBondContact O-N 3.3Å; E178-S180 VanDerWaalsContact C-N 3.29Å; E178-S180 PolarHBondContact O-N 3.07Å; E178-K181 PolarHBondContact O-N 2.84Å; E178-W182 PolarHBondContact O-N 3.03Å
179L88.7Confident80.9Confident17 Ų1775.5 Ų75.59%0.08940%0.395CS..Hα-helixtrans-58.7-42172.8-73.9173.5000111.8F139 L145 L174 G175 K181 W182 R183 L243F139-L179 HydrophobicContact CE2-CD2 4.22Å; L145-L179 HydrophobicContact CB-CD2 4.41Å; L145-L179 HydrophobicContact CD2-CD2 3.67Å; L174-L179 HydrophobicContact CB-CD1 4.07Å; L174-L179 HydrophobicContact CB-CD2 3.89Å; L174-L179 HydrophobicContact CB-CG 3.68Å; L174-L179 HydrophobicContact CD1-CD2 4.07Å; L174-L179 HydrophobicContact CD2-CD2 4.26Å; L174-L179 HydrophobicContact CG-CD2 4.3Å; G175-L179 PolarHBondContact O-N 3.14Å; G175-L179 VanDerWaalsContact O-N 3.14Å; L179-K181 PolarHBondContact O-N 2.89Å; L179-W182 PolarHBondContact O-N 3.32Å; L179-R183 VanDerWaalsContact O-CB 3.28Å; L179-R183 WeakPolarHBondContact O-CB 3.27Å; L179-R183 PolarHBondContact O-N 2.85Å; L179-L243 HydrophobicContact CB-CD1 4.28Å
180S89.7Confident83.1Confident56 Ų5673.6 Ų73.639%0.39239%0.389SS..Hα-helixtrans-64.2-40.1178.3-59.80000112.1C176 E178 A184C176-S180 WeakPolarHBondContact O-CB 3.45Å; C176-S180 PolarHBondContact O-N 2.8Å; C176-S180 PolarHBondContact O-OG 3.19Å; E178-S180 VanDerWaalsContact C-N 3.29Å; E178-S180 PolarHBondContact O-N 3.07Å; S180-A184 WeakPolarHBondContact O-CB 3.16Å; S180-A184 PolarHBondContact O-N 3.33Å
181K93.2Very high85.6Confident144 Ų14472.2 Ų72.263%0.62638%0.383SS*.Hα-helixtrans-63.1-48.4175-73.7167.9-173.41720111.6D177 E178 L179 A184 L185D177-K181 VanDerWaalsContact O-CG 3.29Å; D177-K181 WeakPolarHBondContact O-CG 3.31Å; D177-K181 PolarHBondContact O-N 3.31Å; D177-K181 VanDerWaalsContact O-N 3.12Å; E178-K181 PolarHBondContact O-N 2.84Å; L179-K181 PolarHBondContact O-N 2.89Å; K181-A184 PolarHBondContact O-N 3Å; K181-L185 WeakPolarHBondContact O-CG 3.26Å; K181-L185 PolarHBondContact O-N 3.31Å; K181-L185 VanDerWaalsContact O-N 3.1Å
182W95.4Very high87.9Confident15 Ų1567.4 Ų67.46%0.05736%0.361CS..Hα-helixtrans-62.2-46.4178-83.4118.6000111.8F139 E178 L179 A184 L185 V186 R195 M196 E199F139-W182 HydrophobicContact CE1-CB 4.46Å; F139-W182 HydrophobicContact CZ-CB 4.19Å; E178-W182 PolarHBondContact O-N 3.03Å; L179-W182 PolarHBondContact O-N 3.32Å; W182-A184 VanDerWaalsContact C-N 3.28Å; W182-A184 PolarHBondContact O-N 3.49Å; W182-L185 HydrophobicContact CE3-CB 4.48Å; W182-L185 HydrophobicContact CE3-CD1 3.81Å; W182-L185 HydrophobicContact CZ3-CD1 3.95Å; W182-L185 WeakPolarHBondContact O-CA 3.47Å; W182-L185 WeakPolarHBondContact O-CB 3.46Å; W182-L185 PolarHBondContact O-N 3.38Å; W182-V186 VanDerWaalsContact O-CG2 3.32Å; W182-V186 WeakPolarHBondContact O-CG2 3.33Å; W182-V186 PolarHBondContact O-N 3Å; W182-R195 HydrophobicContact CH2-CG 4.15Å; W182-R195 HydrophobicContact CZ3-CG 4.3Å; W182-M196 HydrophobicContact CB-CG 4.09Å; W182-M196 HydrophobicContact CB-SD 3.54Å; W182-M196 VanDerWaalsContact CB-SD 3.54Å; W182-M196 HydrophobicContact CD2-CB 3.7Å; W182-M196 HydrophobicContact CD2-CG 3.54Å; W182-M196 HydrophobicContact CD2-SD 4.22Å; W182-M196 HydrophobicContact CE3-CB 3.49Å; W182-M196 VanDerWaalsContact CE3-CB 3.49Å; W182-M196 HydrophobicContact CE3-CG 3.9Å; W182-M196 HydrophobicContact CG-CB 4.27Å; W182-M196 HydrophobicContact CG-CG 3.63Å; W182-M196 HydrophobicContact CG-SD 3.76Å; W182-M196 HydrophobicContact CH2-CB 4.27Å; W182-M196 HydrophobicContact CZ2-CB 4.45Å; W182-M196 HydrophobicContact CZ3-CB 3.8Å; W182-E199 HydrophobicContact CH2-CB 4.3Å; W182-E199 HydrophobicContact CH2-CG 4.32Å; W182-E199 WeakPolarHBondContact CH2-OE2 3.43Å; W182-E199 HydrophobicContact CZ2-CB 3.99Å; W182-E199 HydrophobicContact CZ2-CG 4.43Å; W182-E199 VanDerWaalsContact CZ2-OE2 3.27Å; W182-E199 WeakPolarHBondContact CZ2-OE2 3.46Å
183R93.4Very high89.8Confident12 Ų1263.9 Ų63.95%0.04535%0.345CS..Hα-helixtrans-55.9-43.9176.5-171.1179.7175.3-170.20.6112F139 E140 E141 L179 L185 V186 N187 L243F139-R183 HydrophobicContact CE1-CB 3.89Å; F139-R183 HydrophobicContact CE1-CG 4.35Å; F139-R183 HydrophobicContact CE2-CB 4.21Å; F139-R183 HydrophobicContact CZ-CB 3.63Å; F139-R183 HydrophobicContact CZ-CG 4.34Å; F139-R183 WeakPolarHBondContact O-CD 3.35Å; F139-R183 PolarHBondContact O-NE 2.98Å; E140-R183 PolarHBondContact O-NE 3.44Å; E140-R183 PolarHBondContact O-NH2 3.29Å; E141-R183 PolarHBondContact O-NH2 3.13Å; L179-R183 VanDerWaalsContact O-CB 3.28Å; L179-R183 WeakPolarHBondContact O-CB 3.27Å; L179-R183 PolarHBondContact O-N 2.85Å; R183-L185 VanDerWaalsContact C-N 3.32Å; R183-L185 PolarHBondContact O-N 3.08Å; R183-V186 PolarHBondContact O-N 2.99Å; R183-N187 WeakPolarHBondContact O-CB 3.37Å; R183-N187 PolarHBondContact O-N 2.96Å; R183-L243 PolarHBondContact NH1-O 3.1Å
184A93.9Very high91.6Very high61 Ų6155.4 Ų55.450%0.50431%0.308SS..Hα-helixtrans-62.6-36.1175.900000113.2S180 K181 W182 K188S180-A184 WeakPolarHBondContact O-CB 3.16Å; S180-A184 PolarHBondContact O-N 3.33Å; K181-A184 PolarHBondContact O-N 3Å; W182-A184 VanDerWaalsContact C-N 3.28Å; W182-A184 PolarHBondContact O-N 3.49Å; A184-K188 PolarHBondContact O-N 3Å
185L96.9Very high92.9Very high68 Ų6859.8 Ų59.836%0.35632%0.324SS..Hα-helixtrans-68.6-42.1174.5-69.1172000111.8K181 W182 R183 K188 N189 N192K181-L185 WeakPolarHBondContact O-CG 3.26Å; K181-L185 PolarHBondContact O-N 3.31Å; K181-L185 VanDerWaalsContact O-N 3.1Å; W182-L185 HydrophobicContact CE3-CB 4.48Å; W182-L185 HydrophobicContact CE3-CD1 3.81Å; W182-L185 HydrophobicContact CZ3-CD1 3.95Å; W182-L185 WeakPolarHBondContact O-CA 3.47Å; W182-L185 WeakPolarHBondContact O-CB 3.46Å; W182-L185 PolarHBondContact O-N 3.38Å; R183-L185 VanDerWaalsContact C-N 3.32Å; R183-L185 PolarHBondContact O-N 3.08Å; L185-K188 PolarHBondContact O-N 3.24Å; L185-N189 PolarHBondContact O-N 3.14Å; L185-N192 HydrophobicContact CB-CB 4.07Å; L185-N192 PolarHBondContact O-ND2 3.43Å
186V96.9Very high93.9Very high0 Ų057.7 Ų57.70%030%0.302CS..Hα-helixtrans-66-47.8178.6-178.60000110.8R136 F139 E140 W182 R183 K188 N189 N192 F193R136-V186 HydrophobicContact CG-CG1 4.09Å; F139-V186 HydrophobicContact CD1-CG2 4.34Å; F139-V186 HydrophobicContact CE1-CB 4.39Å; F139-V186 HydrophobicContact CE1-CG2 3.99Å; E140-V186 HydrophobicContact CG-CB 4.39Å; E140-V186 HydrophobicContact CG-CG1 3.52Å; E140-V186 WeakPolarHBondContact OE1-CG1 3.25Å; W182-V186 VanDerWaalsContact O-CG2 3.32Å; W182-V186 WeakPolarHBondContact O-CG2 3.33Å; W182-V186 PolarHBondContact O-N 3Å; R183-V186 PolarHBondContact O-N 2.99Å; V186-K188 PolarHBondContact O-N 3.44Å; V186-N189 CarbonylContact O-C 3.57Å; V186-N189 PolarHBondContact O-N 3.23Å; V186-N192 HydrophobicContact CG2-CB 4.14Å; V186-F193 HydrophobicContact CG1-CB 3.91Å; V186-F193 HydrophobicContact CG2-CB 4.06Å; V186-F193 HydrophobicContact CG2-CD2 4.46Å
187N94.7Very high94.8Very high67 Ų6754 Ų5436%0.35828%0.277SS..Hα-helixtrans-57.1-27.9175.1-74.7-4.6000112.9E140 R183 D245E140-N187 VanDerWaalsContact CA-OD1 3.26Å; E140-N187 WeakPolarHBondContact CA-OD1 3.34Å; E140-N187 WeakPolarHBondContact CB-OD1 3.27Å; E140-N187 VanDerWaalsContact CG-OD1 3.27Å; E140-N187 WeakPolarHBondContact CG-OD1 3.4Å; E140-N187 PolarHBondContact O-OD1 3.16Å; R183-N187 WeakPolarHBondContact O-CB 3.37Å; R183-N187 PolarHBondContact O-N 2.96Å; N187-D245 PolarHBondContact ND2-OD2 2.98Å
188K96Very high95.4Very high183 Ų18352.4 Ų52.480%0.79627%0.265SS*.Hα-helixtrans-81.4-34.6175.6-173.9177.3178.7-177.90112.6A184 L185 V186A184-K188 PolarHBondContact O-N 3Å; L185-K188 PolarHBondContact O-N 3.24Å; V186-K188 PolarHBondContact O-N 3.44Å
189N97.3Very high95.8Very high70 Ų7053.2 Ų53.237%0.37427%0.269SS..  trans-155.2112.4178.5177.40.9000109.7L185 V186 S191 N192L185-N189 PolarHBondContact O-N 3.14Å; V186-N189 CarbonylContact O-C 3.57Å; V186-N189 PolarHBondContact O-N 3.23Å; N189-S191 VanDerWaalsContact CG-OG 3.3Å; N189-S191 PolarHBondContact ND2-OG 3.19Å; N189-S191 PolarHBondContact O-N 3.36Å; N189-S191 WeakPolarHBondContact OD1-CB 3.21Å; N189-S191 PolarHBondContact OD1-N 2.86Å; N189-S191 PolarHBondContact OD1-OG 2.99Å; N189-S191 VanDerWaalsContact OD1-OG 3.14Å; N189-N192 WeakPolarHBondContact O-CB 3.27Å; N189-N192 PolarHBondContact O-N 3.02Å; N189-N192 PolarHBondContact O-ND2 3.25Å
190P97.3Very high96.1Very high32 Ų3253.7 Ų53.721%0.20827%0.272CS..THydrogen-bonded Turntrans-50.6-30179.2-33.739.3000114.9D76 N192 F193D76-P190 HydrophobicContact CB-CB 3.85Å; D76-P190 HydrophobicContact CB-CG 4.08Å; P190-N192 PolarHBondContact O-N 3.16Å; P190-N192 VanDerWaalsContact O-N 3.12Å; P190-F193 VanDerWaalsContact O-CB 3.26Å; P190-F193 WeakPolarHBondContact O-CB 3.38Å; P190-F193 PolarHBondContact O-N 3.05Å
191S97.7Very high96.3Very high41 Ų4157.1 Ų57.129%0.28728%0.282SS..Hα-helixtrans-63-21.3178.480.60000113.4N189 F193 M194 R195N189-S191 VanDerWaalsContact CG-OG 3.3Å; N189-S191 PolarHBondContact ND2-OG 3.19Å; N189-S191 PolarHBondContact O-N 3.36Å; N189-S191 WeakPolarHBondContact OD1-CB 3.21Å; N189-S191 PolarHBondContact OD1-N 2.86Å; N189-S191 PolarHBondContact OD1-OG 2.99Å; N189-S191 VanDerWaalsContact OD1-OG 3.14Å; S191-F193 PolarHBondContact O-N 2.86Å; S191-M194 PolarHBondContact O-N 2.78Å; S191-R195 PolarHBondContact O-N 2.86Å
192N98.4Very high96.4Very high24 Ų2450.3 Ų50.313%0.12825%0.252CS..Hα-helixtrans-66.9-17.1174.4-73.1-47.7000112.5L185 V186 N189 P190 R195 M196L185-N192 HydrophobicContact CB-CB 4.07Å; L185-N192 PolarHBondContact O-ND2 3.43Å; V186-N192 HydrophobicContact CG2-CB 4.14Å; N189-N192 WeakPolarHBondContact O-CB 3.27Å; N189-N192 PolarHBondContact O-N 3.02Å; N189-N192 PolarHBondContact O-ND2 3.25Å; P190-N192 PolarHBondContact O-N 3.16Å; P190-N192 VanDerWaalsContact O-N 3.12Å; N192-R195 PolarHBondContact O-N 3.43Å; N192-M196 VanDerWaalsContact O-CB 3.31Å; N192-M196 WeakPolarHBondContact O-CB 3.4Å; N192-M196 PolarHBondContact O-N 3.12Å
193F98.4Very high96.4Very high1 Ų149.7 Ų49.70%0.00425%0.25CC..Hα-helixtrans-66.4-42.7176-176.9-108.6000111.2W84 I132 V135 R136 F139 L145 V186 P190 S191 M196 C197 P204W84-F193 AromaticContact CH2-CD1 3.78Å; W84-F193 HydrophobicContact CH2-CD1 3.78Å; W84-F193 AromaticContact CH2-CE1 3.98Å; W84-F193 HydrophobicContact CH2-CE1 3.98Å; W84-F193 HydrophobicContact CZ2-CD1 4.04Å; I132-F193 HydrophobicContact CG2-CD1 4.45Å; I132-F193 HydrophobicContact CG2-CE1 4.43Å; V135-F193 HydrophobicContact CG1-CE1 4.38Å; V135-F193 HydrophobicContact CG1-CE2 4.49Å; V135-F193 HydrophobicContact CG1-CZ 3.68Å; R136-F193 HydrophobicContact CB-CD1 3.82Å; R136-F193 HydrophobicContact CB-CD2 4.3Å; R136-F193 HydrophobicContact CB-CE1 4.12Å; R136-F193 HydrophobicContact CB-CG 3.95Å; R136-F193 HydrophobicContact CG-CB 3.92Å; R136-F193 HydrophobicContact CG-CD1 4.15Å; R136-F193 HydrophobicContact CG-CD2 4.25Å; R136-F193 HydrophobicContact CG-CG 3.84Å; F139-F193 HydrophobicContact CB-CE2 4.45Å; F139-F193 HydrophobicContact CD1-CD2 4.15Å; F139-F193 HydrophobicContact CD1-CE2 4.31Å; L145-F193 HydrophobicContact CD1-CE2 3.97Å; V186-F193 HydrophobicContact CG1-CB 3.91Å; V186-F193 HydrophobicContact CG2-CB 4.06Å; V186-F193 HydrophobicContact CG2-CD2 4.46Å; P190-F193 VanDerWaalsContact O-CB 3.26Å; P190-F193 WeakPolarHBondContact O-CB 3.38Å; P190-F193 PolarHBondContact O-N 3.05Å; S191-F193 PolarHBondContact O-N 2.86Å; F193-M196 HydrophobicContact CD2-CE 3.49Å; F193-M196 VanDerWaalsContact CD2-CE 3.49Å; F193-M196 HydrophobicContact CE2-CE 3.4Å; F193-M196 HydrophobicContact CZ-CE 4.37Å; F193-M196 WeakPolarHBondContact O-CB 3.13Å; F193-M196 PolarHBondContact O-N 3.3Å; F193-C197 PolarHBondContact O-N 3.06Å; F193-C197 PolarHBondContact O-SG 2.88Å; F193-P204 HydrophobicContact CE1-CB 4Å; F193-P204 HydrophobicContact CE1-CG 4.32Å; F193-P204 HydrophobicContact CZ-CB 4.16Å
194M98.1Very high96.6Very high15 Ų1549.1 Ų49.17%0.07425%0.248CC..Hα-helixtrans-65.2-44.2173.7-174.7173.658.200111.6D83 W84 V87 S191 M196 C197 Q198D83-M194 HydrophobicContact CB-CE 3.55Å; D83-M194 HydrophobicContact CB-SD 3.48Å; D83-M194 WeakPolarHBondContact CB-SD 3.34Å; W84-M194 HydrophobicContact CD2-CG 4.05Å; W84-M194 HydrophobicContact CD2-SD 3.92Å; W84-M194 HydrophobicContact CE3-CG 4.12Å; W84-M194 HydrophobicContact CE3-SD 4.49Å; W84-M194 HydrophobicContact CG-SD 4.04Å; W84-M194 HydrophobicContact CH2-CB 3.77Å; W84-M194 HydrophobicContact CH2-CG 4.02Å; W84-M194 HydrophobicContact CZ2-CB 3.57Å; W84-M194 HydrophobicContact CZ2-CG 3.95Å; W84-M194 HydrophobicContact CZ2-SD 4.44Å; W84-M194 HydrophobicContact CZ3-CB 4.35Å; W84-M194 HydrophobicContact CZ3-CG 4.1Å; V87-M194 HydrophobicContact CG2-CG 4.01Å; S191-M194 PolarHBondContact O-N 2.78Å; M194-M196 VanDerWaalsContact C-N 3.31Å; M194-M196 PolarHBondContact O-N 3.09Å; M194-C197 WeakPolarHBondContact O-CB 3.2Å; M194-C197 PolarHBondContact O-N 3.49Å; M194-C197 VanDerWaalsContact O-N 3.12Å; M194-Q198 WeakPolarHBondContact O-CG 3.24Å; M194-Q198 PolarHBondContact O-N 3.21Å
195R98.1Very high96.7Very high112 Ų11246.4 Ų46.442%0.42323%0.225SC..Hα-helixtrans-57.4-45174.9-177.8-176.4170.4-160.8-10.3111.5W182 S191 N192 C197 Q198 E199W182-R195 HydrophobicContact CH2-CG 4.15Å; W182-R195 HydrophobicContact CZ3-CG 4.3Å; S191-R195 PolarHBondContact O-N 2.86Å; N192-R195 PolarHBondContact O-N 3.43Å; R195-C197 VanDerWaalsContact C-N 3.34Å; R195-C197 PolarHBondContact O-N 3.38Å; R195-Q198 PolarHBondContact O-N 3.34Å; R195-E199 HydrophobicContact CG-CG 4.45Å; R195-E199 IonicContact CZ-OE1 2.94Å; R195-E199 IonicContact NE-OE1 3.44Å; R195-E199 PolarHBondContact NE-OE1 3.46Å; R195-E199 IonicContact NH2-OE1 3.64Å; R195-E199 PolarHBondContact NH2-OE1 3.02Å; R195-E199 IonicContact NH2-OE2 3.56Å; R195-E199 PolarHBondContact O-N 2.85Å
196M97.6Very high96.7Very high0 Ų043.2 Ų43.20%021%0.208CC..Hα-helixtrans-57.6-47.2174.6179.1-172.571.900110.9F139 L145 W182 N192 F193 M194 Q198 E199 L200F139-M196 HydrophobicContact CD1-CE 4.37Å; F139-M196 HydrophobicContact CE1-CE 4.13Å; F139-M196 HydrophobicContact CE1-SD 3.79Å; F139-M196 HydrophobicContact CZ-SD 3.92Å; L145-M196 HydrophobicContact CD1-CE 3.47Å; L145-M196 VanDerWaalsContact CD1-CE 3.47Å; L145-M196 HydrophobicContact CD2-CE 4.25Å; W182-M196 HydrophobicContact CB-CG 4.09Å; W182-M196 HydrophobicContact CB-SD 3.54Å; W182-M196 VanDerWaalsContact CB-SD 3.54Å; W182-M196 HydrophobicContact CD2-CB 3.7Å; W182-M196 HydrophobicContact CD2-CG 3.54Å; W182-M196 HydrophobicContact CD2-SD 4.22Å; W182-M196 HydrophobicContact CE3-CB 3.49Å; W182-M196 VanDerWaalsContact CE3-CB 3.49Å; W182-M196 HydrophobicContact CE3-CG 3.9Å; W182-M196 HydrophobicContact CG-CB 4.27Å; W182-M196 HydrophobicContact CG-CG 3.63Å; W182-M196 HydrophobicContact CG-SD 3.76Å; W182-M196 HydrophobicContact CH2-CB 4.27Å; W182-M196 HydrophobicContact CZ2-CB 4.45Å; W182-M196 HydrophobicContact CZ3-CB 3.8Å; N192-M196 VanDerWaalsContact O-CB 3.31Å; N192-M196 WeakPolarHBondContact O-CB 3.4Å; N192-M196 PolarHBondContact O-N 3.12Å; F193-M196 HydrophobicContact CD2-CE 3.49Å; F193-M196 VanDerWaalsContact CD2-CE 3.49Å; F193-M196 HydrophobicContact CE2-CE 3.4Å; F193-M196 HydrophobicContact CZ-CE 4.37Å; F193-M196 WeakPolarHBondContact O-CB 3.13Å; F193-M196 PolarHBondContact O-N 3.3Å; M194-M196 VanDerWaalsContact C-N 3.31Å; M194-M196 PolarHBondContact O-N 3.09Å; M196-Q198 VanDerWaalsContact C-N 3.27Å; M196-Q198 PolarHBondContact O-N 3.37Å; M196-E199 PolarHBondContact O-N 2.95Å; M196-L200 HydrophobicContact CG-CD1 3.45Å; M196-L200 VanDerWaalsContact CG-CD1 3.45Å; M196-L200 HydrophobicContact CG-CG 4.08Å; M196-L200 VanDerWaalsContact O-CB 3.28Å; M196-L200 WeakPolarHBondContact O-CB 3.43Å; M196-L200 VanDerWaalsContact O-CG 3.32Å; M196-L200 WeakPolarHBondContact O-CG 3.49Å; M196-L200 PolarHBondContact O-N 3.2Å; M196-L200 HydrophobicContact SD-CD1 4.2Å
197C97.3Very high96.7Very high1 Ų143.9 Ų43.91%0.00721%0.211CC..Hα-helixtrans-58.5-40.5177.8-66.90000112.1W84 V87 F193 M194 R195 E201 V202W84-C197 HydrophobicContact CZ3-CB 4.44Å; V87-C197 HydrophobicContact CG1-CB 4.43Å; F193-C197 PolarHBondContact O-N 3.06Å; F193-C197 PolarHBondContact O-SG 2.88Å; M194-C197 WeakPolarHBondContact O-CB 3.2Å; M194-C197 PolarHBondContact O-N 3.49Å; M194-C197 VanDerWaalsContact O-N 3.12Å; R195-C197 VanDerWaalsContact C-N 3.34Å; R195-C197 PolarHBondContact O-N 3.38Å; C197-E201 PolarHBondContact O-N 2.87Å; C197-V202 CarbonylContact C-O 3.54Å; C197-V202 HydrophobicContact CB-CG2 4.37Å; C197-V202 WeakPolarHBondContact CB-O 3.47Å; C197-V202 PolarHBondContact O-N 3.46Å
198Q96.5Very high96.7Very high93 Ų9341 Ų4144%0.43520%0.196SC..Hα-helixtrans-67.2-49.8177.1-68.4169.5-25.700112.4V87 M194 R195 M196 E201V87-Q198 HydrophobicContact CG2-CG 3.73Å; M194-Q198 WeakPolarHBondContact O-CG 3.24Å; M194-Q198 PolarHBondContact O-N 3.21Å; R195-Q198 PolarHBondContact O-N 3.34Å; M196-Q198 VanDerWaalsContact C-N 3.27Å; M196-Q198 PolarHBondContact O-N 3.37Å; Q198-E201 PolarHBondContact O-N 2.85Å
