A0A077Z3X1_TRITR Loading...

[histone H3]-trimethyl-L-lysine(4) demethylase

AlphaFold DB , UniProt , Accession A0A077Z3X1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 666 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
1M39.3Very low59.7Low213 Ų213115.7 Ų115.7100%1.04958%0.583SS**  0133.70-69.5179.2-157.500107.6V6M1-V6 HydrophobicContact CB-CG2 4.4Å
2N37.9Very low62.9Low108 Ų108115.1 Ų115.158%0.57858%0.577SS**  trans-78.3141.4-178.4-146-7.2000109.1Q4 E5N2-Q4 PolarHBondContact O-N 3.41Å; N2-E5 HydrophobicContact CB-CG 4.28Å; N2-E5 PolarHBondContact N-OE2 3.44Å; N2-E5 WeakPolarHBondContact O-CB 3.3Å; N2-E5 PolarHBondContact O-N 3.05Å
3A41.9Very low65.6Low85 Ų85106.8 Ų106.870%0.70254%0.537SS*.Hα-helixtrans-58.6-21.9-176.600000113.6
4Q42.9Very low68Low154 Ų154101 Ų10172%0.7251%0.511SS*.Hα-helixtrans-73-31.3171.6-74.4-180-23.500113.8N2N2-Q4 PolarHBondContact O-N 3.41Å
5E47.2Very low70Confident138 Ų13897.2 Ų97.265%0.64550%0.501SS*.Hα-helixtrans-72.3-31.2179.8-70.8178.5141.200112.2N2N2-E5 HydrophobicContact CB-CG 4.28Å; N2-E5 PolarHBondContact N-OE2 3.44Å; N2-E5 WeakPolarHBondContact O-CB 3.3Å; N2-E5 PolarHBondContact O-N 3.05Å
6V50Low71.8Confident90 Ų9092.3 Ų92.355%0.54548%0.476SS..Hα-helixtrans-75.7-25.6-180-176.80000111.8M1 F8M1-V6 HydrophobicContact CB-CG2 4.4Å; V6-F8 VanDerWaalsContact C-N 3.28Å; V6-F8 PolarHBondContact O-N 2.66Å
7R51.9Low73.3Confident200 Ų20097.3 Ų97.376%0.75549%0.487SS*.THydrogen-bonded Turntrans-70.8-19.5-170.7-160.2174.4-177179.60.6114.2
8F67.3Low74.7Confident60 Ų6092.4 Ų92.426%0.26346%0.464SS..THydrogen-bonded Turntrans-134.542.4-176.4-55.3-69.6000112.6V6 I10 L457 E458V6-F8 VanDerWaalsContact C-N 3.28Å; V6-F8 PolarHBondContact O-N 2.66Å; F8-I10 PolarHBondContact O-N 2.94Å; F8-L457 HydrophobicContact CD1-CB 4.44Å; F8-E458 HydrophobicContact CD1-CG 3.79Å; F8-E458 HydrophobicContact CD2-CG 3.96Å; F8-E458 HydrophobicContact CE1-CB 4.31Å; F8-E458 HydrophobicContact CE1-CG 3.53Å; F8-E458 HydrophobicContact CE2-CG 3.69Å; F8-E458 HydrophobicContact CG-CG 4.01Å; F8-E458 HydrophobicContact CZ-CB 4.49Å; F8-E458 HydrophobicContact CZ-CG 3.48Å; F8-E458 VanDerWaalsContact CZ-CG 3.48Å
9Q86.9Confident75.8Confident158 Ų15891.6 Ų91.674%0.73846%0.464SS*.PPolyproline II helixtrans-67.2127.9164.8-172.8173.66.600108.9
10I95.2Very high76.7Confident12 Ų1291.1 Ų91.16%0.06247%0.474CS..PPolyproline II helixtrans-72.4124.5179.4-52.1162.8000107.9F8 Y415 P453 K454 L457 V463 K465F8-I10 PolarHBondContact O-N 2.94Å; I10-Y415 HydrophobicContact CD1-CD1 4.22Å; I10-Y415 HydrophobicContact CD1-CE1 3.73Å; I10-P453 HydrophobicContact CD1-CB 3.51Å; I10-P453 HydrophobicContact CD1-CG 4.12