199E96.1Very high96.8Very high106 Ų10632.4 Ų32.450%0.49516%0.159SC..Hα-helixtrans-69.6-36.3-176.4-72.2-170.9-157.200112.8W182 R195 M196 E201W182-E199 HydrophobicContact CH2-CB 4.3Å; W182-E199 HydrophobicContact CH2-CG 4.32Å; W182-E199 WeakPolarHBondContact CH2-OE2 3.43Å; W182-E199 HydrophobicContact CZ2-CB 3.99Å; W182-E199 HydrophobicContact CZ2-CG 4.43Å; W182-E199 VanDerWaalsContact CZ2-OE2 3.27Å; W182-E199 WeakPolarHBondContact CZ2-OE2 3.46Å; R195-E199 HydrophobicContact CG-CG 4.45Å; R195-E199 IonicContact CZ-OE1 2.94Å; R195-E199 IonicContact NE-OE1 3.44Å; R195-E199 PolarHBondContact NE-OE1 3.46Å; R195-E199 IonicContact NH2-OE1 3.64Å; R195-E199 PolarHBondContact NH2-OE1 3.02Å; R195-E199 IonicContact NH2-OE2 3.56Å; R195-E199 PolarHBondContact O-N 2.85Å; M196-E199 PolarHBondContact O-N 2.95Å; E199-E201 VanDerWaalsContact C-N 3.27Å; E199-E201 PolarHBondContact O-N 3.02Å
200L94.4Very high96.8Very high26 Ų2629.7 Ų29.714%0.13614%0.144CC..THydrogen-bonded Turntrans-85-0.9178.1-59.7-177.6000113.1L174 M196 V202L174-L200 HydrophobicContact CD1-CD1 3.83Å; L174-L200 HydrophobicContact CD2-CD1 3.56Å; L174-L200 HydrophobicContact CD2-CD2 3.85Å; L174-L200 HydrophobicContact CD2-CG 4.34Å; L174-L200 HydrophobicContact CG-CD1 4.32Å; M196-L200 HydrophobicContact CG-CD1 3.45Å; M196-L200 VanDerWaalsContact CG-CD1 3.45Å; M196-L200 HydrophobicContact CG-CG 4.08Å; M196-L200 VanDerWaalsContact O-CB 3.28Å; M196-L200 WeakPolarHBondContact O-CB 3.43Å; M196-L200 VanDerWaalsContact O-CG 3.32Å; M196-L200 WeakPolarHBondContact O-CG 3.49Å; M196-L200 PolarHBondContact O-N 3.2Å; M196-L200 HydrophobicContact SD-CD1 4.2Å; L200-V202 VanDerWaalsContact C-N 3.29Å; L200-V202 HydrophobicContact CB-CG1 4.29Å; L200-V202 HydrophobicContact CB-CG2 4.09Å; L200-V202 WeakPolarHBondContact O-CG1 3.15Å; L200-V202 PolarHBondContact O-N 3.35Å
201E94.8Very high96.9Very high129 Ų12928.2 Ų28.260%0.60313%0.134SC*.THydrogen-bonded Turntrans49.949.9-174.4-57.9-163103.500112.7K150 C197 Q198 E199K150-E201 HydrophobicContact CB-CB 4.28Å; K150-E201 WeakPolarHBondContact CB-O 3.4Å; K150-E201 PolarHBondContact N-O 3.26Å; C197-E201 PolarHBondContact O-N 2.87Å; Q198-E201 PolarHBondContact O-N 2.85Å; E199-E201 VanDerWaalsContact C-N 3.27Å; E199-E201 PolarHBondContact O-N 3.02Å
202V95.1Very high96.9Very high1 Ų126.3 Ų26.31%0.00612%0.12CC..EExtended strand (participates in β ladder)trans-124.2158.4176.4-600000111V147 V148 H172 C197 L200V147-V202 HydrophobicContact CB-CB 3.92Å; V147-V202 HydrophobicContact CB-CG2 3.98Å; V147-V202 HydrophobicContact CG1-CB 4.4Å; V147-V202 HydrophobicContact CG1-CG2 3.93Å; V147-V202 HydrophobicContact CG2-CB 4Å; V147-V202 HydrophobicContact CG2-CG1 4.1Å; V147-V202 HydrophobicContact CG2-CG2 4.12Å; V148-V202 CarbonylContact O-C 3.49Å; V148-V202 VanDerWaalsContact O-CA 3.31Å; V148-V202 WeakPolarHBondContact O-CA 3.29Å; H172-V202 WeakPolarHBondContact CD2-CG1 3.18Å; C197-V202 CarbonylContact C-O 3.54Å; C197-V202 HydrophobicContact CB-CG2 4.37Å; C197-V202 WeakPolarHBondContact CB-O 3.47Å; C197-V202 PolarHBondContact O-N 3.46Å; L200-V202 VanDerWaalsContact C-N 3.29Å; L200-V202 HydrophobicContact CB-CG1 4.29Å; L200-V202 HydrophobicContact CB-CG2 4.09Å; L200-V202 WeakPolarHBondContact O-CG1 3.15Å; L200-V202 PolarHBondContact O-N 3.35Å
203L96.2Very high96.9Very high1 Ų125.4 Ų25.41%0.00512%0.116CC..EExtended strand (participates in β ladder)trans-115.2138.6174.3-49172.2000108.4V87 F88 F91 V147 V148 N205 W207V87-L203 HydrophobicContact CG1-CD2 3.6Å; V87-L203 WeakPolarHBondContact O-CD2 3.34Å; F88-L203 HydrophobicContact CE1-CB 4.33Å; F91-L203 HydrophobicContact CE2-CD1 3.62Å; F91-L203 HydrophobicContact CZ-CD1 4.28Å; V147-L203 CarbonylContact C-O 3.47Å; V147-L203 WeakPolarHBondContact CA-O 3.48Å; V147-L203 WeakPolarHBondContact CB-O 3.4Å; V148-L203 HydrophobicContact CG2-CB 3.74Å; V148-L203 HydrophobicContact CG2-CD1 4.28Å; V148-L203 HydrophobicContact CG2-CG 4.34Å; V148-L203 PolarHBondContact N-O 2.84Å; V148-L203 PolarHBondContact O-N 2.76Å; L203-N205 PolarHBondContact O-N 2.82Å; L203-W207 HydrophobicContact CB-CH2 4.45Å; L203-W207 HydrophobicContact CB-CZ3 4.46Å; L203-W207 HydrophobicContact CD1-CH2 4.03Å; L203-W207 HydrophobicContact CD1-CZ3 4.5Å
204P97.2Very high96.9Very high0 Ų025.4 Ų25.40%012%0.116CC..EExtended strand (participates in β ladder)trans-62130.9170.421-22.4000109W84 F88 I132 V135 F193 I206W84-P204 HydrophobicContact CE3-CG 4.46Å; W84-P204 HydrophobicContact CH2-CG 3.98Å; W84-P204 HydrophobicContact CZ3-CG 3.63Å; F88-P204 HydrophobicContact CE2-CG 4.12Å; F88-P204 HydrophobicContact CZ-CG 3.71Å; I132-P204 HydrophobicContact CG1-CG 4.37Å; V135-P204 HydrophobicContact CG1-CB 4.13Å; F193-P204 HydrophobicContact CE1-CB 4Å; F193-P204 HydrophobicContact CE1-CG 4.32Å; F193-P204 HydrophobicContact CZ-CB 4.16Å; P204-I206 PolarHBondContact O-N 2.94Å
205N96.4Very high96.8Very high5 Ų525 Ų253%0.02711%0.114CC..  trans-79.766-172.7-168.70.9000111.7L146 V148 L203 W207 A208L146-N205 PolarHBondContact O-N 2.85Å; V148-N205 HydrophobicContact CG1-CB 3.99Å; L203-N205 PolarHBondContact O-N 2.82Å; N205-W207 PolarHBondContact O-N 2.99Å; N205-W207 VanDerWaalsContact O-N 3.16Å; N205-A208 HydrophobicContact CB-CB 4.5Å; N205-A208 PolarHBondContact O-N 3.23Å; N205-A208 PolarHBondContact OD1-N 3.29Å
206I97.3Very high96.7Very high0 Ų020 Ų200%010%0.096CC..G310 helixtrans-61.1-23.8179.565173000112.2F88 F97 L99 V128 R131 I132 P204 A208 L209F88-I206 HydrophobicContact CE1-CD1 4.06Å; F88-I206 HydrophobicContact CE1-CG1 4.35Å; F88-I206 HydrophobicContact CZ-CD1 3.99Å; F88-I206 HydrophobicContact CZ-CG1 4.35Å; F88-I206 HydrophobicContact CZ-CG2 4.19Å; F97-I206 HydrophobicContact CB-CD1 4.44Å; L99-I206 HydrophobicContact CD1-CD1 4.43Å; L99-I206 HydrophobicContact CD2-CD1 4.48Å; L99-I206 HydrophobicContact CD2-CG1 4.36Å; L99-I206 HydrophobicContact CG-CD1 4.4Å; V128-I206 HydrophobicContact CG1-CD1 4.08Å; V128-I206 HydrophobicContact CG2-CD1 4.49Å; R131-I206 HydrophobicContact CB-CB 3.89Å; R131-I206 HydrophobicContact CB-CG2 3.81Å; R131-I206 WeakPolarHBondContact CD-O 3.29Å; I132-I206 HydrophobicContact CG1-CG2 4.04Å; P204-I206 PolarHBondContact O-N 2.94Å; I206-A208 VanDerWaalsContact C-N 3.32Å; I206-A208 PolarHBondContact O-N 3.47Å; I206-L209 PolarHBondContact O-N 3.09Å
207W95.8Very high96.4Very high15 Ų1520.8 Ų20.86%0.05710%0.101CC..G310 helixtrans-77-17.8-177.4-49.5-75.9000113.6F88 F91 F97 V148 I156 F160 Q167 L203 N205 L209F88-W207 HydrophobicContact CD1-CH2 4.06Å; F88-W207 HydrophobicContact CD1-CZ2 4.11Å; F88-W207 AromaticContact CE1-CH2 3.7Å; F88-W207 HydrophobicContact CE1-CH2 3.7Å; F88-W207 AromaticContact CE1-CZ2 3.91Å; F88-W207 HydrophobicContact CE1-CZ2 3.91Å; F88-W207 HydrophobicContact CE1-CZ3 4.5Å; F91-W207 HydrophobicContact CD1-CH2 4.36Å; F91-W207 AromaticContact CD1-CZ2 3.6Å; F91-W207 HydrophobicContact CD1-CZ2 3.6Å; F91-W207 HydrophobicContact CD2-CH2 4.23Å; F91-W207 HydrophobicContact CD2-CZ2 4.06Å; F91-W207 AromaticContact CE1-CH2 3.86Å; F91-W207 HydrophobicContact CE1-CH2 3.86Å; F91-W207 AromaticContact CE1-CZ2 3.42Å; F91-W207 HydrophobicContact CE1-CZ2 3.42Å; F91-W207 VanDerWaalsContact CE1-CZ2 3.42Å; F91-W207 AromaticContact CE2-CH2 3.73Å; F91-W207 HydrophobicContact CE2-CH2 3.73Å; F91-W207 AromaticContact CE2-CZ2 3.92Å; F91-W207 HydrophobicContact CE2-CZ2 3.92Å; F91-W207 AromaticContact CG-CZ2 3.92Å; F91-W207 HydrophobicContact CG-CZ2 3.92Å; F91-W207 AromaticContact CZ-CH2 3.51Å; F91-W207 HydrophobicContact CZ-CH2 3.51Å; F91-W207 AromaticContact CZ-CZ2 3.59Å; F91-W207 HydrophobicContact CZ-CZ2 3.59Å; F91-W207 HydrophobicContact CZ-CZ3 4.48Å; F97-W207 PolarHBondContact O-NE1 2.85Å; V148-W207 HydrophobicContact CG2-CZ3 3.78Å; I156-W207 HydrophobicContact CD1-CE3 4.36Å; I156-W207 HydrophobicContact CD1-CZ3 3.98Å; I156-W207 HydrophobicContact CG2-CD2 4.07Å; I156-W207 HydrophobicContact CG2-CE3 4.04Å; I156-W207 HydrophobicContact CG2-CH2 4.44Å; I156-W207 HydrophobicContact CG2-CZ2 4.47Å; I156-W207 HydrophobicContact CG2-CZ3 4.25Å; F160-W207 AromaticContact CE1-CD1 3.68Å; F160-W207 HydrophobicContact CE1-CG 4.07Å; F160-W207 AromaticContact CZ-CD1 3.54Å; F160-W207 HydrophobicContact CZ-CD2 4.22Å; F160-W207 AromaticContact CZ-CE2 3.82Å; F160-W207 HydrophobicContact CZ-CG 4.06Å; F160-W207 HydrophobicContact CZ-CZ2 4.49Å; F160-W207 AromaticContact CZ-NE1 3.39Å; Q167-W207 PolarHBondContact NE2-O 2.95Å; L203-W207 HydrophobicContact CB-CH2 4.45Å; L203-W207 HydrophobicContact CB-CZ3 4.46Å; L203-W207 HydrophobicContact CD1-CH2 4.03Å; L203-W207 HydrophobicContact CD1-CZ3 4.5Å; N205-W207 PolarHBondContact O-N 2.99Å; N205-W207 VanDerWaalsContact O-N 3.16Å; W207-L209 VanDerWaalsContact C-N 3.27Å
208A95.3Very high96Very high6 Ų621.2 Ų21.25%0.0510%0.103CC..G310 helixtrans-79.2-10.5172.500000113N205 I206N205-A208 HydrophobicContact CB-CB 4.5Å; N205-A208 PolarHBondContact O-N 3.23Å; N205-A208 PolarHBondContact OD1-N 3.29Å; I206-A208 VanDerWaalsContact C-N 3.32Å; I206-A208 PolarHBondContact O-N 3.47Å
209L97.9Very high95.3Very high3 Ų319.3 Ų19.32%0.01610%0.098CC..  trans-96113.9-175.3-87.264.8000111.5L14 R131 A134 V135 L146 I206 W207 F232 C234L14-L209 HydrophobicContact CD1-CD1 4.16Å; L14-L209 HydrophobicContact CD1-CD2 3.92Å; L14-L209 HydrophobicContact CD1-CG 3.66Å; R131-L209 HydrophobicContact CB-CD2 4.07Å; R131-L209 HydrophobicContact CG-CB 3.97Å; R131-L209 HydrophobicContact CG-CD2 4.03Å; R131-L209 PolarHBondContact NE-O 3.22Å; R131-L209 PolarHBondContact NH2-O 3.14Å; A134-L209 HydrophobicContact CB-CD2 3.73Å; V135-L209 HydrophobicContact CG2-CD1 4.11Å; V135-L209 HydrophobicContact CG2-CD2 4.05Å; L146-L209 HydrophobicContact CD1-CD1 4.48Å; I206-L209 PolarHBondContact O-N 3.09Å; W207-L209 VanDerWaalsContact C-N 3.27Å; L209-F232 HydrophobicContact CB-CB 4.04Å; L209-F232 HydrophobicContact CB-CD1 4.44Å; L209-F232 HydrophobicContact CB-CG 4.27Å; L209-F232 HydrophobicContact CD2-CB 4.01Å; L209-F232 HydrophobicContact CD2-CD2 4.21Å; L209-F232 HydrophobicContact CD2-CG 4.14Å; L209-F232 HydrophobicContact CG-CB 3.99Å; L209-F232 HydrophobicContact CG-CG 4.48Å; L209-C234 HydrophobicContact CD1-CB 4.26Å
210H98Very high93.8Very high12 Ų1217 Ų176%0.05610%0.097CC..EExtended strand (participates in β ladder)trans-95.4128.9179.5-61.9-36.2000111W212 F232 M233 H292 A295 H296 A299H210-W212 PolarHBondContact O-N 2.89Å; H210-F232 CarbonylContact O-C 3.55Å; H210-F232 VanDerWaalsContact O-CA 3.25Å; H210-F232 WeakPolarHBondContact O-CA 3.25Å; H210-M233 HydrophobicContact CB-CB 4.44Å; H210-M233 PolarHBondContact N-O 3.3Å; H210-M233 PolarHBondContact O-N 3.3Å; H210-H292 AromaticContact NE2-CD2 3.63Å; H210-H292 AromaticContact NE2-NE2 3.56Å; H210-A295 HydrophobicContact CB-CB 4.14Å; H210-H296 AromaticContact CE1-ND1 3.31Å; H210-H296 PolarHBondContact CE1-ND1 3.08Å; H210-H296 VanDerWaalsContact CE1-ND1 3.31Å; H210-H296 AromaticContact NE2-ND1 3.72Å; H210-A299 HydrophobicContact CB-CB 3.94Å
211E97.9Very high92Very high1 Ų119.1 Ų19.11%0.00511%0.105CC..EExtended strand (participates in β ladder)trans-61122.8176.6-174.8-174.2128.900110.3F113 R298 A299 G302 C303F113-E211 HydrophobicContact CE2-CG 4.37Å; F113-E211 HydrophobicContact CZ-CG 4.15Å; E211-R298 PolarHBondContact O-NH1 2.7Å; E211-A299 HydrophobicContact CB-CB 4.38Å; E211-G302 VanDerWaalsContact OE1-C 3.31Å; E211-G302 VanDerWaalsContact OE1-CA 3.29Å; E211-G302 WeakPolarHBondContact OE1-CA 3.47Å; E211-C303 PolarHBondContact OE1-N 2.78Å; E211-C303 PolarHBondContact OE1-SG 2.97Å
212W98.1Very high90.2Very high1 Ų115.9 Ų15.90%0.0049%0.088CC..EExtended strand (participates in β ladder)trans-112.6-60.8-172.6-170.9-103.6000112.4I15 H210 F231 M233 E278 R281 L291 F294 A295 R298 H376I15-W212 HydrophobicContact CD1-CG 4.32Å; H210-W212 PolarHBondContact O-N 2.89Å; W212-F231 HydrophobicContact CB-CB 4.36Å; W212-F231 WeakPolarHBondContact CB-O 3.47Å; W212-F231 PolarHBondContact N-O 3.2Å; W212-M233 HydrophobicContact CB-CB 4.4Å; W212-M233 HydrophobicContact CD2-CB 4.39Å; W212-M233 HydrophobicContact CD2-CE 3.93Å; W212-M233 HydrophobicContact CE3-CB 4.11Å; W212-M233 HydrophobicContact CE3-CE 4.14Å; W212-M233 HydrophobicContact CG-CE 4.48Å; W212-M233 HydrophobicContact CH2-CE 4.22Å; W212-M233 HydrophobicContact CZ2-CE 4.02Å; W212-M233 HydrophobicContact CZ3-CE 4.28Å; W212-E278 PolarHBondContact NE1-OE2 3.08Å; W212-R281 HydrophobicContact CZ2-CB 4.44Å; W212-L291 HydrophobicContact CH2-CD1 4.25Å; W212-F294 AromaticContact CH2-CD1 3.97Å; W212-F294 HydrophobicContact CH2-CD1 3.97Å; W212-F294 AromaticContact CH2-CE1 3.8Å; W212-F294 HydrophobicContact CH2-CE1 3.8Å; W212-F294 AromaticContact CZ3-CD1 3.82Å; W212-F294 HydrophobicContact CZ3-CD1 3.82Å; W212-F294 AromaticContact CZ3-CE1 3.74Å; W212-F294 HydrophobicContact CZ3-CE1 3.74Å; W212-A295 HydrophobicContact CE3-CB 4.22Å; W212-A295 HydrophobicContact CZ3-CB 3.97Å; W212-R298 PolarHBondContact O-NH1 3.08Å; W212-H376 AromaticContact CE2-CE1 3.67Å; W212-H376 AromaticContact CE2-NE2 3.97Å; W212-H376 AromaticContact CH2-CE1 3.76Å; W212-H376 AromaticContact CZ2-CE1 3.55Å; W212-H376 PolarHBondContact O-NE2 3.15Å
213A98.1Very high88.5Confident5 Ų518.6 Ų18.64%0.04112%0.116CC..EExtended strand (participates in β ladder)trans-153.5167.7-176.900000111.8F231A213-F231 HydrophobicContact CB-CB 4.17Å; A213-F231 PolarHBondContact N-O 3.32Å; A213-F231 WeakPolarHBondContact O-CB 3.5Å; A213-F231 PolarHBondContact O-N 3.06Å
214N98.1Very high87Confident1 Ų130.6 Ų30.61%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-134.7121.3169175.3-138.6000110.5P110 F113 D228 T229 Q305 W306P110-N214 HydrophobicContact CB-CB 4.44Å; P110-N214 VanDerWaalsContact CB-OD1 3.27Å; P110-N214 WeakPolarHBondContact CB-OD1 3.39Å; P110-N214 HydrophobicContact CG-CB 4.35Å; F113-N214 HydrophobicContact CE2-CB 4.1Å; N214-D228 PolarHBondContact ND2-OD1 2.87Å; N214-D228 PolarHBondContact OD1-OD1 2.84Å; N214-T229 WeakPolarHBondContact CA-O 3.36Å; N214-T229 PolarHBondContact ND2-O 2.61Å; N214-Q305 WeakPolarHBondContact OD1-CA 3.42Å; N214-Q305 VanDerWaalsContact OD1-CB 3.25Å; N214-Q305 WeakPolarHBondContact OD1-CB 3.21Å; N214-Q305 VanDerWaalsContact OD1-CG 3.28Å; N214-Q305 WeakPolarHBondContact OD1-CG 3.13Å; N214-Q305 PolarHBondContact OD1-NE2 2.77Å; N214-W306 PolarHBondContact O-N 3.46Å
215W97.6Very high86.3Confident8 Ų833.4 Ų33.43%0.0318%0.179CC..EExtended strand (participates in β ladder)trans-118.4127.6-177.5-7188.3000110.9T229 F231 P274 Y277 E278 W306 P308 L321W215-T229 PolarHBondContact N-O 3.28Å; W215-T229 PolarHBondContact O-N 2.83Å; W215-F231 HydrophobicContact CB-CE2 3.97Å; W215-F231 AromaticContact CD1-CD2 3.8Å; W215-F231 AromaticContact CD1-CE2 3.64Å; W215-F231 HydrophobicContact CG-CE2 4.12Å; W215-P274 HydrophobicContact CD2-CB 3.82Å; W215-P274 HydrophobicContact CD2-CG 4.05Å; W215-P274 HydrophobicContact CE3-CB 4.2Å; W215-P274 HydrophobicContact CE3-CG 3.98Å; W215-P274 HydrophobicContact CG-CB 3.98Å; W215-P274 HydrophobicContact CG-CG 4.32Å; W215-P274 HydrophobicContact CZ2-CB 4.47Å; W215-P274 HydrophobicContact CZ3-CG 4.47Å; W215-Y277 HydrophobicContact CH2-CD2 4.23Å; W215-Y277 HydrophobicContact CH2-CG 4.09Å; W215-Y277 HydrophobicContact CZ2-CD1 4.18Å; W215-Y277 HydrophobicContact CZ2-CG 4Å; W215-E278 PolarHBondContact NE1-OE1 2.81Å; W215-W306 CarbonylContact C-O 3.52Å; W215-W306 WeakPolarHBondContact CA-O 3.41Å; W215-W306 HydrophobicContact CD2-CB 4.29Å; W215-W306 HydrophobicContact CE3-CB 4.07Å; W215-W306 AromaticContact CH2-CE3 3.57Å; W215-W306 HydrophobicContact CH2-CE3 3.57Å; W215-W306 HydrophobicContact CH2-CZ3 4.07Å; W215-W306 AromaticContact CZ2-CE3 3.53Å; W215-W306 HydrophobicContact CZ2-CE3 3.53Å; W215-W306 AromaticContact CZ2-CZ3 3.94Å; W215-W306 HydrophobicContact CZ2-CZ3 3.94Å; W215-W306 HydrophobicContact CZ3-CB 4.36Å; W215-W306 HydrophobicContact CZ3-CE3 4.15Å; W215-P308 HydrophobicContact CE3-CG 4.19Å; W215-P308 HydrophobicContact CZ3-CG 4Å; W215-L321 HydrophobicContact CH2-CD1 4.33Å; W215-L321 HydrophobicContact CH2-CD2 4.09Å; W215-L321 HydrophobicContact CZ3-CD2 3.72Å
216L94.9Very high85.9Confident6 Ų634.2 Ų34.23%0.03118%0.181CC..EExtended strand (participates in β ladder)trans-106.5127.2173.5175.158.3000109.8W8 F227 D228 Q305 W306 M307 P308W8-L216 HydrophobicContact CB-CD1 4.09Å; W8-L216 HydrophobicContact CD2-CD1 3.93Å; W8-L216 HydrophobicContact CE3-CD1 4.27Å; W8-L216 HydrophobicContact CE3-CD2 4.45Å; W8-L216 HydrophobicContact CG-CD1 3.86Å; W8-L216 HydrophobicContact CZ3-CD2 4.49Å; L216-F227 WeakPolarHBondContact CA-O 3.26Å; L216-F227 WeakPolarHBondContact CD1-O 3.24Å; L216-D228 HydrophobicContact CD1-CB 3.98Å; L216-Q305 HydrophobicContact CB-CG 3.95Å; L216-W306 PolarHBondContact N-O 2.99Å; L216-M307 HydrophobicContact CB-CB 4Å; L216-M307 HydrophobicContact CB-CG 4.18Å; L216-M307 HydrophobicContact CD2-CB 4.24Å; L216-M307 HydrophobicContact CD2-CG 4.13Å; L216-M307 HydrophobicContact CD2-SD 3.5Å; L216-M307 VanDerWaalsContact CD2-SD 3.5Å; L216-M307 HydrophobicContact CG-CB 4.25Å; L216-M307 HydrophobicContact CG-CG 3.97Å; L216-M307 HydrophobicContact CG-SD 3.83Å; L216-M307 WeakPolarHBondContact O-CA 3.41Å; L216-P308 VanDerWaalsContact O-CD 3.25Å; L216-P308 WeakPolarHBondContact O-CD 3.3Å
217T92Very high85.7Confident17 Ų1735.7 Ų35.710%0.10419%0.188CC..  trans-58133179.8-54.10000110.4F63 Y222 R226 F227F63-T217 HydrophobicContact CZ-CG2 4.48Å; T217-Y222 HydrophobicContact CG2-CD2 3.74Å; T217-Y222 HydrophobicContact CG2-CG 4.39Å; T217-R226 HydrophobicContact CG2-CB 4.43Å; T217-R226 HydrophobicContact CG2-CG 4.3Å; T217-R226 VanDerWaalsContact O-CZ 3.25Å; T217-R226 PolarHBondContact O-NE 2.8Å; T217-R226 PolarHBondContact O-NH2 2.83Å; T217-F227 PolarHBondContact N-O 3.04Å; T217-F227 PolarHBondContact OG1-N 2.83Å; T217-F227 PolarHBondContact OG1-O 2.97Å
218P88.7Confident85.7Confident10 Ų1035 Ų357%0.06519%0.185CC..  trans-60.7158.4179.326-36.2000112.3K221 Y222 R226 P308 I310P218-K221 HydrophobicContact CG-CB 4.23Å; P218-Y222 HydrophobicContact CG-CD2 3.88Å; P218-Y222 HydrophobicContact CG-CE2 3.8Å; P218-R226 PolarHBondContact O-NE 3.49Å; P218-P308 VanDerWaalsContact CB-O 3.31Å; P218-P308 WeakPolarHBondContact CB-O 3.23Å; P218-I310 HydrophobicContact CB-CG1 4.02Å; P218-I310 HydrophobicContact CG-CD1 4.5Å; P218-I310 HydrophobicContact CG-CG1 4.19Å
219T82Confident85.9Confident53 Ų5335.6 Ų35.633%0.32519%0.188SC..SBendtrans-71.3-29.9-176.847.60000114.3
220A63.8Low85.9Confident58 Ų5835.4 Ų35.448%0.47919%0.187SC..SBendtrans-107.3-18.1-164.700000116.5
221K57.8Low85.9Confident70 Ų7035.5 Ų35.530%0.30419%0.187SC..SBendtrans-99.8-22.5-162.8-162.8171.8-176.7173.90116.6P218 I310P218-K221 HydrophobicContact CG-CB 4.23Å; K221-I310 HydrophobicContact CB-CG1 4.33Å; K221-I310 HydrophobicContact CD-CD1 4.37Å; K221-I310 HydrophobicContact CD-CG1 4.14Å; K221-I310 HydrophobicContact CD-CG2 4.3Å
222Y56Low86Confident61 Ų6135.4 Ų35.424%0.23919%0.187CC..SBendtrans-124.925.8-167.8-58.3-71.6000115.2F63 M64 T217 P218F63-Y222 HydrophobicContact CE2-CG 4.17Å; M64-Y222 HydrophobicContact CE-CD1 3.86Å; M64-Y222 HydrophobicContact CE-CD2 4.36Å; M64-Y222 HydrophobicContact CE-CE1 3.44Å; M64-Y222 VanDerWaalsContact CE-CE1 3.44Å; M64-Y222 HydrophobicContact CE-CE2 3.98Å; M64-Y222 HydrophobicContact CE-CG 4.3Å; T217-Y222 HydrophobicContact CG2-CD2 3.74Å; T217-Y222 HydrophobicContact CG2-CG 4.39Å; P218-Y222 HydrophobicContact CG-CD2 3.88Å; P218-Y222 HydrophobicContact CG-CE2 3.8Å
223G59.4Low86Confident58 Ų5835.4 Ų35.460%0.59819%0.187SC*.THydrogen-bonded Turntrans78.1-155.418000000113.1
224R65.8Low86Confident252 Ų25235.2 Ų35.295%0.95119%0.185SC*.THydrogen-bonded Turntrans-77.9-18-175.6-61.5179.693.51595.7113.6
225T81.3Confident85.9Confident59 Ų5935.4 Ų35.436%0.36219%0.187SC..  trans-93.4120-174.4-50.50000110.2F227T225-F227 HydrophobicContact CG2-CD2 4.49Å; T225-F227 HydrophobicContact CG2-CE1 4.32Å; T225-F227 HydrophobicContact CG2-CE2 3.62Å; T225-F227 HydrophobicContact CG2-CZ 3.52Å
226R89.1Confident85.7Confident23 Ų2335.5 Ų35.59%0.08719%0.188CC..  trans-124.7145179.7-64178.166.6-146.2-1.7109.3W8 K9 T217 P218 M307W8-R226 CarbonylContact C-O 3.5Å; W8-R226 WeakPolarHBondContact CA-O 3.34Å; W8-R226 HydrophobicContact CB-CB 3.88Å; W8-R226 WeakPolarHBondContact CB-O 3.3Å; K9-R226 PolarHBondContact N-O 3.43Å; T217-R226 HydrophobicContact CG2-CB 4.43Å; T217-R226 HydrophobicContact CG2-CG 4.3Å; T217-R226 VanDerWaalsContact O-CZ 3.25Å; T217-R226 PolarHBondContact O-NE 2.8Å; T217-R226 PolarHBondContact O-NH2 2.83Å; P218-R226 PolarHBondContact O-NE 3.49Å; R226-M307 PolarHBondContact NH2-SD 3.02Å
227F92.8Very high85.5Confident30 Ų3039.9 Ų39.913%0.13221%0.208CC..EExtended strand (participates in β ladder)trans-122.6137.3178.4-58.7-86.3000110.7K9 A11 F63 M74 L216 T217 T225K9-F227 HydrophobicContact CB-CD1 3.88Å; K9-F227 HydrophobicContact CB-CE1 4.1Å; K9-F227 HydrophobicContact CD-CE1 3.98Å; K9-F227 CarbonylContact O-C 3.59Å; K9-F227 VanDerWaalsContact O-CA 3.26Å; K9-F227 WeakPolarHBondContact O-CA 3.24Å; A11-F227 HydrophobicContact CB-CD1 4.33Å; F63-F227 HydrophobicContact CD1-CE2 4.09Å; F63-F227 HydrophobicContact CD2-CE2 4.01Å; F63-F227 HydrophobicContact CE1-CD2 4.18Å; F63-F227 HydrophobicContact CE1-CE2 4.15Å; F63-F227 HydrophobicContact CE2-CD2 4.23Å; F63-F227 HydrophobicContact CE2-CE2 4.05Å; F63-F227 HydrophobicContact CG-CE2 4.01Å; F63-F227 AromaticContact CZ-CD2 4Å; F63-F227 HydrophobicContact CZ-CD2 4Å; F63-F227 HydrophobicContact CZ-CE2 4.13Å; M74-F227 HydrophobicContact CG-CD1 4.28Å; M74-F227 HydrophobicContact CG-CE1 3.7Å; M74-F227 HydrophobicContact SD-CE1 3.87Å; L216-F227 WeakPolarHBondContact CA-O 3.26Å; L216-F227 WeakPolarHBondContact CD1-O 3.24Å; T217-F227 PolarHBondContact N-O 3.04Å; T217-F227 PolarHBondContact OG1-N 2.83Å; T217-F227 PolarHBondContact OG1-O 2.97Å; T225-F227 HydrophobicContact CG2-CD2 4.49Å; T225-F227 HydrophobicContact CG2-CE1 4.32Å; T225-F227 HydrophobicContact CG2-CE2 3.62Å; T225-F227 HydrophobicContact CG2-CZ 3.52Å
228D95.9Very high85.2Confident1 Ų143.6 Ų43.61%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-103.1105.2164.8-173.73.5000107W8 K9 E10 A11 I112 N214 L216 Q305W8-D228 HydrophobicContact CG-CB 4.13Å; W8-D228 PolarHBondContact NE1-OD2 3.45Å; K9-D228 PolarHBondContact O-N 2.78Å; E10-D228 WeakPolarHBondContact CA-O 3.36Å; A11-D228 PolarHBondContact N-O 3.45Å; I112-D228 VanDerWaalsContact CD1-O 3.32Å; I112-D228 WeakPolarHBondContact CD1-O 3.32Å; N214-D228 PolarHBondContact ND2-OD1 2.87Å; N214-D228 PolarHBondContact OD1-OD1 2.84Å; L216-D228 HydrophobicContact CD1-CB 3.98Å; D228-Q305 PolarHBondContact OD1-NE2 3.07Å; D228-Q305 PolarHBondContact OD2-NE2 2.75Å
229T98.1Very high84.9Confident18 Ų1846.9 Ų46.911%0.1124%0.24CC..EExtended strand (participates in β ladder)trans-112.9121.1-165.5-54.60000110.6A11 T13 N214 W215 F231A11-T229 HydrophobicContact CB-CG2 4.16Å; A11-T229 WeakPolarHBondContact O-CA 3.37Å; T13-T229 VanDerWaalsContact OG1-CG2 3.29Å; T13-T229 WeakPolarHBondContact OG1-CG2 3.23Å; N214-T229 WeakPolarHBondContact CA-O 3.36Å; N214-T229 PolarHBondContact ND2-O 2.61Å; W215-T229 PolarHBondContact N-O 3.28Å; W215-T229 PolarHBondContact O-N 2.83Å; T229-F231 HydrophobicContact CG2-CD2 3.89Å; T229-F231 HydrophobicContact CG2-CE2 3.51Å; T229-F231 HydrophobicContact CG2-CZ 4.28Å
230A98.6Very high85Confident0 Ų045.6 Ų45.60%023%0.233CC..EExtended strand (participates in β ladder)trans-81.6123.4168.800000109.9A11 S12 T13 I112 F113 L130 F232A11-A230 PolarHBondContact O-N 2.84Å; S12-A230 CarbonylContact C-O 3.56Å; S12-A230 WeakPolarHBondContact CA-O 3.37Å; T13-A230 PolarHBondContact N-O 2.84Å; I112-A230 HydrophobicContact CD1-CB 4.31Å; F113-A230 HydrophobicContact CE1-CB 3.79Å; F113-A230 HydrophobicContact CZ-CB 3.56Å; L130-A230 HydrophobicContact CD1-CB 4.34Å; L130-A230 HydrophobicContact CD2-CB 4.43Å; A230-F232 HydrophobicContact CB-CE2 3.97Å; A230-F232 HydrophobicContact CB-CZ 4Å
231F98.8Very high85.5Confident13 Ų1346.7 Ų46.76%0.05724%0.237CC..EExtended strand (participates in β ladder)trans-99.3129.6175.9-75.2-117.6000109.4T13 I15 F70 W212 A213 W215 T229 P274T13-F231 HydrophobicContact CG2-CD1 3.83Å; T13-F231 HydrophobicContact CG2-CE1 3.77Å; T13-F231 HydrophobicContact CG2-CG 4.44Å; T13-F231 HydrophobicContact CG2-CZ 4.31Å; T13-F231 WeakPolarHBondContact O-CA 3.47Å; I15-F231 HydrophobicContact CD1-CD1 4.22Å; I15-F231 HydrophobicContact CG1-CD1 4.3Å; F70-F231 HydrophobicContact CD2-CD1 4.47Å; F70-F231 HydrophobicContact CD2-CE1 4.08Å; F70-F231 HydrophobicContact CE2-CE1 4.48Å; W212-F231 HydrophobicContact CB-CB 4.36Å; W212-F231 WeakPolarHBondContact CB-O 3.47Å; W212-F231 PolarHBondContact N-O 3.2Å; A213-F231 HydrophobicContact CB-CB 4.17Å; A213-F231 PolarHBondContact N-O 3.32Å; A213-F231 WeakPolarHBondContact O-CB 3.5Å; A213-F231 PolarHBondContact O-N 3.06Å; W215-F231 HydrophobicContact CB-CE2 3.97Å; W215-F231 AromaticContact CD1-CD2 3.8Å; W215-F231 AromaticContact CD1-CE2 3.64Å; W215-F231 HydrophobicContact CG-CE2 4.12Å; T229-F231 HydrophobicContact CG2-CD2 3.89Å; T229-F231 HydrophobicContact CG2-CE2 3.51Å; T229-F231 HydrophobicContact CG2-CZ 4.28Å; F231-P274 HydrophobicContact CZ-CB 4.22Å
232F98.8Very high86.1Confident0 Ų044.9 Ų44.90%023%0.231CC..EExtended strand (participates in β ladder)trans-115.2148.7172.4-59.4-69.4000110.5T13 L14 I15 F113 L130 R131 A134 L209 H210 A230T13-F232 PolarHBondContact O-N 2.76Å; L14-F232 HydrophobicContact CD1-CB 3.92Å; I15-F232 PolarHBondContact N-O 2.97Å; F113-F232 HydrophobicContact CE1-CE1 4.32Å; F113-F232 HydrophobicContact CE1-CZ 4.08Å; L130-F232 HydrophobicContact CB-CE2 3.95Å; L130-F232 HydrophobicContact CB-CZ 3.86Å; R131-F232 HydrophobicContact CG-CD1 4.23Å; R131-F232 HydrophobicContact CG-CD2 4.44Å; R131-F232 HydrophobicContact CG-CE1 3.95Å; R131-F232 HydrophobicContact CG-CE2 4.12Å; R131-F232 HydrophobicContact CG-CG 4.48Å; R131-F232 HydrophobicContact CG-CZ 3.86Å; A134-F232 HydrophobicContact CB-CD2 3.82Å; A134-F232 HydrophobicContact CB-CE2 4.35Å; L209-F232 HydrophobicContact CB-CB 4.04Å; L209-F232 HydrophobicContact CB-CD1 4.44Å; L209-F232 HydrophobicContact CB-CG 4.27Å; L209-F232 HydrophobicContact CD2-CB 4.01Å; L209-F232 HydrophobicContact CD2-CD2 4.21Å; L209-F232 HydrophobicContact CD2-CG 4.14Å; L209-F232 HydrophobicContact CG-CB 3.99Å; L209-F232 HydrophobicContact CG-CG 4.48Å; H210-F232 CarbonylContact O-C 3.55Å; H210-F232 VanDerWaalsContact O-CA 3.25Å; H210-F232 WeakPolarHBondContact O-CA 3.25Å; A230-F232 HydrophobicContact CB-CE2 3.97Å; A230-F232 HydrophobicContact CB-CZ 4Å
233M98.6Very high86.6Confident0 Ų043.9 Ų43.90%023%0.23CC..EExtended strand (participates in β ladder)trans-106.3135.3171.5-177.768.366.500109.3I15 T17 H210 W212 M282 L291 A295I15-M233 HydrophobicContact CB-CE 3.9Å; I15-M233 HydrophobicContact CB-SD 3.88Å; I15-M233 HydrophobicContact CD1-CE 3.97Å; I15-M233 HydrophobicContact CG2-CE 3.63Å; I15-M233 HydrophobicContact CG2-SD 3.66Å; T17-M233 HydrophobicContact CG2-SD 4.11Å; H210-M233 HydrophobicContact CB-CB 4.44Å; H210-M233 PolarHBondContact N-O 3.3Å; H210-M233 PolarHBondContact O-N 3.3Å; W212-M233 HydrophobicContact CB-CB 4.4Å; W212-M233 HydrophobicContact CD2-CB 4.39Å; W212-M233 HydrophobicContact CD2-CE 3.93Å; W212-M233 HydrophobicContact CE3-CB 4.11Å; W212-M233 HydrophobicContact CE3-CE 4.14Å; W212-M233 HydrophobicContact CG-CE 4.48Å; W212-M233 HydrophobicContact CH2-CE 4.22Å; W212-M233 HydrophobicContact CZ2-CE 4.02Å; W212-M233 HydrophobicContact CZ3-CE 4.28Å; M233-M282 HydrophobicContact CE-CE 4.31Å; M233-M282 HydrophobicContact CE-CG 4.24Å; M233-M282 HydrophobicContact CE-SD 4.26Å; M233-L291 HydrophobicContact CE-CD1 4.3Å; M233-L291 HydrophobicContact SD-CD2 4.22Å; M233-A295 HydrophobicContact CB-CB 4.15Å; M233-A295 HydrophobicContact CG-CB 3.86Å
234C98Very high86.6Confident1 Ų146.8 Ų46.81%0.00723%0.228CC..EExtended strand (participates in β ladder)trans-134.7131.6170.8179.50000109.3L14 I15 L16 T17 L209L14-C234 HydrophobicContact CD1-CB 3.76Å; L14-C234 HydrophobicContact CD2-CB 4.39Å; L14-C234 HydrophobicContact CG-CB 4.37Å; I15-C234 PolarHBondContact O-N 3.21Å; L16-C234 HydrophobicContact CD1-CB 3.82Å; T17-C234 PolarHBondContact N-O 3.16Å; T17-C234 PolarHBondContact OG1-O 2.78Å; L209-C234 HydrophobicContact CD1-CB 4.26Å
235C96.6Very high86.3Confident6 Ų636.6 Ų36.64%0.04119%0.192CC..EExtended strand (participates in β ladder)trans-117.7109.1-176.9-61.70000109.8T17 L288 H292T17-C235 WeakPolarHBondContact OG1-CA 3.23Å; T17-C235 PolarHBondContact OG1-SG 3.46Å; C235-L288 HydrophobicContact CB-CD1 3.82Å; C235-L288 HydrophobicContact CB-CG 4.45Å; C235-H292 HydrophobicContact CB-CB 3.69Å
236L93.5Very high85.1Confident10 Ų1041.8 Ų41.85%0.05221%0.213CC..EExtended strand (participates in β ladder)trans-95.3134.9177.2-56.6-179.5000110L16 T17 A18 G19 L146 E238 P240 L288L16-L236 HydrophobicContact CD1-CD1 3.81Å; L16-L236 HydrophobicContact CD1-CG 3.86Å; L16-L236 HydrophobicContact CD2-CD1 4.32Å; L16-L236 HydrophobicContact CG-CD1 4.35Å; T17-L236 PolarHBondContact O-N 3Å; A18-L236 CarbonylContact C-O 3.5Å; A18-L236 VanDerWaalsContact CA-O 3.22Å; A18-L236 WeakPolarHBondContact CA-O 3.45Å; A18-L236 HydrophobicContact CB-CB 4.28Å; G19-L236 PolarHBondContact N-O 2.68Å; L146-L236 HydrophobicContact CD2-CD1 4.09Å; L146-L236 HydrophobicContact CD2-CD2 4.03Å; L236-E238 VanDerWaalsContact C-N 3.26Å; L236-E238 WeakPolarHBondContact CB-O 3.01Å; L236-E238 PolarHBondContact O-N 2.91Å; L236-P240 HydrophobicContact CD1-CB 4.32Å; L236-P240 HydrophobicContact CD1-CG 3.7Å; L236-L288 VanDerWaalsContact O-CD2 3.28Å; L236-L288 WeakPolarHBondContact O-CD2 3.24Å
237Q89.6Confident83.7Confident98 Ų9849.1 Ų49.146%0.45825%0.245SC..SBendtrans-67.4-30.2177.4-68.7-64.3-31.500112.4G19 D289G19-Q237 WeakPolarHBondContact CA-O 3.3Å; Q237-D289 PolarHBondContact NE2-OD1 2.89Å
238E85.2Confident82.1Confident95 Ų9552.7 Ų52.744%0.44426%0.262SS..SBendtrans-127.3150.3177.5-59.6-166.3172.900111.1R21 L236 P240R21-E238 IonicContact CZ-OE2 3.6Å; R21-E238 IonicContact NE-OE1 3.96Å; R21-E238 IonicContact NE-OE2 3.7Å; R21-E238 IonicContact NH2-OE1 3.64Å; R21-E238 IonicContact NH2-OE2 2.7Å; R21-E238 PolarHBondContact NH2-OE2 3.14Å; L236-E238 VanDerWaalsContact C-N 3.26Å; L236-E238 WeakPolarHBondContact CB-O 3.01Å; L236-E238 PolarHBondContact O-N 2.91Å; E238-P240 WeakPolarHBondContact O-CD 3.39Å
239M83.8Confident80.8Confident79 Ų7953 Ų5339%0.38926%0.264SS..PPolyproline II helixtrans-69.5119.3178.2-163179.5-4900111A18 W254A18-M239 HydrophobicContact CB-CB 4.1Å; A18-M239 HydrophobicContact CB-CG 4.25Å; M239-W254 HydrophobicContact CG-CD2 4.11Å; M239-W254 HydrophobicContact CG-CG 4.4Å; M239-W254 HydrophobicContact CG-CZ2 4.18Å; M239-W254 HydrophobicContact SD-CB 4.26Å; M239-W254 HydrophobicContact SD-CD2 4.13Å; M239-W254 HydrophobicContact SD-CG 3.81Å
240P83.4Confident79.2Confident26 Ų2656.4 Ų56.417%0.16928%0.278CS..PPolyproline II helixtrans-72.8156.6179.631.5-35.4000110.6V144 L236 E238 T242 W254V144-P240 HydrophobicContact CB-CG 4.45Å; V144-P240 HydrophobicContact CG1-CB 3.98Å; V144-P240 HydrophobicContact CG1-CG 3.7Å; V144-P240 HydrophobicContact CG2-CB 4.34Å; V144-P240 HydrophobicContact CG2-CG 3.83Å; L236-P240 HydrophobicContact CD1-CB 4.32Å; L236-P240 HydrophobicContact CD1-CG 3.7Å; E238-P240 WeakPolarHBondContact O-CD 3.39Å; P240-T242 PolarHBondContact O-N 2.99Å; P240-W254 HydrophobicContact CG-CH2 4.33Å; P240-W254 HydrophobicContact CG-CZ2 3.98Å
241S74.1Confident78.2Confident81 Ų8163.4 Ų63.457%0.56631%0.305SS*.PPolyproline II helixtrans-63.8124168.161.10000110.6
242T71.3Confident77.4Confident31 Ų3165.4 Ų65.419%0.1931%0.314CS..PPolyproline II helixtrans-102.9139.3175.545.70000110.7V144 P240 F252 W254V144-T242 HydrophobicContact CG2-CG2 3.65Å; P240-T242 PolarHBondContact O-N 2.99Å; T242-F252 HydrophobicContact CG2-CD2 4.28Å; T242-F252 HydrophobicContact CG2-CE2 4.34Å; T242-F252 WeakPolarHBondContact OG1-CE2 3.33Å; T242-F252 WeakPolarHBondContact OG1-CZ 3.34Å; T242-W254 HydrophobicContact CG2-CZ2 4.24Å
243L66.7Low76.9Confident41 Ų4167.5 Ų67.522%0.21532%0.323CS..  trans-111132.2176.1-65.3172.5000109.3S142 L179 R183S142-L243 CarbonylContact C-O 3.49Å; S142-L243 PolarHBondContact O-N 3.18Å; S142-L243 VanDerWaalsContact O-O 3.12Å; L179-L243 HydrophobicContact CB-CD1 4.28Å; R183-L243 PolarHBondContact NH1-O 3.1Å
244Q58.8Low76.7Confident118 Ų11869.1 Ų69.155%0.55133%0.33SS*.  trans-78.8134175.2-165.3171.1-4.900110.1E250 F252Q244-E250 PolarHBondContact NE2-O 3.17Å; Q244-F252 HydrophobicContact CB-CE1 4.14Å
245D58.8Low76.6Confident38 Ų3869.8 Ų69.820%0.20333%0.334CS..  trans-111.2145.6159.8-173.6-3.4000106.3N187 K247N187-D245 PolarHBondContact ND2-OD2 2.98Å; D245-K247 PolarHBondContact OD1-N 3.26Å
246E55.7Low76.6Confident169 Ų16969.5 Ų69.579%0.7933%0.332SS*.SBendtrans-100.60.9-177.8-65.3-175164.500112.8
247K60.4Low76.8Confident177 Ų17769 Ų6977%0.7733%0.33SS*.SBendtrans-85.2-63.2-174-69.3-179.5-178174.70113.9D245D245-K247 PolarHBondContact OD1-N 3.26Å
248E59.7Low77Confident105 Ų10564.4 Ų64.449%0.49131%0.308SS..SBendtrans-98.2-40.5-174.9178157.2-163.400112.8R57 S58R57-E248 IonicContact NH2-OE1 3.34Å; S58-E248 VanDerWaalsContact CB-O 3.3Å; S58-E248 WeakPolarHBondContact CB-O 3.48Å; S58-E248 PolarHBondContact N-O 2.85Å
249I68.4Low77.5Confident7 Ų762.4 Ų62.44%0.03630%0.299CS..EExtended strand (participates in β ladder)trans-102.3133.5176.5-59.3-52.5000108.1L55 K56 E141 R251L55-I249 HydrophobicContact CB-CD1 3.81Å; L55-I249 HydrophobicContact CB-CG1 4.21Å; L55-I249 HydrophobicContact CB-CG2 3.84Å; L55-I249 HydrophobicContact CD1-CD1 4.17Å; L55-I249 HydrophobicContact CD1-CG1 4.1Å; L55-I249 HydrophobicContact CD2-CG2 4.36Å; K56-I249 WeakPolarHBondContact O-CA 3.49Å; E141-I249 HydrophobicContact CB-CG1 4.01Å; E141-I249 HydrophobicContact CG-CG1 4.42Å; I249-R251 WeakPolarHBondContact CG2-O 3.39Å
250E64.3Low78.2Confident89 Ų8958.7 Ų58.742%0.41628%0.28SS..EExtended strand (participates in β ladder)trans-84.8-36.8177.8-171.2-173.7141.900110.8K56 Q244K56-E250 HydrophobicContact CD-CB 4.28Å; K56-E250 VanDerWaalsContact CE-OE2 3.23Å; K56-E250 WeakPolarHBondContact CE-OE2 3.27Å; K56-E250 IonicContact NZ-OE1 2.86Å; K56-E250 PolarHBondContact NZ-OE1 2.74Å; K56-E250 IonicContact NZ-OE2 3.48Å; K56-E250 PolarHBondContact NZ-OE2 3.45Å; K56-E250 PolarHBondContact O-N 2.85Å; Q244-E250 PolarHBondContact NE2-O 3.17Å
251R77.1Confident78.7Confident147 Ų14757.5 Ų57.556%0.55527%0.273SS*.EExtended strand (participates in β ladder)trans-159.2146.6-174.3-176.8173.4179.1179.51.7110.7K56 I249K56-R251 HydrophobicContact CB-CB 4.4Å; K56-R251 PolarHBondContact N-O 2.83Å; I249-R251 WeakPolarHBondContact CG2-O 3.39Å
252F82.8Confident79.7Confident56 Ų5657.6 Ų57.625%0.24626%0.264CS..EExtended strand (participates in β ladder)trans-104.2155.6163.866.1-94.1000110.9L53 L54 L55 T242 Q244L53-F252 HydrophobicContact CD1-CB 4.04Å; L54-F252 CarbonylContact O-C 3.14Å; L54-F252 VanDerWaalsContact O-CA 3.29Å; L54-F252 WeakPolarHBondContact O-CA 3.39Å; L55-F252 HydrophobicContact CD2-CB 3.58Å; T242-F252 HydrophobicContact CG2-CD2 4.28Å; T242-F252 HydrophobicContact CG2-CE2 4.34Å; T242-F252 WeakPolarHBondContact OG1-CE2 3.33Å; T242-F252 WeakPolarHBondContact OG1-CZ 3.34Å; Q244-F252 HydrophobicContact CB-CE1 4.14Å
253Q88.9Confident80.8Confident44 Ų4457 Ų5721%0.20626%0.261CS..EExtended strand (participates in β ladder)trans-143.3130.7179176173.3-7.100109.6L54 S255L54-Q253 PolarHBondContact N-O 3.38Å; L54-Q253 PolarHBondContact O-N 2.86Å; Q253-S255 WeakPolarHBondContact CG-OG 3.37Å; Q253-S255 PolarHBondContact NE2-OG 3.18Å
254W93.7Very high82.2Confident34 Ų3455.4 Ų55.413%0.12925%0.253CS..EExtended strand (participates in β ladder)trans-98.2124.6163.1-69.897.2000108.1L16 A18 D51 V52 L53 M239 P240 T242L16-W254 HydrophobicContact CD2-CH2 3.87Å; L16-W254 HydrophobicContact CD2-CZ2 4.39Å; L16-W254 HydrophobicContact CG-CH2 4Å; A18-W254 HydrophobicContact CB-CE3 4.23Å; A18-W254 HydrophobicContact CB-CH2 3.73Å; A18-W254 HydrophobicContact CB-CZ3 3.52Å; D51-W254 HydrophobicContact CB-CB 3.93Å; D51-W254 HydrophobicContact CB-CE3 4.03Å; V52-W254 WeakPolarHBondContact O-CA 3.46Å; L53-W254 HydrophobicContact CB-CD2 4.19Å; L53-W254 HydrophobicContact CB-CE3 4.01Å; L53-W254 HydrophobicContact CB-CH2 3.72Å; L53-W254 HydrophobicContact CB-CZ2 3.88Å; L53-W254 HydrophobicContact CB-CZ3 3.77Å; L53-W254 HydrophobicContact CD1-CD2 4.26Å; L53-W254 HydrophobicContact CD1-CZ2 4.1Å; L53-W254 HydrophobicContact CD2-CH2 4.46Å; L53-W254 HydrophobicContact CD2-CZ2 4.11Å; L53-W254 HydrophobicContact CG-CZ2 4.25Å; M239-W254 HydrophobicContact CG-CD2 4.11Å; M239-W254 HydrophobicContact CG-CG 4.4Å; M239-W254 HydrophobicContact CG-CZ2 4.18Å; M239-W254 HydrophobicContact SD-CB 4.26Å; M239-W254 HydrophobicContact SD-CD2 4.13Å; M239-W254 HydrophobicContact SD-CG 3.81Å; P240-W254 HydrophobicContact CG-CH2 4.33Å; P240-W254 HydrophobicContact CG-CZ2 3.98Å; T242-W254 HydrophobicContact CG2-CZ2 4.24Å
255S95.3Very high83.8Confident15 Ų1554 Ų5411%0.10525%0.246CC..EExtended strand (participates in β ladder)trans-153.7157.4175.7-670000111.1V52 Q253V52-S255 PolarHBondContact N-O 2.87Å; V52-S255 PolarHBondContact O-N 3.26Å; Q253-S255 WeakPolarHBondContact CG-OG 3.37Å; Q253-S255 PolarHBondContact NE2-OG 3.18Å
256T97Very high85.4Confident0 Ų054.7 Ų54.70%026%0.257CS..  trans-65.4152.2176.365.80000110.2S45 F48 D51 S258 E259 I260S45-T256 WeakPolarHBondContact CB-OG1 3.26Å; F48-T256 HydrophobicContact CB-CG2 3.69Å; F48-T256 HydrophobicContact CD2-CG2 4.3Å; F48-T256 HydrophobicContact CG-CG2 4.14Å; D51-T256 WeakPolarHBondContact OD1-CG2 3.48Å; D51-T256 PolarHBondContact OD1-N 2.8Å; T256-S258 PolarHBondContact O-N 3.17Å; T256-S258 PolarHBondContact OG1-OG 3.31Å; T256-E259 WeakPolarHBondContact CG2-OE2 3.38Å; T256-E259 PolarHBondContact N-OE2 3.43Å; T256-E259 VanDerWaalsContact N-OE2 3.09Å; T256-E259 PolarHBondContact O-N 3.13Å; T256-E259 WeakPolarHBondContact OG1-CB 3.29Å; T256-E259 VanDerWaalsContact OG1-CG 3.23Å; T256-E259 WeakPolarHBondContact OG1-CG 3.2Å; T256-E259 PolarHBondContact OG1-N 3.38Å; T256-E259 PolarHBondContact OG1-OE2 3.25Å; T256-I260 WeakPolarHBondContact O-CG1 3.47Å; T256-I260 PolarHBondContact O-N 2.69Å
257P96.9Very high87.4Confident0 Ų053.9 Ų53.90%025%0.247CC..Hα-helixtrans-52.9-40.7176.2-25.532.5000113.1F48 Y50 V52 I260 L261 L279 M282F48-P257 HydrophobicContact CD1-CG 4.17Å; F48-P257 HydrophobicContact CE1-CB 4.18Å; F48-P257 HydrophobicContact CE1-CG 3.68Å; F48-P257 HydrophobicContact CZ-CB 4.26Å; F48-P257 HydrophobicContact CZ-CG 4.24Å; Y50-P257 HydrophobicContact CE2-CG 3.84Å; V52-P257 HydrophobicContact CG2-CG 3.72Å; P257-I260 PolarHBondContact O-N 3.28Å; P257-L261 WeakPolarHBondContact O-CG 3.34Å; P257-L261 PolarHBondContact O-N 3.02Å; P257-L261 VanDerWaalsContact O-N 3.16Å; P257-L279 HydrophobicContact CB-CD2 4.3Å; P257-M282 HydrophobicContact CB-CB 4.1Å; P257-M282 HydrophobicContact CG-CB 3.93Å; P257-M282 HydrophobicContact CG-CE 4.21Å
258S95.2Very high89Confident0 Ų055 Ų550%025%0.246CC..Hα-helixtrans-66-42.3179.967.40000113.1P43 S45 F48 T256 I260 L261 Q262P43-S258 WeakPolarHBondContact O-CB 3.4Å; P43-S258 PolarHBondContact O-OG 3.28Å; S45-S258 WeakPolarHBondContact CA-OG 3.26Å; F48-S258 WeakPolarHBondContact CE2-OG 3.31Å; T256-S258 PolarHBondContact O-N 3.17Å; T256-S258 PolarHBondContact OG1-OG 3.31Å; S258-I260 VanDerWaalsContact C-N 3.3Å; S258-I260 PolarHBondContact O-N 2.85Å; S258-L261 PolarHBondContact O-N 2.99Å; S258-Q262 WeakPolarHBondContact O-CB 3.33Å; S258-Q262 VanDerWaalsContact O-CG 3.24Å; S258-Q262 WeakPolarHBondContact O-CG 3.23Å; S258-Q262 PolarHBondContact O-N 3.08Å
259E96.1Very high90.6Very high54 Ų5450.4 Ų50.425%0.25223%0.225SC..Hα-helixtrans-64.2-36.4177.6-78.6162160.100112.1S45 T256 S263S45-E259 VanDerWaalsContact CB-CG 3.47Å; S45-E259 WeakPolarHBondContact CB-OE1 3.22Å; S45-E259 PolarHBondContact OG-OE1 3.29Å; T256-E259 WeakPolarHBondContact CG2-OE2 3.38Å; T256-E259 PolarHBondContact N-OE2 3.43Å; T256-E259 VanDerWaalsContact N-OE2 3.09Å; T256-E259 PolarHBondContact O-N 3.13Å; T256-E259 WeakPolarHBondContact OG1-CB 3.29Å; T256-E259 VanDerWaalsContact OG1-CG 3.23Å; T256-E259 WeakPolarHBondContact OG1-CG 3.2Å; T256-E259 PolarHBondContact OG1-N 3.38Å; T256-E259 PolarHBondContact OG1-OE2 3.25Å; E259-S263 WeakPolarHBondContact O-CB 3.39Å; E259-S263 PolarHBondContact O-N 2.9Å; E259-S263 PolarHBondContact O-OG 2.98Å
260I96.5Very high91.9Very high0 Ų052.7 Ų52.70%023%0.233CC..Hα-helixtrans-64.7-49.5176.8-63.5160.6000109.8V52 L54 T256 P257 S258 Q262 S263 Y264 L269 I271 L279V52-I260 HydrophobicContact CB-CD1 4.22Å; L54-I260 HydrophobicContact CD1-CB 4.29Å; L54-I260 HydrophobicContact CD1-CD1 3.53Å; L54-I260 HydrophobicContact CD1-CG1 3.72Å; L54-I260 HydrophobicContact CD1-CG2 3.56Å; L54-I260 HydrophobicContact CG-CD1 4.08Å; T256-I260 WeakPolarHBondContact O-CG1 3.47Å; T256-I260 PolarHBondContact O-N 2.69Å; P257-I260 PolarHBondContact O-N 3.28Å; S258-I260 VanDerWaalsContact C-N 3.3Å; S258-I260 PolarHBondContact O-N 2.85Å; I260-Q262 VanDerWaalsContact C-N 3.34Å; I260-Q262 PolarHBondContact O-N 3.37Å; I260-S263 PolarHBondContact O-N 3.36Å; I260-Y264 WeakPolarHBondContact O-CB 3.35Å; I260-Y264 PolarHBondContact O-N 3.39Å; I260-L269 HydrophobicContact CG2-CD1 4.24Å; I260-I271 HydrophobicContact CG2-CD1 4.32Å; I260-I271 HydrophobicContact CG2-CG2 4.37Å; I260-L279 HydrophobicContact CB-CD1 4.23Å; I260-L279 HydrophobicContact CD1-CD2 3.88Å; I260-L279 HydrophobicContact CG2-CD1 3.49Å; I260-L279 VanDerWaalsContact CG2-CD1 3.49Å
261L95.9Very high93.4Very high2 Ų248.6 Ų48.61%0.0121%0.214CC..Hα-helixtrans-62.7-40.5178.8-67.8173.1000112L42 P257 S258 Y264 Q265 I271 F276 L279L42-L261 HydrophobicContact CD2-CD1 3.83Å; P257-L261 WeakPolarHBondContact O-CG 3.34Å; P257-L261 PolarHBondContact O-N 3.02Å; P257-L261 VanDerWaalsContact O-N 3.16Å; S258-L261 PolarHBondContact O-N 2.99Å; L261-Y264 WeakPolarHBondContact O-CB 3.49Å; L261-Y264 PolarHBondContact O-N 3.02Å; L261-Q265 WeakPolarHBondContact O-CG 3.44Å; L261-Q265 PolarHBondContact O-N 2.74Å; L261-I271 HydrophobicContact CD2-CD1 4.24Å; L261-F276 HydrophobicContact CD2-CD2 3.54Å; L261-F276 HydrophobicContact CD2-CE2 3.76Å; L261-F276 HydrophobicContact CD2-CG 4.16Å; L261-L279 HydrophobicContact CD1-CB 4.38Å; L261-L279 HydrophobicContact CD2-CB 3.98Å; L261-L279 HydrophobicContact CG-CB 4.13Å
262Q94.1Very high94.2Very high82 Ų8241.9 Ų41.938%0.38319%0.19SC..Hα-helixtrans-65.6-40.2174.5-71.4170.913.600111.8S258 I260 Y264 Q265 A266S258-Q262 WeakPolarHBondContact O-CB 3.33Å; S258-Q262 VanDerWaalsContact O-CG 3.24Å; S258-Q262 WeakPolarHBondContact O-CG 3.23Å; S258-Q262 PolarHBondContact O-N 3.08Å; I260-Q262 VanDerWaalsContact C-N 3.34Å; I260-Q262 PolarHBondContact O-N 3.37Å; Q262-Y264 VanDerWaalsContact C-N 3.31Å; Q262-Y264 PolarHBondContact O-N 3.32Å; Q262-Q265 PolarHBondContact O-N 2.94Å; Q262-A266 VanDerWaalsContact O-CB 3.24Å; Q262-A266 WeakPolarHBondContact O-CB 3.34Å; Q262-A266 PolarHBondContact O-N 3.18Å
263S95Very high94.8Very high19 Ų1940 Ų4013%0.13318%0.183CC..Hα-helixtrans-66.7-34.6176.7-64.30000112.2E259 I260 R267 R268 L269E259-S263 WeakPolarHBondContact O-CB 3.39Å; E259-S263 PolarHBondContact O-N 2.9Å; E259-S263 PolarHBondContact O-OG 2.98Å; I260-S263 PolarHBondContact O-N 3.36Å; S263-R267 PolarHBondContact O-N 2.91Å; S263-R268 PolarHBondContact O-N 3.49Å; S263-L269 PolarHBondContact O-N 2.94Å
264Y95Very high95.1Very high8 Ų839.3 Ų39.33%0.03118%0.183CC..Hα-helixtrans-61.3-53.1170.3169.3-102.2000111.3I260 L261 Q262 A266 R267 L269 I271 F276 P361 Y362 T364I260-Y264 WeakPolarHBondContact O-CB 3.35Å; I260-Y264 PolarHBondContact O-N 3.39Å; L261-Y264 WeakPolarHBondContact O-CB 3.49Å; L261-Y264 PolarHBondContact O-N 3.02Å; Q262-Y264 VanDerWaalsContact C-N 3.31Å; Q262-Y264 PolarHBondContact O-N 3.32Å; Y264-A266 VanDerWaalsContact C-N 3.28Å; Y264-A266 PolarHBondContact O-N 2.82Å; Y264-R267 PolarHBondContact O-N 3.3Å; Y264-L269 WeakPolarHBondContact CA-O 3.14Å; Y264-I271 HydrophobicContact CD2-CD1 4.4Å; Y264-I271 HydrophobicContact CD2-CG1 3.53Å; Y264-I271 HydrophobicContact CE2-CG1 4.1Å; Y264-I271 HydrophobicContact CG-CD1 4.23Å; Y264-I271 HydrophobicContact CG-CG1 3.85Å; Y264-F276 AromaticContact CD1-CD2 3.67Å; Y264-F276 HydrophobicContact CD1-CD2 3.67Å; Y264-F276 AromaticContact CD1-CE2 3.78Å; Y264-F276 HydrophobicContact CD1-CE2 3.78Å; Y264-F276 AromaticContact CE1-CD2 3.6Å; Y264-F276 HydrophobicContact CE1-CD2 3.6Å; Y264-F276 AromaticContact CE1-CE2 3.72Å; Y264-F276 HydrophobicContact CE1-CE2 3.72Å; Y264-F276 HydrophobicContact CG-CD2 4.5Å; Y264-P361 VanDerWaalsContact CE2-O 3.3Å; Y264-P361 WeakPolarHBondContact CE2-O 3.36Å; Y264-P361 PolarHBondContact OH-O 2.82Å; Y264-Y362 HydrophobicContact CD2-CD1 4.15Å; Y264-Y362 WeakPolarHBondContact CE1-O 3.29Å; Y264-Y362 HydrophobicContact CE2-CD1 4.24Å; Y264-Y362 VanDerWaalsContact CZ-CA 3.46Å; Y264-Y362 WeakPolarHBondContact O-CD1 3.42Å; Y264-Y362 WeakPolarHBondContact OH-CA 3.45Å; Y264-T364 PolarHBondContact OH-OG1 3.26Å
265Q92.6Very high95.2Very high88 Ų8838.2 Ų38.241%0.41118%0.179SC..Hα-helixtrans-60.9-36.8177.3-71.1175.7-26.100112.6L261 Q262 R267L261-Q265 WeakPolarHBondContact O-CG 3.44Å; L261-Q265 PolarHBondContact O-N 2.74Å; Q262-Q265 PolarHBondContact O-N 2.94Å; Q265-R267 PolarHBondContact O-N 2.9Å
266A93.8Very high95.3Very high52 Ų5238 Ų3843%0.4318%0.176SC..THydrogen-bonded Turntrans-76.67.7175.900000113.8Q262 Y264 R268Q262-A266 VanDerWaalsContact O-CB 3.24Å; Q262-A266 WeakPolarHBondContact O-CB 3.34Å; Q262-A266 PolarHBondContact O-N 3.18Å; Y264-A266 VanDerWaalsContact C-N 3.28Å; Y264-A266 PolarHBondContact O-N 2.82Å; A266-R268 HydrophobicContact CB-CG 4.11Å; A266-R268 PolarHBondContact O-N 2.82Å; A266-R268 VanDerWaalsContact O-N 3.14Å
267R95.7Very high95.3Very high153 Ų15338 Ų3858%0.57718%0.176SC*.THydrogen-bonded Turntrans57.824.4179.2-51.3-173.8169.7-174.4-3.8114.4S263 Y264 Q265 D360 Y362S263-R267 PolarHBondContact O-N 2.91Å; Y264-R267 PolarHBondContact O-N 3.3Å; Q265-R267 PolarHBondContact O-N 2.9Å; R267-D360 IonicContact NH2-OD1 2.9Å; R267-D360 IonicContact NH2-OD2 2.71Å; R267-D360 PolarHBondContact NH2-OD2 2.84Å; R267-Y362 HydrophobicContact CB-CD1 4.23Å; R267-Y362 HydrophobicContact CB-CD2 4.36Å; R267-Y362 HydrophobicContact CB-CE1 4.48Å; R267-Y362 HydrophobicContact CB-CG 4.15Å; R267-Y362 HydrophobicContact CG-CD1 4.26Å; R267-Y362 HydrophobicContact CG-CD2 3.95Å; R267-Y362 HydrophobicContact CG-CG 3.73Å
268R94.7Very high95.4Very high199 Ų19938 Ų3875%0.75118%0.176SC*.SBendtrans-85.2-29.7179.2-61-176.6-170.1171.42.9112.6S263 A266S263-R268 PolarHBondContact O-N 3.49Å; A266-R268 HydrophobicContact CB-CG 4.11Å; A266-R268 PolarHBondContact O-N 2.82Å; A266-R268 VanDerWaalsContact O-N 3.14Å
269L94.6Very high95.5Very high9 Ų938 Ų385%0.04718%0.176CC..SBendtrans-142.7155.4175.361.383.4000109.7Y68 I260 S263 Y264 I271 Y362Y68-L269 HydrophobicContact CD2-CB 3.54Å; Y68-L269 HydrophobicContact CE2-CB 3.52Å; Y68-L269 HydrophobicContact CG-CB 4.14Å; I260-L269 HydrophobicContact CG2-CD1 4.24Å; S263-L269 PolarHBondContact O-N 2.94Å; Y264-L269 WeakPolarHBondContact CA-O 3.14Å; L269-I271 HydrophobicContact CD1-CG2 3.78Å; L269-Y362 WeakPolarHBondContact O-CE1 3.36Å
270W95.3Very high95.5Very high56 Ų5635.6 Ų35.621%0.21217%0.165CC..  trans-113.6132.2174.2-172.682.2000109.7M64 A67 Y68 A272 P361 Y362M64-W270 HydrophobicContact CB-CZ3 4.14Å; M64-W270 HydrophobicContact CG-CH2 4.29Å; M64-W270 HydrophobicContact CG-CZ3 4.23Å; M64-W270 HydrophobicContact SD-CH2 4.18Å; M64-W270 HydrophobicContact SD-CZ3 4.2Å; A67-W270 HydrophobicContact CB-CE3 3.4Å; A67-W270 VanDerWaalsContact CB-CE3 3.4Å; A67-W270 HydrophobicContact CB-CZ3 3.45Å; A67-W270 VanDerWaalsContact CB-CZ3 3.45Å; Y68-W270 PolarHBondContact N-O 3.39Å; W270-A272 HydrophobicContact CH2-CB 4.05Å; W270-A272 HydrophobicContact CZ3-CB 4.19Å; W270-P361 VanDerWaalsContact CD1-O 3.29Å; W270-P361 PolarHBondContact NE1-O 2.82Å; W270-Y362 HydrophobicContact CB-CE1 3.69Å; W270-Y362 AromaticContact CD1-CE1 3.72Å; W270-Y362 AromaticContact CD1-CZ 3.94Å; W270-Y362 HydrophobicContact CG-CE1 4.13Å
271I95.8Very high95.5Very high2 Ų235.7 Ų35.71%0.0117%0.166CC..BIsolated β-bridgetrans-122.8148.7173.550.7171.9000109.3I260 L261 Y264 L269 Q275 F276 L279I260-I271 HydrophobicContact CG2-CD1 4.32Å; I260-I271 HydrophobicContact CG2-CG2 4.37Å; L261-I271 HydrophobicContact CD2-CD1 4.24Å; Y264-I271 HydrophobicContact CD2-CD1 4.4Å; Y264-I271 HydrophobicContact CD2-CG1 3.53Å; Y264-I271 HydrophobicContact CE2-CG1 4.1Å; Y264-I271 HydrophobicContact CG-CD1 4.23Å; Y264-I271 HydrophobicContact CG-CG1 3.85Å; L269-I271 HydrophobicContact CD1-CG2 3.78Å; I271-Q275 HydrophobicContact CB-CB 4.15Å; I271-F276 HydrophobicContact CD1-CB 3.93Å; I271-F276 HydrophobicContact CD1-CD2 4.26Å; I271-F276 HydrophobicContact CG1-CB 4.42Å; I271-L279 HydrophobicContact CD1-CD1 3.71Å
272A93.6Very high95.5Very high6 Ų635.6 Ų35.65%0.0517%0.165CC..  trans-73.6156.2178.700000111.6M64 W270 Q275 F276M64-A272 HydrophobicContact CE-CB 4.03Å; M64-A272 HydrophobicContact SD-CB 3.66Å; W270-A272 HydrophobicContact CH2-CB 4.05Å; W270-A272 HydrophobicContact CZ3-CB 4.19Å; A272-Q275 WeakPolarHBondContact O-CB 3.2Å; A272-Q275 PolarHBondContact O-N 3.38Å; A272-F276 PolarHBondContact O-N 3.09Å; A272-F276 VanDerWaalsContact O-N 3.09Å
273P94.6Very high95.6Very high17 Ų1732 Ų3211%0.1115%0.148CC..Hα-helixtrans-53.1-41.5-177-25.733000115.5Q275 F276 Y277 M356 M358P273-Q275 VanDerWaalsContact C-N 3.31Å; P273-Q275 PolarHBondContact O-N 3.12Å; P273-F276 PolarHBondContact O-N 3.3Å; P273-Y277 PolarHBondContact O-N 2.95Å; P273-M356 HydrophobicContact CB-CE 3.66Å; P273-M356 HydrophobicContact CB-SD 3.99Å; P273-M358 HydrophobicContact CG-SD 4.16Å
274P95.8Very high95.6Very high30 Ų3032.8 Ų32.820%0.19515%0.149CC..Hα-helixtrans-58.4-41.4174.3-26.736.8000112.9W215 F231 Y277 E278W215-P274 HydrophobicContact CD2-CB 3.82Å; W215-P274 HydrophobicContact CD2-CG 4.05Å; W215-P274 HydrophobicContact CE3-CB 4.2Å; W215-P274 HydrophobicContact CE3-CG 3.98Å; W215-P274 HydrophobicContact CG-CB 3.98Å; W215-P274 HydrophobicContact CG-CG 4.32Å; W215-P274 HydrophobicContact CZ2-CB 4.47Å; W215-P274 HydrophobicContact CZ3-CG 4.47Å; F231-P274 HydrophobicContact CZ-CB 4.22Å; P274-Y277 PolarHBondContact O-N 3.37Å; P274-E278 WeakPolarHBondContact O-CG 3.36Å; P274-E278 PolarHBondContact O-N 2.61Å
275Q96.6Very high95.7Very high10 Ų1034 Ų345%0.04715%0.154CC..Hα-helixtrans-67.4-42.3178.7-67.3176.660.300112.3Y68 V69 F70 I271 A272 P273 Y277 E278 L279Y68-Q275 VanDerWaalsContact O-CD 3.22Å; Y68-Q275 PolarHBondContact O-NE2 2.86Å; Y68-Q275 PolarHBondContact O-OE1 3.15Å; V69-Q275 VanDerWaalsContact CA-OE1 3.27Å; F70-Q275 HydrophobicContact CD2-CG 3.89Å; F70-Q275 HydrophobicContact CE2-CB 4.19Å; F70-Q275 HydrophobicContact CE2-CG 3.89Å; I271-Q275 HydrophobicContact CB-CB 4.15Å; A272-Q275 WeakPolarHBondContact O-CB 3.2Å; A272-Q275 PolarHBondContact O-N 3.38Å; P273-Q275 VanDerWaalsContact C-N 3.31Å; P273-Q275 PolarHBondContact O-N 3.12Å; Q275-Y277 VanDerWaalsContact C-N 3.27Å; Q275-Y277 PolarHBondContact O-N 2.9Å; Q275-E278 PolarHBondContact O-N 3.44Å; Q275-L279 VanDerWaalsContact O-CB 3.27Å; Q275-L279 WeakPolarHBondContact O-CB 3.48Å; Q275-L279 WeakPolarHBondContact O-CD1 3.18Å; Q275-L279 WeakPolarHBondContact O-CG 3.33Å; Q275-L279 PolarHBondContact O-N 3.39Å
276F96.9Very high95.8Very high12 Ų1230.8 Ų30.85%0.05314%0.141CC..Hα-helixtrans-56.4-45.9174.6178-86.2000110.7L261 Y264 I271 A272 P273 S280 T364 L366L261-F276 HydrophobicContact CD2-CD2 3.54Å; L261-F276 HydrophobicContact CD2-CE2 3.76Å; L261-F276 HydrophobicContact CD2-CG 4.16Å; Y264-F276 AromaticContact CD1-CD2 3.67Å; Y264-F276 HydrophobicContact CD1-CD2 3.67Å; Y264-F276 AromaticContact CD1-CE2 3.78Å; Y264-F276 HydrophobicContact CD1-CE2 3.78Å; Y264-F276 AromaticContact CE1-CD2 3.6Å; Y264-F276 HydrophobicContact CE1-CD2 3.6Å; Y264-F276 AromaticContact CE1-CE2 3.72Å; Y264-F276 HydrophobicContact CE1-CE2 3.72Å; Y264-F276 HydrophobicContact CG-CD2 4.5Å; I271-F276 HydrophobicContact CD1-CB 3.93Å; I271-F276 HydrophobicContact CD1-CD2 4.26Å; I271-F276 HydrophobicContact CG1-CB 4.42Å; A272-F276 PolarHBondContact O-N 3.09Å; A272-F276 VanDerWaalsContact O-N 3.09Å; P273-F276 PolarHBondContact O-N 3.3Å; F276-S280 WeakPolarHBondContact O-CB 3.12Å; F276-S280 PolarHBondContact O-N 3.15Å; F276-T364 HydrophobicContact CD1-CG2 3.87Å; F276-T364 HydrophobicContact CE1-CG2 3.66Å; F276-T364 HydrophobicContact CZ-CG2 4.12Å; F276-L366 HydrophobicContact CE1-CD1 3.84Å; F276-L366 HydrophobicContact CE1-CG 4.03Å
277Y97.4Very high95.9Very high0 Ų030.8 Ų30.80%013%0.134CC..Hα-helixtrans-62.5-50.2179.1-162.7-69.6000111.7W215 P273 P274 Q275 S280 R281 W306 L321 H354 M356 L366 I368 P379W215-Y277 HydrophobicContact CH2-CD2 4.23Å; W215-Y277 HydrophobicContact CH2-CG 4.09Å; W215-Y277 HydrophobicContact CZ2-CD1 4.18Å; W215-Y277 HydrophobicContact CZ2-CG 4Å; P273-Y277 PolarHBondContact O-N 2.95Å; P274-Y277 PolarHBondContact O-N 3.37Å; Q275-Y277 VanDerWaalsContact C-N 3.27Å; Q275-Y277 PolarHBondContact O-N 2.9Å; Y277-S280 PolarHBondContact O-N 3.16Å; Y277-R281 HydrophobicContact CD1-CG 4.38Å; Y277-R281 HydrophobicContact CE1-CG 4.21Å; Y277-R281 VanDerWaalsContact CE1-CZ 3.43Å; Y277-R281 PolarHBondContact O-N 2.8Å; Y277-R281 VanDerWaalsContact O-N 3.08Å; Y277-W306 HydrophobicContact CD1-CZ3 4.28Å; Y277-W306 HydrophobicContact CE1-CH2 4.11Å; Y277-W306 AromaticContact CE1-CZ3 3.71Å; Y277-W306 HydrophobicContact CE1-CZ3 3.71Å; Y277-W306 HydrophobicContact CE2-CZ3 4.12Å; Y277-W306 AromaticContact CZ-CH2 3.91Å; Y277-W306 AromaticContact CZ-CZ3 3.59Å; Y277-W306 WeakPolarHBondContact OH-CH2 3.41Å; Y277-L321 HydrophobicContact CD2-CD1 3.95Å; Y277-L321 HydrophobicContact CE2-CD1 3.56Å; Y277-H354 AromaticContact CE2-NE2 3.68Å; Y277-H354 AromaticContact CZ-NE2 3.56Å; Y277-H354 PolarHBondContact OH-NE2 3.2Å; Y277-M356 HydrophobicContact CD2-CG 4.31Å; Y277-M356 HydrophobicContact CD2-SD 4Å; Y277-L366 HydrophobicContact CD2-CD2 3.78Å; Y277-L366 HydrophobicContact CE2-CD2 3.95Å; Y277-I368 HydrophobicContact CE2-CD1 4.07Å; Y277-P379 HydrophobicContact CD1-CG 4.5Å; Y277-P379 HydrophobicContact CE1-CG 3.96Å; Y277-P379 HydrophobicContact CE2-CG 4.09Å
278E97.8Very high95.9Very high0 Ų023.7 Ų23.70%011%0.107CC..Hα-helixtrans-68.3-40.2-178.2-60.5-48.315400112.7I15 F70 W212 W215 P274 Q275 S280 R281 M282I15-E278 HydrophobicContact CD1-CB 4.04Å; I15-E278 HydrophobicContact CD1-CG 4.36Å; F70-E278 HydrophobicContact CE2-CB 4.4Å; W212-E278 PolarHBondContact NE1-OE2 3.08Å; W215-E278 PolarHBondContact NE1-OE1 2.81Å; P274-E278 WeakPolarHBondContact O-CG 3.36Å; P274-E278 PolarHBondContact O-N 2.61Å; Q275-E278 PolarHBondContact O-N 3.44Å; E278-S280 VanDerWaalsContact C-N 3.27Å; E278-S280 PolarHBondContact O-N 3.02Å; E278-R281 VanDerWaalsContact CD-NH1 3.33Å; E278-R281 WeakPolarHBondContact O-CB 3.29Å; E278-R281 PolarHBondContact O-N 3.21Å; E278-R281 VanDerWaalsContact O-N 3.14Å; E278-R281 IonicContact OE1-NH1 3.93Å; E278-R281 PolarHBondContact OE1-NH1 3.34Å; E278-R281 VanDerWaalsContact OE2-CD 3.23Å; E278-R281 WeakPolarHBondContact OE2-CD 3.39Å; E278-R281 IonicContact OE2-CZ 2.78Å; E278-R281 IonicContact OE2-NE 2.87Å; E278-R281 IonicContact OE2-NH1 3.45Å; E278-R281 PolarHBondContact OE2-NH1 2.99Å; E278-M282 WeakPolarHBondContact O-CG 3.47Å; E278-M282 PolarHBondContact O-N 3.08Å
279L97.4Very high95.9Very high0 Ų018.2 Ų18.20%09%0.093CC..Hα-helixtrans-61.2-37.2173.8-73.1163.8000111.9V52 F70 P257 I260 L261 I271 Q275 M282 C283V52-L279 HydrophobicContact CG2-CD2 4.49Å; F70-L279 HydrophobicContact CE1-CD2 4.05Å; F70-L279 HydrophobicContact CE1-CG 4.4Å; F70-L279 HydrophobicContact CZ-CD1 4.49Å; F70-L279 HydrophobicContact CZ-CD2 3.91Å; F70-L279 HydrophobicContact CZ-CG 3.85Å; P257-L279 HydrophobicContact CB-CD2 4.3Å; I260-L279 HydrophobicContact CB-CD1 4.23Å; I260-L279 HydrophobicContact CD1-CD2 3.88Å; I260-L279 HydrophobicContact CG2-CD1 3.49Å; I260-L279 VanDerWaalsContact CG2-CD1 3.49Å; L261-L279 HydrophobicContact CD1-CB 4.38Å; L261-L279 HydrophobicContact CD2-CB 3.98Å; L261-L279 HydrophobicContact CG-CB 4.13Å; I271-L279 HydrophobicContact CD1-CD1 3.71Å; Q275-L279 VanDerWaalsContact O-CB 3.27Å; Q275-L279 WeakPolarHBondContact O-CB 3.48Å; Q275-L279 WeakPolarHBondContact O-CD1 3.18Å; Q275-L279 WeakPolarHBondContact O-CG 3.33Å; Q275-L279 PolarHBondContact O-N 3.39Å; L279-M282 HydrophobicContact CD2-SD 4.17Å; L279-M282 WeakPolarHBondContact O-CB 3.36Å; L279-M282 PolarHBondContact O-N 3.5Å; L279-C283 PolarHBondContact O-N 3.23Å; L279-C283 VanDerWaalsContact O-N 3.16Å; L279-C283 PolarHBondContact O-SG 2.98Å
280S96.4Very high96Very high2 Ų220.8 Ų20.81%0.01411%0.106CC..Hα-helixtrans-69.2-32.5176.2-176.90000112.6F276 Y277 E278 C283 P379 V380F276-S280 WeakPolarHBondContact O-CB 3.12Å; F276-S280 PolarHBondContact O-N 3.15Å; Y277-S280 PolarHBondContact O-N 3.16Å; E278-S280 VanDerWaalsContact C-N 3.27Å; E278-S280 PolarHBondContact O-N 3.02Å; S280-C283 WeakPolarHBondContact O-CB 3.3Å; S280-C283 PolarHBondContact O-N 2.66Å; S280-P379 WeakPolarHBondContact OG-CB 3.34Å; S280-V380 PolarHBondContact O-N 3.16Å; S280-V380 VanDerWaalsContact O-N 3.08Å; S280-V380 PolarHBondContact OG-N 2.71Å; S280-V380 PolarHBondContact OG-O 3.34Å
281R96.3Very high96.1Very high3 Ų318.1 Ų18.11%0.01110%0.096CC..Hα-helixtrans-63.8-43.2167.8-78.4173.6162153.94.8111.8W212 Y277 E278 C283 R284 H376 L377 P379W212-R281 HydrophobicContact CZ2-CB 4.44Å; Y277-R281 HydrophobicContact CD1-CG 4.38Å; Y277-R281 HydrophobicContact CE1-CG 4.21Å; Y277-R281 VanDerWaalsContact CE1-CZ 3.43Å; Y277-R281 PolarHBondContact O-N 2.8Å; Y277-R281 VanDerWaalsContact O-N 3.08Å; E278-R281 VanDerWaalsContact CD-NH1 3.33Å; E278-R281 WeakPolarHBondContact O-CB 3.29Å; E278-R281 PolarHBondContact O-N 3.21Å; E278-R281 VanDerWaalsContact O-N 3.14Å; E278-R281 IonicContact OE1-NH1 3.93Å; E278-R281 PolarHBondContact OE1-NH1 3.34Å; E278-R281 VanDerWaalsContact OE2-CD 3.23Å; E278-R281 WeakPolarHBondContact OE2-CD 3.39Å; E278-R281 IonicContact OE2-CZ 2.78Å; E278-R281 IonicContact OE2-NE 2.87Å; E278-R281 IonicContact OE2-NH1 3.45Å; E278-R281 PolarHBondContact OE2-NH1 2.99Å; R281-C283 PolarHBondContact O-N 2.95Å; R281-R284 VanDerWaalsContact O-CB 3.27Å; R281-R284 WeakPolarHBondContact O-CB 3.22Å; R281-R284 VanDerWaalsContact O-CG 3.31Å; R281-R284 WeakPolarHBondContact O-CG 3.33Å; R281-R284 PolarHBondContact O-N 2.91Å; R281-H376 PolarHBondContact NH1-CD2 3.25Å; R281-H376 PolarHBondContact NH1-NE2 2.86Å; R281-H376 VanDerWaalsContact NH1-NE2 3.13Å; R281-L377 PolarHBondContact NE-O 3.21Å; R281-P379 HydrophobicContact CG-CB 4.35Å
282M96.8Very high96.1Very high0 Ų020.2 Ų20.20%011%0.106CC..Hα-helixtrans-60.8-29.3179.5-65.7169.175.300112.2I15 T17 Y50 V52 M233 P257 E278 L279 R284 F285 L291I15-M282 HydrophobicContact CG2-CE 3.77Å; I15-M282 HydrophobicContact CG2-SD 3.7Å; T17-M282 HydrophobicContact CG2-CE 3.44Å; T17-M282 VanDerWaalsContact CG2-CE 3.44Å; Y50-M282 HydrophobicContact CE2-CE 4.02Å; Y50-M282 PolarHBondContact OH-O 3.27Å; V52-M282 HydrophobicContact CB-CE 4.41Å; V52-M282 HydrophobicContact CG1-CE 4.08Å; V52-M282 HydrophobicContact CG2-CE 3.39Å; V52-M282 HydrophobicContact CG2-SD 4.44Å; M233-M282 HydrophobicContact CE-CE 4.31Å; M233-M282 HydrophobicContact CE-CG 4.24Å; M233-M282 HydrophobicContact CE-SD 4.26Å; P257-M282 HydrophobicContact CB-CB 4.1Å; P257-M282 HydrophobicContact CG-CB 3.93Å; P257-M282 HydrophobicContact CG-CE 4.21Å; E278-M282 WeakPolarHBondContact O-CG 3.47Å; E278-M282 PolarHBondContact O-N 3.08Å; L279-M282 HydrophobicContact CD2-SD 4.17Å; L279-M282 WeakPolarHBondContact O-CB 3.36Å; L279-M282 PolarHBondContact O-N 3.5Å; M282-R284 PolarHBondContact O-N 2.63Å; M282-F285 PolarHBondContact O-N 2.81Å; M282-L291 HydrophobicContact CE-CD2 4.1Å
283C96.2Very high96.3Very high5 Ų522.7 Ų22.73%0.03412%0.123CC..THydrogen-bonded Turntrans-61.6-8.4173.9-670000114.5L42 P43 L279 S280 R281 F285 V380L42-C283 HydrophobicContact CD2-CB 4.17Å; P43-C283 HydrophobicContact CG-CB 4.09Å; P43-C283 WeakPolarHBondContact CG-O 3.15Å; L279-C283 PolarHBondContact O-N 3.23Å; L279-C283 VanDerWaalsContact O-N 3.16Å; L279-C283 PolarHBondContact O-SG 2.98Å; S280-C283 WeakPolarHBondContact O-CB 3.3Å; S280-C283 PolarHBondContact O-N 2.66Å; R281-C283 PolarHBondContact O-N 2.95Å; C283-F285 VanDerWaalsContact C-N 3.28Å; C283-V380 HydrophobicContact CB-CB 4.24Å; C283-V380 HydrophobicContact CB-CG2 3.7Å
284R95Very high96.4Very high36 Ų3623.6 Ų23.614%0.13613%0.125CC..THydrogen-bonded Turntrans-75.6-16170-61.9-67.4-175.1119.60.7113.3G37 R281 M282 L378 P379 V380G37-R284 PolarHBondContact O-NH1 2.98Å; G37-R284 VanDerWaalsContact O-NH1 3.1Å; R281-R284 VanDerWaalsContact O-CB 3.27Å; R281-R284 WeakPolarHBondContact O-CB 3.22Å; R281-R284 VanDerWaalsContact O-CG 3.31Å; R281-R284 WeakPolarHBondContact O-CG 3.33Å; R281-R284 PolarHBondContact O-N 2.91Å; M282-R284 PolarHBondContact O-N 2.63Å; R284-L378 VanDerWaalsContact CZ-O 3.32Å; R284-L378 PolarHBondContact NE-O 3.08Å; R284-L378 PolarHBondContact NH2-O 3.35Å; R284-P379 PolarHBondContact NH2-O 2.85Å; R284-V380 HydrophobicContact CG-CG2 4.07Å
285F95.9Very high96.5Very high34 Ų3422.2 Ų22.215%0.14912%0.116CC..  trans-128.591.9-178.7-59-65.9000110.6Y50 M282 C283 L287 N290 L291 F294 L377Y50-F285 WeakPolarHBondContact CE1-O 3.28Å; Y50-F285 PolarHBondContact OH-O 3.39Å; M282-F285 PolarHBondContact O-N 2.81Å; C283-F285 VanDerWaalsContact C-N 3.28Å; F285-L287 PolarHBondContact O-N 3.38Å; F285-N290 HydrophobicContact CD1-CB 3.98Å; F285-L291 HydrophobicContact CB-CB 3.89Å; F285-L291 HydrophobicContact CB-CD1 4.47Å; F285-L291 HydrophobicContact CD2-CB 4.42Å; F285-L291 HydrophobicContact CD2-CD1 3.78Å; F285-L291 HydrophobicContact CE2-CD1 4.47Å; F285-L291 HydrophobicContact CG-CB 4.36Å; F285-F294 HydrophobicContact CE1-CB 4.23Å; F285-F294 HydrophobicContact CE1-CG 4.45Å; F285-F294 HydrophobicContact CE2-CB 3.81Å; F285-F294 AromaticContact CE2-CD1 3.56Å; F285-F294 HydrophobicContact CE2-CD1 3.56Å; F285-F294 HydrophobicContact CE2-CD2 4.2Å; F285-F294 HydrophobicContact CE2-CE1 4.23Å; F285-F294 AromaticContact CE2-CG 3.55Å; F285-F294 HydrophobicContact CE2-CG 3.55Å; F285-F294 HydrophobicContact CZ-CB 3.56Å; F285-F294 AromaticContact CZ-CD1 3.9Å; F285-F294 HydrophobicContact CZ-CD1 3.9Å; F285-F294 AromaticContact CZ-CD2 3.67Å; F285-F294 HydrophobicContact CZ-CD2 3.67Å; F285-F294 HydrophobicContact CZ-CE2 4.39Å; F285-F294 AromaticContact CZ-CG 3.39Å; F285-F294 HydrophobicContact CZ-CG 3.39Å; F285-L377 HydrophobicContact CD2-CD1 4.13Å; F285-L377 HydrophobicContact CE2-CD1 3.07Å; F285-L377 HydrophobicContact CZ-CD1 3.41Å; F285-L377 VanDerWaalsContact CZ-CD1 3.41Å
286P95.1Very high96.4Very high21 Ų2125 Ų2514%0.13613%0.129CC..  trans-67.7-23.9173.3-2234.4000113.4P43 E47 F48 D49 Y50P43-P286 HydrophobicContact CB-CG 4.37Å; E47-P286 HydrophobicContact CB-CB 4.2Å; E47-P286 WeakPolarHBondContact O-CB 3.46Å; F48-P286 VanDerWaalsContact CA-O 3.25Å; F48-P286 WeakPolarHBondContact CA-O 3.46Å; F48-P286 HydrophobicContact CD1-CB 4.33Å; F48-P286 HydrophobicContact CE1-CB 4.5Å; F48-P286 HydrophobicContact CG-CB 4.48Å; D49-P286 PolarHBondContact N-O 2.91Å; Y50-P286 WeakPolarHBondContact CE1-O 3.26Å
287L95.9Very high96.4Very high52 Ų5230.7 Ų30.727%0.27216%0.156SC..SBendtrans-99.9130.2-178.3-54.4179.9000111.8D49 F285 D289 N290 L291D49-L287 HydrophobicContact CB-CD2 4.49Å; D49-L287 WeakPolarHBondContact OD1-CA 3.24Å; F285-L287 PolarHBondContact O-N 3.38Å; L287-D289 PolarHBondContact O-N 3.01Å; L287-N290 HydrophobicContact CB-CB 4.41Å; L287-N290 WeakPolarHBondContact O-CB 3.29Å; L287-N290 PolarHBondContact O-N 3.13Å; L287-N290 VanDerWaalsContact O-N 3.17Å; L287-L291 PolarHBondContact O-N 2.86Å; L287-L291 VanDerWaalsContact O-N 3.11Å
288L96Very high96.3Very high3 Ų331.1 Ų31.12%0.01616%0.157CC..Hα-helixtrans-58.7-45.4-175.3-176.862.7000112.1T17 D49 Y50 C235 L236 N290 L291 H292T17-L288 WeakPolarHBondContact OG1-CD1 3.15Å; D49-L288 WeakPolarHBondContact OD1-CB 2.97Å; D49-L288 PolarHBondContact OD1-N 2.83Å; D49-L288 PolarHBondContact OD2-N 2.99Å; Y50-L288 HydrophobicContact CD1-CB 3.95Å; Y50-L288 HydrophobicContact CD1-CD1 4.22Å; Y50-L288 HydrophobicContact CD2-CD1 4.45Å; Y50-L288 HydrophobicContact CG-CB 4.28Å; Y50-L288 HydrophobicContact CG-CD1 3.92Å; C235-L288 HydrophobicContact CB-CD1 3.82Å; C235-L288 HydrophobicContact CB-CG 4.45Å; L236-L288 VanDerWaalsContact O-CD2 3.28Å; L236-L288 WeakPolarHBondContact O-CD2 3.24Å; L288-N290 PolarHBondContact O-N 2.82Å; L288-L291 PolarHBondContact O-N 2.99Å; L288-L291 VanDerWaalsContact O-N 3.17Å; L288-H292 WeakPolarHBondContact O-CB 3.48Å; L288-H292 PolarHBondContact O-N 2.83Å
289D95Very high96.2Very high85 Ų8531.7 Ų31.746%0.45516%0.162SC..Hα-helixtrans-64-32.4-178.2-77.6-16000112Q237 L287 S293Q237-D289 PolarHBondContact NE2-OD1 2.89Å; L287-D289 PolarHBondContact O-N 3.01Å; D289-S293 WeakPolarHBondContact O-CB 3.22Å; D289-S293 PolarHBondContact O-N 3.03Å; D289-S293 PolarHBondContact O-OG 3.29Å
290N96.3Very high96.2Very high62 Ų6232.1 Ų32.133%0.33217%0.165SC..Hα-helixtrans-71.1-44.3174.5-69.6-19.2000111F285 L287 L288 S293 F294F285-N290 HydrophobicContact CD1-CB 3.98Å; L287-N290 HydrophobicContact CB-CB 4.41Å; L287-N290 WeakPolarHBondContact O-CB 3.29Å; L287-N290 PolarHBondContact O-N 3.13Å; L287-N290 VanDerWaalsContact O-N 3.17Å; L288-N290 PolarHBondContact O-N 2.82Å; N290-S293 PolarHBondContact O-N 3.36Å; N290-F294 VanDerWaalsContact O-CB 3.28Å; N290-F294 WeakPolarHBondContact O-CB 3.13Å; N290-F294 PolarHBondContact O-N 2.74Å
291L97.6Very high96.2Very high0 Ų033.8 Ų33.80%017%0.172CC..Hα-helixtrans-59.8-47.4174.9176.463.1000111T17 Y50 W212 M233 M282 F285 L287 L288 F294 A295T17-L291 HydrophobicContact CG2-CD2 3.95Å; Y50-L291 HydrophobicContact CE1-CD2 4.31Å; Y50-L291 HydrophobicContact CE2-CD2 3.95Å; W212-L291 HydrophobicContact CH2-CD1 4.25Å; M233-L291 HydrophobicContact CE-CD1 4.3Å; M233-L291 HydrophobicContact SD-CD2 4.22Å; M282-L291 HydrophobicContact CE-CD2 4.1Å; F285-L291 HydrophobicContact CB-CB 3.89Å; F285-L291 HydrophobicContact CB-CD1 4.47Å; F285-L291 HydrophobicContact CD2-CB 4.42Å; F285-L291 HydrophobicContact CD2-CD1 3.78Å; F285-L291 HydrophobicContact CE2-CD1 4.47Å; F285-L291 HydrophobicContact CG-CB 4.36Å; L287-L291 PolarHBondContact O-N 2.86Å; L287-L291 VanDerWaalsContact O-N 3.11Å; L288-L291 PolarHBondContact O-N 2.99Å; L288-L291 VanDerWaalsContact O-N 3.17Å; L291-F294 PolarHBondContact O-N 2.86Å; L291-A295 VanDerWaalsContact O-CB 3.31Å; L291-A295 WeakPolarHBondContact O-CB 3.5Å; L291-A295 PolarHBondContact O-N 3.45Å
292H96.6Very high96.2Very high47 Ų4733.6 Ų33.622%0.21817%0.172CC..Hα-helixtrans-62.4-49.5179.2178.3-145.8000111.3H210 C235 L288 F294 A295 H296H210-H292 AromaticContact NE2-CD2 3.63Å; H210-H292 AromaticContact NE2-NE2 3.56Å; C235-H292 HydrophobicContact CB-CB 3.69Å; L288-H292 WeakPolarHBondContact O-CB 3.48Å; L288-H292 PolarHBondContact O-N 2.83Å; H292-F294 VanDerWaalsContact C-N 3.31Å; H292-F294 PolarHBondContact O-N 2.94Å; H292-A295 PolarHBondContact O-N 3.11Å; H292-H296 VanDerWaalsContact O-CB 3.24Å; H292-H296 WeakPolarHBondContact O-CB 3.49Å; H292-H296 PolarHBondContact O-N 2.97Å
293S96.4Very high96.1Very high58 Ų5833.8 Ų33.841%0.40617%0.173SC..Hα-helixtrans-58.6-44.3177.8-64.10000111.6D289 N290 Q297D289-S293 WeakPolarHBondContact O-CB 3.22Å; D289-S293 PolarHBondContact O-N 3.03Å; D289-S293 PolarHBondContact O-OG 3.29Å; N290-S293 PolarHBondContact O-N 3.36Å; S293-Q297 WeakPolarHBondContact O-CB 3.08Å; S293-Q297 VanDerWaalsContact O-CG 3.26Å; S293-Q297 WeakPolarHBondContact O-CG 3.3Å; S293-Q297 PolarHBondContact O-N 3.39Å
294F97.5Very high96Very high36 Ų3635 Ų3516%0.15818%0.179CC..Hα-helixtrans-62.4-52.4176175.9-94.9000111.6W212 F285 N290 L291 H292 H296 Q297 R298 L377W212-F294 AromaticContact CH2-CD1 3.97Å; W212-F294 HydrophobicContact CH2-CD1 3.97Å; W212-F294 AromaticContact CH2-CE1 3.8Å; W212-F294 HydrophobicContact CH2-CE1 3.8Å; W212-F294 AromaticContact CZ3-CD1 3.82Å; W212-F294 HydrophobicContact CZ3-CD1 3.82Å; W212-F294 AromaticContact CZ3-CE1 3.74Å; W212-F294 HydrophobicContact CZ3-CE1 3.74Å; F285-F294 HydrophobicContact CE1-CB 4.23Å; F285-F294 HydrophobicContact CE1-CG 4.45Å; F285-F294 HydrophobicContact CE2-CB 3.81Å; F285-F294 AromaticContact CE2-CD1 3.56Å; F285-F294 HydrophobicContact CE2-CD1 3.56Å; F285-F294 HydrophobicContact CE2-CD2 4.2Å; F285-F294 HydrophobicContact CE2-CE1 4.23Å; F285-F294 AromaticContact CE2-CG 3.55Å; F285-F294 HydrophobicContact CE2-CG 3.55Å; F285-F294 HydrophobicContact CZ-CB 3.56Å; F285-F294 AromaticContact CZ-CD1 3.9Å; F285-F294 HydrophobicContact CZ-CD1 3.9Å; F285-F294 AromaticContact CZ-CD2 3.67Å; F285-F294 HydrophobicContact CZ-CD2 3.67Å; F285-F294 HydrophobicContact CZ-CE2 4.39Å; F285-F294 AromaticContact CZ-CG 3.39Å; F285-F294 HydrophobicContact CZ-CG 3.39Å; N290-F294 VanDerWaalsContact O-CB 3.28Å; N290-F294 WeakPolarHBondContact O-CB 3.13Å; N290-F294 PolarHBondContact O-N 2.74Å; L291-F294 PolarHBondContact O-N 2.86Å; H292-F294 VanDerWaalsContact C-N 3.31Å; H292-F294 PolarHBondContact O-N 2.94Å; F294-H296 VanDerWaalsContact C-N 3.31Å; F294-H296 PolarHBondContact O-N 3.3Å; F294-Q297 PolarHBondContact O-N 3.18Å; F294-R298 HydrophobicContact CE1-CB 4.08Å; F294-R298 HydrophobicContact CE1-CG 4.13Å; F294-R298 HydrophobicContact CE2-CB 4.3Å; F294-R298 HydrophobicContact CZ-CB 3.94Å; F294-R298 HydrophobicContact CZ-CG 3.85Å; F294-R298 WeakPolarHBondContact O-CB 3.36Å; F294-R298 PolarHBondContact O-N 2.96Å; F294-L377 HydrophobicContact CD1-CD1 3.92Å; F294-L377 HydrophobicContact CD2-CD1 4.28Å; F294-L377 HydrophobicContact CE1-CD1 3.48Å; F294-L377 VanDerWaalsContact CE1-CD1 3.48Å; F294-L377 HydrophobicContact CE1-CG 3.97Å; F294-L377 HydrophobicContact CE2-CD1 3.86Å; F294-L377 HydrophobicContact CE2-CD2 4.13Å; F294-L377 HydrophobicContact CE2-CG 3.88Å; F294-L377 HydrophobicContact CG-CD1 4.32Å; F294-L377 HydrophobicContact CZ-CD1 3.46Å; F294-L377 VanDerWaalsContact CZ-CD1 3.46Å; F294-L377 HydrophobicContact CZ-CD2 4.21Å; F294-L377 HydrophobicContact CZ-CG 3.46Å; F294-L377 VanDerWaalsContact CZ-CG 3.46Å
295A97.3Very high96Very high0 Ų035.6 Ų35.60%018%0.183CC..Hα-helixtrans-58.7-43.9-179.700000111.5H210 W212 M233 L291 H292 A299H210-A295 HydrophobicContact CB-CB 4.14Å; W212-A295 HydrophobicContact CE3-CB 4.22Å; W212-A295 HydrophobicContact CZ3-CB 3.97Å; M233-A295 HydrophobicContact CB-CB 4.15Å; M233-A295 HydrophobicContact CG-CB 3.86Å; L291-A295 VanDerWaalsContact O-CB 3.31Å; L291-A295 WeakPolarHBondContact O-CB 3.5Å; L291-A295 PolarHBondContact O-N 3.45Å; H292-A295 PolarHBondContact O-N 3.11Å; A295-A299 VanDerWaalsContact O-CB 3.26Å; A295-A299 WeakPolarHBondContact O-CB 3.27Å; A295-A299 PolarHBondContact O-N 2.76Å
296H95.3Very high96Very high70 Ų7035.6 Ų35.632%0.32418%0.183SC..Hα-helixtrans-60-48.4177-177.685.8000112.2R100 H210 H292 F294R100-H296 PolarHBondContact NH1-CD2 2.91Å; R100-H296 VanDerWaalsContact NH1-CD2 3.27Å; R100-H296 PolarHBondContact NH1-NE2 3.21Å; R100-H296 PolarHBondContact NH1-O 3.19Å; H210-H296 AromaticContact CE1-ND1 3.31Å; H210-H296 PolarHBondContact CE1-ND1 3.08Å; H210-H296 VanDerWaalsContact CE1-ND1 3.31Å; H210-H296 AromaticContact NE2-ND1 3.72Å; H292-H296 VanDerWaalsContact O-CB 3.24Å; H292-H296 WeakPolarHBondContact O-CB 3.49Å; H292-H296 PolarHBondContact O-N 2.97Å; F294-H296 VanDerWaalsContact C-N 3.31Å; F294-H296 PolarHBondContact O-N 3.3Å
297Q95.4Very high96Very high131 Ų13135.3 Ų35.361%0.61218%0.179SC*.Hα-helixtrans-67.8-49.8-179.5-70.5173.511.600111.2S293 F294 A299 T300S293-Q297 WeakPolarHBondContact O-CB 3.08Å; S293-Q297 VanDerWaalsContact O-CG 3.26Å; S293-Q297 WeakPolarHBondContact O-CG 3.3Å; S293-Q297 PolarHBondContact O-N 3.39Å; F294-Q297 PolarHBondContact O-N 3.18Å; Q297-A299 VanDerWaalsContact C-N 3.33Å; Q297-A299 PolarHBondContact O-N 3.07Å; Q297-T300 PolarHBondContact O-N 3.18Å; Q297-T300 PolarHBondContact O-OG1 2.91Å; Q297-T300 VanDerWaalsContact O-OG1 3.07Å
298R96.1Very high95.9Very high8 Ų833.3 Ų33.33%0.0317%0.17CC..Hα-helixtrans-67-28.7-175.4-178.6-93.7175.9-128.6-14.6113.3E211 W212 F294 T300 E301 G302E211-R298 PolarHBondContact O-NH1 2.7Å; W212-R298 PolarHBondContact O-NH1 3.08Å; F294-R298 HydrophobicContact CE1-CB 4.08Å; F294-R298 HydrophobicContact CE1-CG 4.13Å; F294-R298 HydrophobicContact CE2-CB 4.3Å; F294-R298 HydrophobicContact CZ-CB 3.94Å; F294-R298 HydrophobicContact CZ-CG 3.85Å; F294-R298 WeakPolarHBondContact O-CB 3.36Å; F294-R298 PolarHBondContact O-N 2.96Å; R298-T300 PolarHBondContact O-N 2.94Å; R298-E301 WeakPolarHBondContact O-CB 3.35Å; R298-E301 PolarHBondContact O-N 2.85Å; R298-G302 PolarHBondContact NH1-O 3.3Å; R298-G302 PolarHBondContact NH2-O 3.19Å
299A96.4Very high95.7Very high12 Ų1233.8 Ų33.810%0.09917%0.173CC..THydrogen-bonded Turntrans-54.8-24.3-179.900000114H210 E211 A295 Q297 E301H210-A299 HydrophobicContact CB-CB 3.94Å; E211-A299 HydrophobicContact CB-CB 4.38Å; A295-A299 VanDerWaalsContact O-CB 3.26Å; A295-A299 WeakPolarHBondContact O-CB 3.27Å; A295-A299 PolarHBondContact O-N 2.76Å; Q297-A299 VanDerWaalsContact C-N 3.33Å; Q297-A299 PolarHBondContact O-N 3.07Å; A299-E301 VanDerWaalsContact C-N 3.33Å
300T95.8Very high95.4Very high10 Ų1031 Ų316%0.06116%0.157CC..THydrogen-bonded Turntrans-83.1-4.517658.40000114.8R100 V102 K103 Q297 R298R100-T300 HydrophobicContact CB-CG2 3.77Å; R100-T300 PolarHBondContact NH2-OG1 2.86Å; V102-T300 CarbonylContact C-O 3.49Å; V102-T300 VanDerWaalsContact CA-O 3.27Å; V102-T300 WeakPolarHBondContact CA-O 3.39Å; V102-T300 WeakPolarHBondContact CB-O 3.28Å; K103-T300 WeakPolarHBondContact CB-O 3.25Å; K103-T300 WeakPolarHBondContact CG-O 3.43Å; K103-T300 PolarHBondContact N-O 2.84Å; Q297-T300 PolarHBondContact O-N 3.18Å; Q297-T300 PolarHBondContact O-OG1 2.91Å; Q297-T300 VanDerWaalsContact O-OG1 3.07Å; R298-T300 PolarHBondContact O-N 2.94Å
301E97.5Very high95.1Very high36 Ų3628.7 Ų28.717%0.16815%0.145CC..SBendtrans-83.1-20.5178.1-59.2-61.8148.100112.6K103 R298 A299 Y374 N375K103-E301 IonicContact NZ-OE1 2.97Å; K103-E301 PolarHBondContact NZ-OE1 3.32Å; R298-E301 WeakPolarHBondContact O-CB 3.35Å; R298-E301 PolarHBondContact O-N 2.85Å; A299-E301 VanDerWaalsContact C-N 3.33Å; E301-Y374 WeakPolarHBondContact CB-O 3.21Å; E301-Y374 VanDerWaalsContact O-CD1 3.24Å; E301-Y374 WeakPolarHBondContact O-CD1 3.37Å; E301-N375 HydrophobicContact CG-CB 4.3Å; E301-N375 PolarHBondContact OE2-ND2 3.1Å
302G95.4Very high94.5Very high0 Ų031.8 Ų31.80%016%0.162CC..  trans83.6-172.5-17500000113.1V102 E211 R298 Y374V102-G302 VanDerWaalsContact CG1-CA 3.45Å; E211-G302 VanDerWaalsContact OE1-C 3.31Å; E211-G302 VanDerWaalsContact OE1-CA 3.29Å; E211-G302 WeakPolarHBondContact OE1-CA 3.47Å; R298-G302 PolarHBondContact NH1-O 3.3Å; R298-G302 PolarHBondContact NH2-O 3.19Å; G302-Y374 WeakPolarHBondContact O-CB 3.36Å
303C95.8Very high93.9Very high4 Ų430.7 Ų30.73%0.02716%0.157CC..  trans-149.7163.7175.959.80000112Q104 P110 E211Q104-C303 PolarHBondContact NE2-O 3.44Å; Q104-C303 PolarHBondContact OE1-O 3.48Å; P110-C303 WeakPolarHBondContact CD-O 3.5Å; P110-C303 WeakPolarHBondContact CG-O 3.39Å; E211-C303 PolarHBondContact OE1-N 2.78Å; E211-C303 PolarHBondContact OE1-SG 2.97Å
304D94.7Very high93.3Very high31 Ų3133.4 Ų33.417%0.16617%0.167CC..  trans-88.8152166.9-81.1-13.8000109.1W306 K373 Y374D304-W306 PolarHBondContact O-N 3.44Å; D304-K373 VanDerWaalsContact OD2-CD 3.27Å; D304-K373 WeakPolarHBondContact OD2-CD 3.22Å; D304-K373 IonicContact OD2-NZ 2.98Å; D304-K373 PolarHBondContact OD2-NZ 3.29Å; D304-Y374 HydrophobicContact CB-CE2 4.14Å; D304-Y374 VanDerWaalsContact CG-CE2 3.46Å; D304-Y374 WeakPolarHBondContact OD1-CE2 3.23Å; D304-Y374 VanDerWaalsContact OD1-CZ 3.28Å; D304-Y374 PolarHBondContact OD1-OH 2.94Å
305Q95Very high92.5Very high48 Ų4840.1 Ų40.122%0.22420%0.198CC..EExtended strand (participates in β ladder)trans-73.9116.6164.3-179.6172.573.800109P110 N214 L216 D228P110-Q305 HydrophobicContact CB-CB 4.13Å; P110-Q305 HydrophobicContact CG-CB 4.48Å; N214-Q305 WeakPolarHBondContact OD1-CA 3.42Å; N214-Q305 VanDerWaalsContact OD1-CB 3.25Å; N214-Q305 WeakPolarHBondContact OD1-CB 3.21Å; N214-Q305 VanDerWaalsContact OD1-CG 3.28Å; N214-Q305 WeakPolarHBondContact OD1-CG 3.13Å; N214-Q305 PolarHBondContact OD1-NE2 2.77Å; L216-Q305 HydrophobicContact CB-CG 3.95Å; D228-Q305 PolarHBondContact OD1-NE2 3.07Å; D228-Q305 PolarHBondContact OD2-NE2 2.75Å
306W95.4Very high92.1Very high34 Ų3443.4 Ų43.413%0.12921%0.214CC..EExtended strand (participates in β ladder)trans-96.9111.9177.9-72.711.1000110.4N214 W215 L216 Y277 D304 L321 P322 H354N214-W306 PolarHBondContact O-N 3.46Å; W215-W306 CarbonylContact C-O 3.52Å; W215-W306 WeakPolarHBondContact CA-O 3.41Å; W215-W306 HydrophobicContact CD2-CB 4.29Å; W215-W306 HydrophobicContact CE3-CB 4.07Å; W215-W306 AromaticContact CH2-CE3 3.57Å; W215-W306 HydrophobicContact CH2-CE3 3.57Å; W215-W306 HydrophobicContact CH2-CZ3 4.07Å; W215-W306 AromaticContact CZ2-CE3 3.53Å; W215-W306 HydrophobicContact CZ2-CE3 3.53Å; W215-W306 AromaticContact CZ2-CZ3 3.94Å; W215-W306 HydrophobicContact CZ2-CZ3 3.94Å; W215-W306 HydrophobicContact CZ3-CB 4.36Å; W215-W306 HydrophobicContact CZ3-CE3 4.15Å; L216-W306 PolarHBondContact N-O 2.99Å; Y277-W306 HydrophobicContact CD1-CZ3 4.28Å; Y277-W306 HydrophobicContact CE1-CH2 4.11Å; Y277-W306 AromaticContact CE1-CZ3 3.71Å; Y277-W306 HydrophobicContact CE1-CZ3 3.71Å; Y277-W306 HydrophobicContact CE2-CZ3 4.12Å; Y277-W306 AromaticContact CZ-CH2 3.91Å; Y277-W306 AromaticContact CZ-CZ3 3.59Å; Y277-W306 WeakPolarHBondContact OH-CH2 3.41Å; D304-W306 PolarHBondContact O-N 3.44Å; W306-L321 HydrophobicContact CZ3-CD1 4.43Å; W306-P322 HydrophobicContact CB-CG 4.48Å; W306-P322 HydrophobicContact CG-CG 4.22Å; W306-H354 AromaticContact CH2-CE1 3.22Å; W306-H354 WeakPolarHBondContact CH2-CE1 3.32Å; W306-H354 AromaticContact CH2-NE2 3.49Å; W306-H354 WeakPolarHBondContact CH2-NE2 3.43Å; W306-H354 AromaticContact CZ2-CE1 3.56Å; W306-H354 AromaticContact CZ3-CE1 3.63Å; W306-H354 AromaticContact CZ3-NE2 3.71Å
307M94.3Very high91.8Very high14 Ų1444 Ų447%0.06922%0.216CC..  trans-111111171.5-172.7173.167.700109.3L216 R226 Y327 P331L216-M307 HydrophobicContact CB-CB 4Å; L216-M307 HydrophobicContact CB-CG 4.18Å; L216-M307 HydrophobicContact CD2-CB 4.24Å; L216-M307 HydrophobicContact CD2-CG 4.13Å; L216-M307 HydrophobicContact CD2-SD 3.5Å; L216-M307 VanDerWaalsContact CD2-SD 3.5Å; L216-M307 HydrophobicContact CG-CB 4.25Å; L216-M307 HydrophobicContact CG-CG 3.97Å; L216-M307 HydrophobicContact CG-SD 3.83Å; L216-M307 WeakPolarHBondContact O-CA 3.41Å; R226-M307 PolarHBondContact NH2-SD 3.02Å; M307-Y327 WeakPolarHBondContact O-CE2 3.44Å; M307-Y327 PolarHBondContact O-OH 3.5Å; M307-P331 HydrophobicContact CE-CB 3.43Å; M307-P331 VanDerWaalsContact CE-CB 3.43Å; M307-P331 HydrophobicContact CE-CG 3.55Å; M307-P331 WeakPolarHBondContact CE-O 3.26Å
308P93.9Very high91.7Very high11 Ų1138.1 Ų38.17%0.07119%0.189CC..  trans-64.5144.8177.8-21.633.4000112.5W215 L216 P218 I310 S319 L320 L321W215-P308 HydrophobicContact CE3-CG 4.19Å; W215-P308 HydrophobicContact CZ3-CG 4Å; L216-P308 VanDerWaalsContact O-CD 3.25Å; L216-P308 WeakPolarHBondContact O-CD 3.3Å; P218-P308 VanDerWaalsContact CB-O 3.31Å; P218-P308 WeakPolarHBondContact CB-O 3.23Å; P308-I310 HydrophobicContact CB-CD1 4.17Å; P308-S319 WeakPolarHBondContact CB-OG 3.27Å; P308-L320 WeakPolarHBondContact CA-O 3.36Å; P308-L321 HydrophobicContact CB-CD2 4.08Å; P308-L321 HydrophobicContact CG-CD2 3.92Å
309V91.6Very high91.6Very high13 Ų1337.8 Ų37.88%0.07919%0.188CC..EExtended strand (participates in β ladder)trans-108.5122166.5176.60000107.8L320 Y327 P328 P331 T335V309-L320 HydrophobicContact CB-CB 4.37Å; V309-L320 PolarHBondContact N-O 3.37Å; V309-L320 PolarHBondContact O-N 2.6Å; V309-Y327 HydrophobicContact CB-CE2 4.47Å; V309-Y327 HydrophobicContact CG2-CD2 4.32Å; V309-Y327 HydrophobicContact CG2-CE2 3.85Å; V309-P328 HydrophobicContact CB-CG 4.45Å; V309-P328 HydrophobicContact CG1-CG 4.21Å; V309-P328 HydrophobicContact CG2-CG 3.79Å; V309-P331 HydrophobicContact CG2-CB 3.64Å; V309-T335 HydrophobicContact CG1-CG2 4.4Å
310I90Very high91.5Very high26 Ų2637.4 Ų37.413%0.13319%0.185CC..EExtended strand (participates in β ladder)trans-95.7121.8-174.1-51.4-57.6000108.9P218 K221 P308 I318P218-I310 HydrophobicContact CB-CG1 4.02Å; P218-I310 HydrophobicContact CG-CD1 4.5Å; P218-I310 HydrophobicContact CG-CG1 4.19Å; K221-I310 HydrophobicContact CB-CG1 4.33Å; K221-I310 HydrophobicContact CD-CD1 4.37Å; K221-I310 HydrophobicContact CD-CG1 4.14Å; K221-I310 HydrophobicContact CD-CG2 4.3Å; P308-I310 HydrophobicContact CB-CD1 4.17Å; I310-I318 CarbonylContact C-O 3.5Å; I310-I318 WeakPolarHBondContact CA-O 3.27Å
311V88.6Confident91.4Very high13 Ų1336.9 Ų36.98%0.07918%0.182CC..EExtended strand (participates in β ladder)trans-115.5146.1173.3-175.70000108.8I318 L320 L344V311-I318 PolarHBondContact N-O 2.86Å; V311-I318 PolarHBondContact O-N 3.28Å; V311-L320 HydrophobicContact CG2-CD1 3.73Å; V311-L320 HydrophobicContact CG2-CG 4.29Å; V311-L344 HydrophobicContact CB-CD1 4.48Å; V311-L344 HydrophobicContact CG1-CD1 3.88Å; V311-L344 HydrophobicContact CG1-CG 4.44Å
312L86.4Confident91.3Very high66 Ų6636.4 Ų36.435%0.34618%0.182SC..EExtended strand (participates in β ladder)trans-106.6125.5171-175.568.8000108.5
313Q83.4Confident91.2Very high23 Ų2338.7 Ų38.711%0.10721%0.205CC..EExtended strand (participates in β ladder)trans-145.4129.6176.9175.9177.78.100108.7Q315 Q316 I318 L344Q313-Q315 PolarHBondContact O-N 3.43Å; Q313-Q315 VanDerWaalsContact O-N 3.15Å; Q313-Q316 PolarHBondContact N-O 2.89Å; Q313-Q316 WeakPolarHBondContact O-CA 3.25Å; Q313-Q316 WeakPolarHBondContact O-CB 3.36Å; Q313-Q316 PolarHBondContact O-N 2.7Å; Q313-I318 HydrophobicContact CB-CD1 3.98Å; Q313-L344 PolarHBondContact NE2-O 3.45Å; Q313-L344 VanDerWaalsContact OE1-CD1 3.31Å
314D82.7Confident91.1Very high115 Ų11538.8 Ų38.862%0.61521%0.205SC*.THydrogen-bonded Turntrans52.140.5175.2-59.1-46.6000113Q316 D341D314-Q316 PolarHBondContact O-N 2.78Å; D314-D341 PolarHBondContact N-OD1 2.63Å
315Q82.6Confident91Very high177 Ų17743.5 Ų43.583%0.82722%0.224SC*.THydrogen-bonded Turntrans62.510.7-174-53.5-173.962.800115.8Q313Q313-Q315 PolarHBondContact O-N 3.43Å; Q313-Q315 VanDerWaalsContact O-N 3.15Å
316Q87Confident90.8Very high70 Ų7044.3 Ų44.333%0.32723%0.23SC..EExtended strand (participates in β ladder)trans-101.6138174.1-56.3-170.4-25.100110.9Q313 D314 V357 S359Q313-Q316 PolarHBondContact N-O 2.89Å; Q313-Q316 WeakPolarHBondContact O-CA 3.25Å; Q313-Q316 WeakPolarHBondContact O-CB 3.36Å; Q313-Q316 PolarHBondContact O-N 2.7Å; D314-Q316 PolarHBondContact O-N 2.78Å; Q316-V357 HydrophobicContact CB-CG1 4.32Å; Q316-S359 PolarHBondContact NE2-OG 2.93Å; Q316-S359 VanDerWaalsContact NE2-OG 3.08Å
317H90.1Very high90.6Very high81 Ų8144.9 Ų44.938%0.37523%0.232SC..EExtended strand (participates in β ladder)trans-85.3116.4169.5-72.6-72.7000109.3M358H317-M358 HydrophobicContact CB-CB 4.26Å; H317-M358 HydrophobicContact CB-CE 3.96Å; H317-M358 PolarHBondContact N-O 3.12Å; H317-M358 WeakPolarHBondContact O-CB 3.32Å; H317-M358 VanDerWaalsContact O-CE 3.3Å; H317-M358 WeakPolarHBondContact O-CE 3.34Å; H317-M358 PolarHBondContact O-N 2.88Å
318I92.4Very high90.3Very high8 Ų845.9 Ų45.94%0.04124%0.24CC..EExtended strand (participates in β ladder)trans-101121.4174.9-56.6178.1000108.1I310 V311 Q313 L320 L344 R355 V357I310-I318 CarbonylContact C-O 3.5Å; I310-I318 WeakPolarHBondContact CA-O 3.27Å; V311-I318 PolarHBondContact N-O 2.86Å; V311-I318 PolarHBondContact O-N 3.28Å; Q313-I318 HydrophobicContact CB-CD1 3.98Å; I318-L320 HydrophobicContact CG2-CD2 3.69Å; I318-L320 HydrophobicContact CG2-CG 4.3Å; I318-L344 HydrophobicContact CD1-CD1 4.33Å; I318-R355 HydrophobicContact CG2-CB 4.11Å; I318-R355 HydrophobicContact CG2-CG 4.34Å; I318-V357 HydrophobicContact CG1-CG2 4.46Å
319S93.8Very high89.9Confident2 Ų250.9 Ų50.91%0.01428%0.282CS..EExtended strand (participates in β ladder)trans-101.196.8174.4168.80000108.8P308 R355 M356P308-S319 WeakPolarHBondContact CB-OG 3.27Å; S319-R355 VanDerWaalsContact O-CA 3.27Å; S319-R355 WeakPolarHBondContact O-CA 3.46Å; S319-M356 PolarHBondContact N-O 2.9Å; S319-M356 PolarHBondContact O-N 2.72Å; S319-M356 VanDerWaalsContact OG-CE 3.28Å; S319-M356 WeakPolarHBondContact OG-CE 3.42Å
320L94.6Very high89.5Confident3 Ų353.1 Ų53.12%0.01629%0.293CS..EExtended strand (participates in β ladder)trans-72.3132.6175.2-54.8176000109.5P308 V309 V311 I318 L326 Y327 R355P308-L320 WeakPolarHBondContact CA-O 3.36Å; V309-L320 HydrophobicContact CB-CB 4.37Å; V309-L320 PolarHBondContact N-O 3.37Å; V309-L320 PolarHBondContact O-N 2.6Å; V311-L320 HydrophobicContact CG2-CD1 3.73Å; V311-L320 HydrophobicContact CG2-CG 4.29Å; I318-L320 HydrophobicContact CG2-CD2 3.69Å; I318-L320 HydrophobicContact CG2-CG 4.3Å; L320-L326 HydrophobicContact CD1-CB 3.83Å; L320-L326 WeakPolarHBondContact CD1-O 3.48Å; L320-L326 HydrophobicContact CD2-CB 4.28Å; L320-Y327 HydrophobicContact CB-CD2 4.18Å; L320-R355 HydrophobicContact CD2-CB 4.03Å
321L95.3Very high89Confident0 Ų053.3 Ų53.30%030%0.296CS..  trans-113.5160178.9-57.4172.8000110.2W215 Y277 W306 P308 G323 D324 Y327 H354 M356W215-L321 HydrophobicContact CH2-CD1 4.33Å; W215-L321 HydrophobicContact CH2-CD2 4.09Å; W215-L321 HydrophobicContact CZ3-CD2 3.72Å; Y277-L321 HydrophobicContact CD2-CD1 3.95Å; Y277-L321 HydrophobicContact CE2-CD1 3.56Å; W306-L321 HydrophobicContact CZ3-CD1 4.43Å; P308-L321 HydrophobicContact CB-CD2 4.08Å; P308-L321 HydrophobicContact CG-CD2 3.92Å; L321-G323 PolarHBondContact O-N 3.12Å; L321-D324 VanDerWaalsContact O-CB 3.25Å; L321-D324 WeakPolarHBondContact O-CB 3.23Å; L321-D324 PolarHBondContact O-N 3.41Å; L321-D324 VanDerWaalsContact O-N 3.08Å; L321-Y327 VanDerWaalsContact O-CD2 3.29Å; L321-Y327 WeakPolarHBondContact O-CD2 3.46Å; L321-H354 WeakPolarHBondContact CA-O 3.3Å; L321-H354 HydrophobicContact CB-CB 4.4Å; L321-H354 VanDerWaalsContact CB-O 3.23Å; L321-H354 WeakPolarHBondContact CB-O 3.48Å; L321-H354 WeakPolarHBondContact CD1-NE2 3.42Å; L321-H354 PolarHBondContact N-O 2.8Å; L321-M356 HydrophobicContact CD1-CE 4.34Å; L321-M356 HydrophobicContact CD2-CE 4.21Å
322P94.1Very high88.4Confident26 Ų2655.6 Ų55.617%0.16931%0.313CS..THydrogen-bonded Turntrans-52.5133.8179.6-28.134.9000112.9W306 Y327 H354W306-P322 HydrophobicContact CB-CG 4.48Å; W306-P322 HydrophobicContact CG-CG 4.22Å; P322-Y327 HydrophobicContact CB-CE1 4.5Å; P322-Y327 HydrophobicContact CG-CE1 4.35Å; P322-Y327 HydrophobicContact CG-CE2 4.12Å; P322-H354 PolarHBondContact O-ND1 3.08Å
323G92.7Very high87.5Confident48 Ų4858.9 Ų58.950%0.49533%0.325SS..THydrogen-bonded Turntrans96.2-15.5-176.200000114L321 V370L321-G323 PolarHBondContact O-N 3.12Å; G323-V370 WeakPolarHBondContact O-CG1 3.31Å
324D94.1Very high86.3Confident6 Ų662.2 Ų62.23%0.03235%0.348CS..  trans-64.9138.7170.4-167.5-72.9000111.1L321 L326 Y327 H354 R355L321-D324 VanDerWaalsContact O-CB 3.25Å; L321-D324 WeakPolarHBondContact O-CB 3.23Å; L321-D324 PolarHBondContact O-N 3.41Å; L321-D324 VanDerWaalsContact O-N 3.08Å; D324-L326 PolarHBondContact O-N 3.07Å; D324-L326 VanDerWaalsContact O-N 3.12Å; D324-L326 PolarHBondContact OD1-N 2.98Å; D324-Y327 WeakPolarHBondContact O-CB 3.45Å; D324-Y327 PolarHBondContact O-N 3.24Å; D324-H354 HydrophobicContact CB-CB 4.07Å; D324-H354 PolarHBondContact OD2-N 3.13Å; D324-R355 VanDerWaalsContact CG-NH2 3.29Å; D324-R355 IonicContact OD1-CZ 3.71Å; D324-R355 IonicContact OD1-NE 3.39Å; D324-R355 IonicContact OD1-NH2 3.11Å; D324-R355 PolarHBondContact OD1-NH2 3.14Å; D324-R355 IonicContact OD2-CZ 3.95Å; D324-R355 IonicContact OD2-NE 2.76Å; D324-R355 PolarHBondContact OD2-NE 3.35Å; D324-R355 IonicContact OD2-NH2 2.63Å; D324-R355 PolarHBondContact OD2-NH2 2.68Å; D324-R355 VanDerWaalsContact OD2-NH2 3.14Å
325K92.4Very high84.9Confident130 Ų13058.9 Ų58.957%0.56533%0.332SS*.THydrogen-bonded Turntrans-52.6-33.2178.7179.3177.8176.9-176.10113.2D352K325-D352 WeakPolarHBondContact CB-O 3.18Å; K325-D352 PolarHBondContact N-O 2.93Å
326L90.9Very high83.1Confident64 Ų6460.5 Ų60.534%0.33534%0.336SS..THydrogen-bonded Turntrans-93.5-0.7-179.7-59.9178.5000112.9L320 D324 L344L320-L326 HydrophobicContact CD1-CB 3.83Å; L320-L326 WeakPolarHBondContact CD1-O 3.48Å; L320-L326 HydrophobicContact CD2-CB 4.28Å; D324-L326 PolarHBondContact O-N 3.07Å; D324-L326 VanDerWaalsContact O-N 3.12Å; D324-L326 PolarHBondContact OD1-N 2.98Å; L326-L344 HydrophobicContact CD1-CB 4.11Å; L326-L344 HydrophobicContact CD1-CD1 3.77Å; L326-L344 HydrophobicContact CD1-CD2 3.89Å; L326-L344 HydrophobicContact CD1-CG 4.14Å
327Y91.6Very high81.1Confident47 Ų4760.6 Ų60.618%0.18434%0.339CS..  trans-66.7123.6177.4-165.8-93.2000109.9M307 V309 L320 L321 P322 D324 P331M307-Y327 WeakPolarHBondContact O-CE2 3.44Å; M307-Y327 PolarHBondContact O-OH 3.5Å; V309-Y327 HydrophobicContact CB-CE2 4.47Å; V309-Y327 HydrophobicContact CG2-CD2 4.32Å; V309-Y327 HydrophobicContact CG2-CE2 3.85Å; L320-Y327 HydrophobicContact CB-CD2 4.18Å; L321-Y327 VanDerWaalsContact O-CD2 3.29Å; L321-Y327 WeakPolarHBondContact O-CD2 3.46Å; P322-Y327 HydrophobicContact CB-CE1 4.5Å; P322-Y327 HydrophobicContact CG-CE1 4.35Å; P322-Y327 HydrophobicContact CG-CE2 4.12Å; D324-Y327 WeakPolarHBondContact O-CB 3.45Å; D324-Y327 PolarHBondContact O-N 3.24Å; Y327-P331 HydrophobicContact CE1-CB 3.94Å; Y327-P331 HydrophobicContact CE1-CG 3.99Å; Y327-P331 WeakPolarHBondContact OH-CB 3.47Å
328P88.8Confident79.1Confident35 Ų3559.9 Ų59.923%0.22734%0.338CS..  trans-70.3149.7-173.729.7-36.6000111.8V309 D330 P331V309-P328 HydrophobicContact CB-CG 4.45Å; V309-P328 HydrophobicContact CG1-CG 4.21Å; V309-P328 HydrophobicContact CG2-CG 3.79Å; P328-D330 PolarHBondContact O-N 2.97Å; P328-P331 HydrophobicContact CG-CB 4.14Å
329A84.4Confident76.8Confident116 Ų11668.3 Ų68.396%0.95938%0.377SS*.SBendtrans-61.2-31.6175.100000112.9
330D82.8Confident74.3Confident59 Ų5976 Ų7632%0.31641%0.41SS..  trans-122.392.2172.7-176.4-3.4000110.1P328 S332 K333P328-D330 PolarHBondContact O-N 2.97Å; D330-S332 PolarHBondContact O-N 2.85Å; D330-S332 WeakPolarHBondContact OD1-CB 3.28Å; D330-S332 PolarHBondContact OD1-N 2.82Å; D330-S332 VanDerWaalsContact OD1-N 3.1Å; D330-S332 PolarHBondContact OD1-OG 2.79Å; D330-K333 WeakPolarHBondContact OD2-CD 3.25Å; D330-K333 VanDerWaalsContact OD2-CE 3.23Å; D330-K333 WeakPolarHBondContact OD2-CE 3.39Å; D330-K333 WeakPolarHBondContact OD2-CG 3.35Å; D330-K333 IonicContact OD2-NZ 2.78Å; D330-K333 PolarHBondContact OD2-NZ 2.93Å
331P80.8Confident72Confident30 Ų3081 Ų8120%0.19544%0.437CS..THydrogen-bonded Turntrans-75.9-7.1-177.233.9-38.3000112.9M307 V309 Y327 P328M307-P331 HydrophobicContact CE-CB 3.43Å; M307-P331 VanDerWaalsContact CE-CB 3.43Å; M307-P331 HydrophobicContact CE-CG 3.55Å; M307-P331 WeakPolarHBondContact CE-O 3.26Å; V309-P331 HydrophobicContact CG2-CB 3.64Å; Y327-P331 HydrophobicContact CE1-CB 3.94Å; Y327-P331 HydrophobicContact CE1-CG 3.99Å; Y327-P331 WeakPolarHBondContact OH-CB 3.47Å; P328-P331 HydrophobicContact CG-CB 4.14Å
332S75.4Confident70Confident62 Ų6281.9 Ų81.943%0.43444%0.443SS..THydrogen-bonded Turntrans-79.4-20.5179.776.30000113.1D330D330-S332 PolarHBondContact O-N 2.85Å; D330-S332 WeakPolarHBondContact OD1-CB 3.28Å; D330-S332 PolarHBondContact OD1-N 2.82Å; D330-S332 VanDerWaalsContact OD1-N 3.1Å; D330-S332 PolarHBondContact OD1-OG 2.79Å
333K67.1Low68Low135 Ų13589.5 Ų89.559%0.58748%0.476SS*.SBendtrans-83.4133.5176.9-72.8178.3179123.50110D330 T335D330-K333 WeakPolarHBondContact OD2-CD 3.25Å; D330-K333 VanDerWaalsContact OD2-CE 3.23Å; D330-K333 WeakPolarHBondContact OD2-CE 3.39Å; D330-K333 WeakPolarHBondContact OD2-CG 3.35Å; D330-K333 IonicContact OD2-NZ 2.78Å; D330-K333 PolarHBondContact OD2-NZ 2.93Å; K333-T335 PolarHBondContact O-N 3.08Å
334P58.1Low66.6Low93 Ų9388.8 Ų88.860%0.60446%0.461SS*.PPolyproline II helixtrans-59.3126.7171.924.3-30.7000108.7K336P334-K336 PolarHBondContact O-N 2.81Å
335T53.1Low65Low44 Ų4496.9 Ų96.927%0.2750%0.499SS..PPolyproline II helixtrans-63.4130.5171.327.10000108.2V309 K333 N337 D338V309-T335 HydrophobicContact CG1-CG2 4.4Å; K333-T335 PolarHBondContact O-N 3.08Å; T335-N337 PolarHBondContact O-N 2.81Å; T335-D338 VanDerWaalsContact O-CG 3.29Å; T335-D338 PolarHBondContact O-N 3.23Å; T335-D338 PolarHBondContact OG1-OD1 2.83Å
336K45Very low63.5Low211 Ų21197.5 Ų97.592%0.91751%0.508SS*.THydrogen-bonded Turntrans-59.1-5177.2-73-175.5177.8179.50113.8P334P334-K336 PolarHBondContact O-N 2.81Å
337N46.7Very low62.1Low73 Ų7397 Ų9739%0.3951%0.509SS..THydrogen-bonded Turntrans-97.86.4-178.1-66.8-8.5000114T335 Q339 K340 S342T335-N337 PolarHBondContact O-N 2.81Å; N337-Q339 PolarHBondContact O-N 2.98Å; N337-K340 PolarHBondContact O-N 2.83Å; N337-S342 WeakPolarHBondContact ND2-CB 3.5Å; N337-S342 PolarHBondContact ND2-OG 2.98Å
338D47Very low60.5Low65 Ų6599.1 Ų99.135%0.34853%0.527SS..THydrogen-bonded Turntrans-61.1-4.2176.6-67.8-1000113.5T335T335-D338 VanDerWaalsContact O-CG 3.29Å; T335-D338 PolarHBondContact O-N 3.23Å; T335-D338 PolarHBondContact OG1-OD1 2.83Å
339Q43.3Very low59.1Low185 Ų185106 Ų10686%0.86456%0.562SS**THydrogen-bonded Turntrans-136.84.6-176.8-67.7-172.9-11.900116.1N337N337-Q339 PolarHBondContact O-N 2.98Å
340K42.6Very low58.2Low164 Ų164108 Ų10871%0.71356%0.556SS**SBendtrans-138.6136.6176.1-74.3-174.2177.8-177.70109.5N337 S342N337-K340 PolarHBondContact O-N 2.83Å; K340-S342 VanDerWaalsContact C-N 3.27Å; K340-S342 PolarHBondContact O-N 3.08Å
341D46.3Very low58.1Low109 Ų109105.4 Ų105.458%0.58354%0.543SS*.  trans-46.695.7165-102.6-35.5000108.1D314 Q343D314-D341 PolarHBondContact N-OD1 2.63Å; D341-Q343 PolarHBondContact O-N 2.83Å
342S52Low58.5Low17 Ų17108.6 Ų108.612%0.11956%0.558CS.*  trans-86.4110.3168.557.90000105.3N337 K340 L344N337-S342 WeakPolarHBondContact ND2-CB 3.5Å; N337-S342 PolarHBondContact ND2-OG 2.98Å; K340-S342 VanDerWaalsContact C-N 3.27Å; K340-S342 PolarHBondContact O-N 3.08Å; S342-L344 VanDerWaalsContact C-N 3.29Å; S342-L344 PolarHBondContact O-N 2.84Å
343Q54.1Low59.4Low186 Ų186106.8 Ų106.887%0.86954%0.544SS*.  trans-58.999.1167.8-69.6-175.6-14.200107.1D341D341-Q343 PolarHBondContact O-N 2.83Å
344L61.5Low60.7Low33 Ų33100.6 Ų100.617%0.17352%0.517CS..PPolyproline II helixtrans-74.9129.9164.8-61.9174.2000105.5V311 Q313 I318 L326 S342 D346V311-L344 HydrophobicContact CB-CD1 4.48Å; V311-L344 HydrophobicContact CG1-CD1 3.88Å; V311-L344 HydrophobicContact CG1-CG 4.44Å; Q313-L344 PolarHBondContact NE2-O 3.45Å; Q313-L344 VanDerWaalsContact OE1-CD1 3.31Å; I318-L344 HydrophobicContact CD1-CD1 4.33Å; L326-L344 HydrophobicContact CD1-CB 4.11Å; L326-L344 HydrophobicContact CD1-CD1 3.77Å; L326-L344 HydrophobicContact CD1-CD2 3.89Å; L326-L344 HydrophobicContact CD1-CG 4.14Å; S342-L344 VanDerWaalsContact C-N 3.29Å; S342-L344 PolarHBondContact O-N 2.84Å; L344-D346 PolarHBondContact O-N 2.99Å
345E60.4Low62.4Low177 Ų17796.5 Ų96.583%0.82749%0.489SS*.PPolyproline II helixtrans-55134.1172.4-67.4-178.2167.200109.2
346D61.2Low64.4Low142 Ų14294.4 Ų94.476%0.75948%0.477SS*.PPolyproline II helixtrans-55.5125.1175.8-86.5-28.9000108.7L344 T348L344-D346 PolarHBondContact O-N 2.99Å; D346-T348 PolarHBondContact O-N 2.76Å
347P61.3Low66.7Low54 Ų5484.7 Ų84.735%0.35144%0.435SS..PPolyproline II helixtrans-62.3130.1-178.922.2-29.3000109.8L353P347-L353 HydrophobicContact CB-CD1 4.4Å; P347-L353 HydrophobicContact CB-CD2 3.79Å; P347-L353 HydrophobicContact CG-CD1 4.41Å; P347-L353 HydrophobicContact CG-CD2 4.16Å
348T59.8Low68.8Low91 Ų9181.9 Ų81.956%0.55842%0.42SS*.PPolyproline II helixtrans-66.4156.2168.656.60000110D346 D350 S351D346-T348 PolarHBondContact O-N 2.76Å; T348-D350 PolarHBondContact O-N 2.85Å; T348-S351 PolarHBondContact N-OG 2.88Å; T348-S351 VanDerWaalsContact O-CB 3.32Å; T348-S351 WeakPolarHBondContact O-CB 3.3Å; T348-S351 PolarHBondContact O-N 3.48Å; T348-S351 PolarHBondContact O-OG 3.31Å; T348-S351 VanDerWaalsContact O-OG 3.1Å; T348-S351 PolarHBondContact OG1-OG 2.94Å
349D58.9Low70.9Confident179 Ų17981.5 Ų81.596%0.95742%0.422SS*.THydrogen-bonded Turntrans-53.2-21.1-178.8-108.8-0.3000114.5
350D64.5Low73.1Confident159 Ų15974.5 Ų74.585%0.8539%0.39SS*.THydrogen-bonded Turntrans-100.814.8-179.7-16030.8000113.6T348T348-D350 PolarHBondContact O-N 2.85Å
351S81.3Confident75.2Confident5 Ų570.8 Ų70.84%0.03538%0.383CS..  trans-79.5138180-65.80000111.9T348 L353 T369T348-S351 PolarHBondContact N-OG 2.88Å; T348-S351 VanDerWaalsContact O-CB 3.32Å; T348-S351 WeakPolarHBondContact O-CB 3.3Å; T348-S351 PolarHBondContact O-N 3.48Å; T348-S351 PolarHBondContact O-OG 3.31Å; T348-S351 VanDerWaalsContact O-OG 3.1Å; T348-S351 PolarHBondContact OG1-OG 2.94Å; S351-L353 PolarHBondContact O-N 2.93Å; S351-L353 VanDerWaalsContact O-N 3.13Å; S351-T369 PolarHBondContact O-OG1 3.28Å
352D89.8Confident77.4Confident97 Ų9768.8 Ų68.852%0.51937%0.368SS..  trans-66.7105.6166.3-75.6-40.6000109.7K325 V370K325-D352 WeakPolarHBondContact CB-O 3.18Å; K325-D352 PolarHBondContact N-O 2.93Å; D352-V370 HydrophobicContact CB-CG1 3.85Å
353L92.8Very high79.3Confident23 Ų2370.4 Ų70.412%0.1238%0.377CS..  trans-111.2135-178.2-61.3-178.4000109.7P347 S351 Q367 I368 T369 V370P347-L353 HydrophobicContact CB-CD1 4.4Å; P347-L353 HydrophobicContact CB-CD2 3.79Å; P347-L353 HydrophobicContact CG-CD1 4.41Å; P347-L353 HydrophobicContact CG-CD2 4.16Å; S351-L353 PolarHBondContact O-N 2.93Å; S351-L353 VanDerWaalsContact O-N 3.13Å; L353-Q367 CarbonylContact C-O 3.58Å; L353-Q367 HydrophobicContact CD1-CB 4.33Å; L353-I368 CarbonylContact O-C 3.57Å; L353-I368 VanDerWaalsContact O-CA 3.25Å; L353-I368 WeakPolarHBondContact O-CA 3.41Å; L353-T369 HydrophobicContact CB-CG2 4.33Å; L353-T369 HydrophobicContact CD1-CG2 4.45Å; L353-T369 PolarHBondContact N-OG1 3.35Å; L353-T369 PolarHBondContact O-N 3.2Å; L353-V370 PolarHBondContact O-N 3.1Å
354H94.5Very high81.1Confident6 Ų662 Ų623%0.02834%0.339CS..EExtended strand (participates in β ladder)trans-153.779.4169.2-167.6-161.3000109.1Y277 W306 L321 P322 D324 Q367 V370Y277-H354 AromaticContact CE2-NE2 3.68Å; Y277-H354 AromaticContact CZ-NE2 3.56Å; Y277-H354 PolarHBondContact OH-NE2 3.2Å; W306-H354 AromaticContact CH2-CE1 3.22Å; W306-H354 WeakPolarHBondContact CH2-CE1 3.32Å; W306-H354 AromaticContact CH2-NE2 3.49Å; W306-H354 WeakPolarHBondContact CH2-NE2 3.43Å; W306-H354 AromaticContact CZ2-CE1 3.56Å; W306-H354 AromaticContact CZ3-CE1 3.63Å; W306-H354 AromaticContact CZ3-NE2 3.71Å; L321-H354 WeakPolarHBondContact CA-O 3.3Å; L321-H354 HydrophobicContact CB-CB 4.4Å; L321-H354 VanDerWaalsContact CB-O 3.23Å; L321-H354 WeakPolarHBondContact CB-O 3.48Å; L321-H354 WeakPolarHBondContact CD1-NE2 3.42Å; L321-H354 PolarHBondContact N-O 2.8Å; P322-H354 PolarHBondContact O-ND1 3.08Å; D324-H354 HydrophobicContact CB-CB 4.07Å; D324-H354 PolarHBondContact OD2-N 3.13Å; H354-Q367 PolarHBondContact N-O 3.49Å; H354-V370 HydrophobicContact CB-CG1 4.34Å; H354-V370 HydrophobicContact CB-CG2 3.63Å
355R94.3Very high82.5Confident7 Ų762 Ų623%0.02634%0.34CS..EExtended strand (participates in β ladder)trans-144.9152.2-174.463.7-174.471.9165.39113.5I318 S319 L320 D324 V357 Q367I318-R355 HydrophobicContact CG2-CB 4.11Å; I318-R355 HydrophobicContact CG2-CG 4.34Å; S319-R355 VanDerWaalsContact O-CA 3.27Å; S319-R355 WeakPolarHBondContact O-CA 3.46Å; L320-R355 HydrophobicContact CD2-CB 4.03Å; D324-R355 VanDerWaalsContact CG-NH2 3.29Å; D324-R355 IonicContact OD1-CZ 3.71Å; D324-R355 IonicContact OD1-NE 3.39Å; D324-R355 IonicContact OD1-NH2 3.11Å; D324-R355 PolarHBondContact OD1-NH2 3.14Å; D324-R355 IonicContact OD2-CZ 3.95Å; D324-R355 IonicContact OD2-NE 2.76Å; D324-R355 PolarHBondContact OD2-NE 3.35Å; D324-R355 IonicContact OD2-NH2 2.63Å; D324-R355 PolarHBondContact OD2-NH2 2.68Å; D324-R355 VanDerWaalsContact OD2-NH2 3.14Å; R355-V357 HydrophobicContact CG-CG2 4.37Å; R355-Q367 HydrophobicContact CG-CB 3.88Å; R355-Q367 PolarHBondContact N-O 2.79Å; R355-Q367 PolarHBondContact O-N 3.32Å
356M94.7Very high84Confident0 Ų054 Ų540%030%0.302CS..EExtended strand (participates in β ladder)trans-103.6119.2167.8-62.4175.2-69.300108.8P273 Y277 S319 L321 T364 T365 L366P273-M356 HydrophobicContact CB-CE 3.66Å; P273-M356 HydrophobicContact CB-SD 3.99Å; Y277-M356 HydrophobicContact CD2-CG 4.31Å; Y277-M356 HydrophobicContact CD2-SD 4Å; S319-M356 PolarHBondContact N-O 2.9Å; S319-M356 PolarHBondContact O-N 2.72Å; S319-M356 VanDerWaalsContact OG-CE 3.28Å; S319-M356 WeakPolarHBondContact OG-CE 3.42Å; L321-M356 HydrophobicContact CD1-CE 4.34Å; L321-M356 HydrophobicContact CD2-CE 4.21Å; M356-T364 HydrophobicContact CB-CG2 3.99Å; M356-T364 HydrophobicContact CG-CG2 4.38Å; M356-T365 CarbonylContact C-O 2.98Å; M356-T365 WeakPolarHBondContact CA-O 3.45Å; M356-L366 HydrophobicContact CG-CD2 3.55Å; M356-L366 HydrophobicContact SD-CD2 4.46Å
357V93.4Very high85.5Confident7 Ų750.7 Ų50.74%0.04228%0.283CS..EExtended strand (participates in β ladder)trans-97.8113.2175.7-177.10000108.3Q316 I318 R355 T364 T365 Q367Q316-V357 HydrophobicContact CB-CG1 4.32Å; I318-V357 HydrophobicContact CG1-CG2 4.46Å; R355-V357 HydrophobicContact CG-CG2 4.37Å; V357-T364 WeakPolarHBondContact O-CA 3.34Å; V357-T365 PolarHBondContact N-O 2.92Å; V357-T365 PolarHBondContact O-N 3.35Å; V357-Q367 HydrophobicContact CG2-CG 4.32Å
358M92.2Very high86.9Confident14 Ų1449.5 Ų49.57%0.06927%0.273CS..EExtended strand (participates in β ladder)trans-106.6104.8-178.8-64.7158.9-77.100109.2P273 H317 T363 T364P273-M358 HydrophobicContact CG-SD 4.16Å; H317-M358 HydrophobicContact CB-CB 4.26Å; H317-M358 HydrophobicContact CB-CE 3.96Å; H317-M358 PolarHBondContact N-O 3.12Å; H317-M358 WeakPolarHBondContact O-CB 3.32Å; H317-M358 VanDerWaalsContact O-CE 3.3Å; H317-M358 WeakPolarHBondContact O-CE 3.34Å; H317-M358 PolarHBondContact O-N 2.88Å; M358-T363 WeakPolarHBondContact CA-O 3.13Å; M358-T364 HydrophobicContact CG-CG2 4.2Å; M358-T364 WeakPolarHBondContact CG-OG1 3.41Å
359S89.3Confident88.4Confident56 Ų5648.9 Ų48.939%0.39227%0.269SS..EExtended strand (participates in β ladder)trans-78.7-29.6177-50.50000112Q316 T363Q316-S359 PolarHBondContact NE2-OG 2.93Å; Q316-S359 VanDerWaalsContact NE2-OG 3.08Å; S359-T363 PolarHBondContact N-O 2.8Å; S359-T363 VanDerWaalsContact N-O 3.08Å
360D89.9Confident90Very high39 Ų3941.2 Ų41.221%0.20923%0.229CC..EExtended strand (participates in β ladder)trans-151.5172.9170.679.762.9000109.6R267 Y362 T363R267-D360 IonicContact NH2-OD1 2.9Å; R267-D360 IonicContact NH2-OD2 2.71Å; R267-D360 PolarHBondContact NH2-OD2 2.84Å; D360-Y362 PolarHBondContact O-N 3.18Å; D360-Y362 WeakPolarHBondContact OD1-CA 3.12Å; D360-Y362 WeakPolarHBondContact OD1-CB 3.25Å; D360-Y362 PolarHBondContact OD1-N 3.06Å; D360-T363 PolarHBondContact O-N 2.8Å; D360-T363 PolarHBondContact OD1-N 2.81Å; D360-T363 WeakPolarHBondContact OD2-CB 3.35Å; D360-T363 PolarHBondContact OD2-OG1 3.02Å
361P88Confident91.3Very high85 Ų8542.7 Ų42.755%0.55223%0.228SC*.THydrogen-bonded Turntrans-56.4-18.4-177.7-27.236.2000116.3Y264 W270Y264-P361 VanDerWaalsContact CE2-O 3.3Å; Y264-P361 WeakPolarHBondContact CE2-O 3.36Å; Y264-P361 PolarHBondContact OH-O 2.82Å; W270-P361 VanDerWaalsContact CD1-O 3.29Å; W270-P361 PolarHBondContact NE1-O 2.82Å
362Y91.8Very high91.7Very high67 Ų6744.6 Ų44.626%0.26324%0.24SC..THydrogen-bonded Turntrans-118.2-1.2-176.2-61.7-83.9000113.9Y264 R267 L269 W270 D360Y264-Y362 HydrophobicContact CD2-CD1 4.15Å; Y264-Y362 WeakPolarHBondContact CE1-O 3.29Å; Y264-Y362 HydrophobicContact CE2-CD1 4.24Å; Y264-Y362 VanDerWaalsContact CZ-CA 3.46Å; Y264-Y362 WeakPolarHBondContact O-CD1 3.42Å; Y264-Y362 WeakPolarHBondContact OH-CA 3.45Å; R267-Y362 HydrophobicContact CB-CD1 4.23Å; R267-Y362 HydrophobicContact CB-CD2 4.36Å; R267-Y362 HydrophobicContact CB-CE1 4.48Å; R267-Y362 HydrophobicContact CB-CG 4.15Å; R267-Y362 HydrophobicContact CG-CD1 4.26Å; R267-Y362 HydrophobicContact CG-CD2 3.95Å; R267-Y362 HydrophobicContact CG-CG 3.73Å; L269-Y362 WeakPolarHBondContact O-CE1 3.36Å; W270-Y362 HydrophobicContact CB-CE1 3.69Å; W270-Y362 AromaticContact CD1-CE1 3.72Å; W270-Y362 AromaticContact CD1-CZ 3.94Å; W270-Y362 HydrophobicContact CG-CE1 4.13Å; D360-Y362 PolarHBondContact O-N 3.18Å; D360-Y362 WeakPolarHBondContact OD1-CA 3.12Å; D360-Y362 WeakPolarHBondContact OD1-CB 3.25Å; D360-Y362 PolarHBondContact OD1-N 3.06Å
363T90.9Very high91.9Very high51 Ų5146 Ų4631%0.31324%0.241SC..EExtended strand (participates in β ladder)trans-119.3100.8-178.9-560000109.4M358 S359 D360M358-T363 WeakPolarHBondContact CA-O 3.13Å; S359-T363 PolarHBondContact N-O 2.8Å; S359-T363 VanDerWaalsContact N-O 3.08Å; D360-T363 PolarHBondContact O-N 2.8Å; D360-T363 PolarHBondContact OD1-N 2.81Å; D360-T363 WeakPolarHBondContact OD2-CB 3.35Å; D360-T363 PolarHBondContact OD2-OG1 3.02Å
364T92.4Very high92Very high11 Ų1147.6 Ų47.67%0.06725%0.246CC..EExtended strand (participates in β ladder)trans-119.3127.4178.5-61.60000110.5Y264 F276 M356 V357 M358Y264-T364 PolarHBondContact OH-OG1 3.26Å; F276-T364 HydrophobicContact CD1-CG2 3.87Å; F276-T364 HydrophobicContact CE1-CG2 3.66Å; F276-T364 HydrophobicContact CZ-CG2 4.12Å; M356-T364 HydrophobicContact CB-CG2 3.99Å; M356-T364 HydrophobicContact CG-CG2 4.38Å; V357-T364 WeakPolarHBondContact O-CA 3.34Å; M358-T364 HydrophobicContact CG-CG2 4.2Å; M358-T364 WeakPolarHBondContact CG-OG1 3.41Å
365T91.4Very high91.9Very high32 Ų3252.6 Ų52.620%0.19627%0.273CS..EExtended strand (participates in β ladder)trans-111.4138.8172.2-560000109.7M356 V357M356-T365 CarbonylContact C-O 2.98Å; M356-T365 WeakPolarHBondContact CA-O 3.45Å; V357-T365 PolarHBondContact N-O 2.92Å; V357-T365 PolarHBondContact O-N 3.35Å
366L92.5Very high91.9Very high8 Ų853 Ų534%0.04228%0.275CS..EExtended strand (participates in β ladder)trans-99.4126.4176.7-70.2158.7000109.3F276 Y277 M356 I368 P379 V381F276-L366 HydrophobicContact CE1-CD1 3.84Å; F276-L366 HydrophobicContact CE1-CG 4.03Å; Y277-L366 HydrophobicContact CD2-CD2 3.78Å; Y277-L366 HydrophobicContact CE2-CD2 3.95Å; M356-L366 HydrophobicContact CG-CD2 3.55Å; M356-L366 HydrophobicContact SD-CD2 4.46Å; L366-I368 HydrophobicContact CB-CD1 4.31Å; L366-I368 HydrophobicContact CB-CG1 4.37Å; L366-I368 HydrophobicContact CD2-CD1 4.24Å; L366-P379 HydrophobicContact CD1-CB 3.62Å; L366-P379 HydrophobicContact CD1-CG 3.6Å; L366-P379 HydrophobicContact CD2-CG 4.21Å; L366-P379 HydrophobicContact CG-CG 4.41Å; L366-V381 HydrophobicContact CB-CG1 4.48Å; L366-V381 HydrophobicContact CB-CG2 4.18Å; L366-V381 VanDerWaalsContact O-CG1 3.29Å; L366-V381 WeakPolarHBondContact O-CG1 3.48Å
367Q91.9Very high91.8Very high74 Ų7454.1 Ų54.135%0.34628%0.281SS..EExtended strand (participates in β ladder)trans-116.2106.6172.4-67.2176.6-13.700107.7L353 H354 R355 V357L353-Q367 CarbonylContact C-O 3.58Å; L353-Q367 HydrophobicContact CD1-CB 4.33Å; H354-Q367 PolarHBondContact N-O 3.49Å; R355-Q367 HydrophobicContact CG-CB 3.88Å; R355-Q367 PolarHBondContact N-O 2.79Å; R355-Q367 PolarHBondContact O-N 3.32Å; V357-Q367 HydrophobicContact CG2-CG 4.32Å
368I91.7Very high91.7Very high28 Ų2855.9 Ų55.914%0.14429%0.29CS..EExtended strand (participates in β ladder)trans-139.9120.3-172.9-44.6178.6000110.9Y277 L353 L366 V370 L378 P379Y277-I368 HydrophobicContact CE2-CD1 4.07Å; L353-I368 CarbonylContact O-C 3.57Å; L353-I368 VanDerWaalsContact O-CA 3.25Å; L353-I368 WeakPolarHBondContact O-CA 3.41Å; L366-I368 HydrophobicContact CB-CD1 4.31Å; L366-I368 HydrophobicContact CB-CG1 4.37Å; L366-I368 HydrophobicContact CD2-CD1 4.24Å; I368-V370 HydrophobicContact CG2-CG2 3.94Å; I368-L378 HydrophobicContact CG2-CD1 4.17Å; I368-L378 HydrophobicContact CG2-CD2 3.77Å; I368-P379 HydrophobicContact CD1-CG 3.34Å
369T91.1Very high91.7Very high78 Ų7855.2 Ų55.248%0.47929%0.287SS..  trans-121.6-17.2171.757.70000111.8S351 L353S351-T369 PolarHBondContact O-OG1 3.28Å; L353-T369 HydrophobicContact CB-CG2 4.33Å; L353-T369 HydrophobicContact CD1-CG2 4.45Å; L353-T369 PolarHBondContact N-OG1 3.35Å; L353-T369 PolarHBondContact O-N 3.2Å
370V91.3Very high91.7Very high18 Ų1852.7 Ų52.711%0.10927%0.269CS..SBendtrans-66.6150.6177.6-58.80000112.4G323 D352 L353 H354 I368G323-V370 WeakPolarHBondContact O-CG1 3.31Å; D352-V370 HydrophobicContact CB-CG1 3.85Å; L353-V370 PolarHBondContact O-N 3.1Å; H354-V370 HydrophobicContact CB-CG1 4.34Å; H354-V370 HydrophobicContact CB-CG2 3.63Å; I368-V370 HydrophobicContact CG2-CG2 3.94Å
371K91.3Very high90.9Very high191 Ų19153 Ų5383%0.8327%0.272SS*.PPolyproline II helixtrans-79.2133.9170.3-68.9-178.1-180176.40110.6K373K371-K373 PolarHBondContact O-N 3.35Å
372P90.4Very high89.6Confident44 Ų4451.4 Ų51.429%0.28626%0.261SS..PPolyproline II helixtrans-66.7135.8174.727.4-32.1000110.4H376 L378P372-H376 HydrophobicContact CB-CB 4.32Å; P372-H376 WeakPolarHBondContact CB-O 3.39Å; P372-H376 WeakPolarHBondContact CG-O 3.23Å; P372-L378 HydrophobicContact CB-CD2 4.06Å; P372-L378 HydrophobicContact CG-CD2 4.01Å; P372-L378 HydrophobicContact CG-CG 4.06Å
373K93.4Very high87.7Confident128 Ų12852.7 Ų52.756%0.55728%0.278SS*.SBendtrans-76.7165.2171-64.2-179.1-171.5170.10111.4D304 K371 N375 H376D304-K373 VanDerWaalsContact OD2-CD 3.27Å; D304-K373 WeakPolarHBondContact OD2-CD 3.22Å; D304-K373 IonicContact OD2-NZ 2.98Å; D304-K373 PolarHBondContact OD2-NZ 3.29Å; K371-K373 PolarHBondContact O-N 3.35Å; K373-N375 VanDerWaalsContact C-N 3.25Å; K373-N375 PolarHBondContact O-N 3.2Å; K373-H376 WeakPolarHBondContact O-CB 3.5Å; K373-H376 PolarHBondContact O-N 3.3Å
374Y95Very high85.4Confident55 Ų5553.4 Ų53.422%0.21629%0.289CS..THydrogen-bonded Turntrans55.838174.1-45.4-71.5000113.4Q104 E301 G302 D304 H376Q104-Y374 HydrophobicContact CG-CE1 3.85Å; Q104-Y374 PolarHBondContact NE2-OH 3.03Å; E301-Y374 WeakPolarHBondContact CB-O 3.21Å; E301-Y374 VanDerWaalsContact O-CD1 3.24Å; E301-Y374 WeakPolarHBondContact O-CD1 3.37Å; G302-Y374 WeakPolarHBondContact O-CB 3.36Å; D304-Y374 HydrophobicContact CB-CE2 4.14Å; D304-Y374 VanDerWaalsContact CG-CE2 3.46Å; D304-Y374 WeakPolarHBondContact OD1-CE2 3.23Å; D304-Y374 VanDerWaalsContact OD1-CZ 3.28Å; D304-Y374 PolarHBondContact OD1-OH 2.94Å; Y374-H376 PolarHBondContact O-N 2.58Å
375N94Very high82.8Confident112 Ų11260.6 Ų60.660%0.59933%0.326SS*.THydrogen-bonded Turntrans49.730.2-178.5-56-35.8000113.6E301 K373E301-N375 HydrophobicContact CG-CB 4.3Å; E301-N375 PolarHBondContact OE2-ND2 3.1Å; K373-N375 VanDerWaalsContact C-N 3.25Å; K373-N375 PolarHBondContact O-N 3.2Å
376H94.3Very high79.8Confident15 Ų1564.2 Ų64.27%0.06935%0.352CS..  trans-80.7178.3176.8-149.8-0.8000111.1W212 R281 P372 K373 Y374W212-H376 AromaticContact CE2-CE1 3.67Å; W212-H376 AromaticContact CE2-NE2 3.97Å; W212-H376 AromaticContact CH2-CE1 3.76Å; W212-H376 AromaticContact CZ2-CE1 3.55Å; W212-H376 PolarHBondContact O-NE2 3.15Å; R281-H376 PolarHBondContact NH1-CD2 3.25Å; R281-H376 PolarHBondContact NH1-NE2 2.86Å; R281-H376 VanDerWaalsContact NH1-NE2 3.13Å; P372-H376 HydrophobicContact CB-CB 4.32Å; P372-H376 WeakPolarHBondContact CB-O 3.39Å; P372-H376 WeakPolarHBondContact CG-O 3.23Å; K373-H376 WeakPolarHBondContact O-CB 3.5Å; K373-H376 PolarHBondContact O-N 3.3Å; Y374-H376 PolarHBondContact O-N 2.58Å
377L91.5Very high76.8Confident23 Ų2372.6 Ų72.612%0.1239%0.391CS..  trans-109.7151.3-173.8-64.3164000110.6R281 F285 F294R281-L377 PolarHBondContact NE-O 3.21Å; F285-L377 HydrophobicContact CD2-CD1 4.13Å; F285-L377 HydrophobicContact CE2-CD1 3.07Å; F285-L377 HydrophobicContact CZ-CD1 3.41Å; F285-L377 VanDerWaalsContact CZ-CD1 3.41Å; F294-L377 HydrophobicContact CD1-CD1 3.92Å; F294-L377 HydrophobicContact CD2-CD1 4.28Å; F294-L377 HydrophobicContact CE1-CD1 3.48Å; F294-L377 VanDerWaalsContact CE1-CD1 3.48Å; F294-L377 HydrophobicContact CE1-CG 3.97Å; F294-L377 HydrophobicContact CE2-CD1 3.86Å; F294-L377 HydrophobicContact CE2-CD2 4.13Å; F294-L377 HydrophobicContact CE2-CG 3.88Å; F294-L377 HydrophobicContact CG-CD1 4.32Å; F294-L377 HydrophobicContact CZ-CD1 3.46Å; F294-L377 VanDerWaalsContact CZ-CD1 3.46Å; F294-L377 HydrophobicContact CZ-CD2 4.21Å; F294-L377 HydrophobicContact CZ-CG 3.46Å; F294-L377 VanDerWaalsContact CZ-CG 3.46Å
378L91.4Very high73.7Confident45 Ų4575 Ų7524%0.23641%0.406CS..PPolyproline II helixtrans-82.2145.3164.7-63.2-175.4000110R284 I368 P372R284-L378 VanDerWaalsContact CZ-O 3.32Å; R284-L378 PolarHBondContact NE-O 3.08Å; R284-L378 PolarHBondContact NH2-O 3.35Å; I368-L378 HydrophobicContact CG2-CD1 4.17Å; I368-L378 HydrophobicContact CG2-CD2 3.77Å; P372-L378 HydrophobicContact CB-CD2 4.06Å; P372-L378 HydrophobicContact CG-CD2 4.01Å; P372-L378 HydrophobicContact CG-CG 4.06Å
379P92.8Very high70.8Confident0 Ų079.5 Ų79.50%044%0.437CS..PPolyproline II helixtrans-59.2160.5171.525.4-33.9000111.8Y277 S280 R281 R284 L366 I368 V381Y277-P379 HydrophobicContact CD1-CG 4.5Å; Y277-P379 HydrophobicContact CE1-CG 3.96Å; Y277-P379 HydrophobicContact CE2-CG 4.09Å; S280-P379 WeakPolarHBondContact OG-CB 3.34Å; R281-P379 HydrophobicContact CG-CB 4.35Å; R284-P379 PolarHBondContact NH2-O 2.85Å; L366-P379 HydrophobicContact CD1-CB 3.62Å; L366-P379 HydrophobicContact CD1-CG 3.6Å; L366-P379 HydrophobicContact CD2-CG 4.21Å; L366-P379 HydrophobicContact CG-CG 4.41Å; I368-P379 HydrophobicContact CD1-CG 3.34Å; P379-V381 PolarHBondContact O-N 3.48Å
380V88.9Confident67.9Low2 Ų284.9 Ų84.91%0.01245%0.454CS..PPolyproline II helixtrans-71.5117.6167.6175.40000108.2A39 R41 L42 S280 C283 R284A39-V380 HydrophobicContact CB-CG2 4.35Å; A39-V380 WeakPolarHBondContact O-CG1 3.36Å; R41-V380 WeakPolarHBondContact O-CG1 3.48Å; L42-V380 HydrophobicContact CD2-CB 4.15Å; L42-V380 HydrophobicContact CD2-CG1 3.93Å; L42-V380 HydrophobicContact CG-CG1 4.32Å; S280-V380 PolarHBondContact O-N 3.16Å; S280-V380 VanDerWaalsContact O-N 3.08Å; S280-V380 PolarHBondContact OG-N 2.71Å; S280-V380 PolarHBondContact OG-O 3.34Å; C283-V380 HydrophobicContact CB-CB 4.24Å; C283-V380 HydrophobicContact CB-CG2 3.7Å; R284-V380 HydrophobicContact CG-CG2 4.07Å
381V72.9Confident65.1Low46 Ų4689.1 Ų89.128%0.27948%0.484SS..  trans-92.5112.8179.3-176.10000107.4T40 L366 P379T40-V381 CarbonylContact C-O 3.58Å; L366-V381 HydrophobicContact CB-CG1 4.48Å; L366-V381 HydrophobicContact CB-CG2 4.18Å; L366-V381 VanDerWaalsContact O-CG1 3.29Å; L366-V381 WeakPolarHBondContact O-CG1 3.48Å; P379-V381 PolarHBondContact O-N 3.48Å
382T61.4Low62.2Low51 Ų5189.3 Ų89.331%0.31349%0.488SS..PPolyproline II helixtrans-88.3134170.1-33.70000107.5L42 A384L42-T382 WeakPolarHBondContact CG-OG1 3.49Å; T382-A384 PolarHBondContact O-N 2.84Å
383P50.6Low59.4Low95 Ų9599.1 Ų99.162%0.61754%0.537SS*.PPolyproline II helixtrans-56.3133.9167.9-19.229.6000108.9T40 L385T40-P383 WeakPolarHBondContact O-CD 3.47Å; P383-L385 PolarHBondContact O-N 2.74Å
384A42.8Very low57.7Low66 Ų6697.7 Ų97.755%0.54554%0.536SS..PPolyproline II helixtrans-55.1125.8169.900000107.9T382 S386T382-A384 PolarHBondContact O-N 2.84Å; A384-S386 PolarHBondContact O-N 3.43Å
385L37.2Very low55.7Low161 Ų16199.9 Ų99.984%0.84355%0.553SS**  trans-54.2115.9168.3-79.8160.2000106.3P383 H387P383-L385 PolarHBondContact O-N 2.74Å; L385-H387 PolarHBondContact O-N 3.41Å
386S29.2Very low53.6Low108 Ų10899.2 Ų99.276%0.75555%0.55SS**  trans-58.3102.617655.60000107.7A384 N388A384-S386 PolarHBondContact O-N 3.43Å; S386-N388 PolarHBondContact O-N 3.18Å
387H28.9Very low51.2Low185 Ų185104.2 Ų104.286%0.85658%0.578SS**  trans-64.796165.5-96.3-64.6000106.5L385 P389L385-H387 PolarHBondContact O-N 3.41Å; H387-P389 WeakPolarHBondContact O-CD 3.07Å
388N28Very low48.7Very low123 Ų123109.3 Ų109.366%0.65861%0.607SS**  trans-73.6110174.3-150.8-9.1000106.5S386 K390S386-N388 PolarHBondContact O-N 3.18Å; N388-K390 PolarHBondContact O-N 2.86Å
389P30.4Very low45.8Very low124 Ų124113.5 Ų113.581%0.80563%0.632SS**THydrogen-bonded Turntrans-73.16.7-172.7-6.422000113.3H387H387-P389 WeakPolarHBondContact O-CD 3.07Å
390K30Very low42.5Very low191 Ų191121.6 Ų121.683%0.8368%0.677SS**THydrogen-bonded Turntrans-110.931.1-171.7-69-169.8176.6-178.10114.4N388N388-K390 PolarHBondContact O-N 2.86Å
391S32.2Very low38.9Very low106 Ų106130.8 Ų130.874%0.74173%0.728SS**  trans-130.161.6172.2-171.40000111.9
392Q30.2Very low36.1Very low196 Ų196137.9 Ų137.992%0.91677%0.765SS**  trans-127.6103.3144.8-72.4-168.7-13.700106
393L31.7Very low33.7Very low249 Ų249145.8 Ų145.8100%1.30481%0.806SS**  trans-860162.3-98.4159.7000108.1

Retrieved 393 of 393 residues in 91.4 ms (Link to these results)

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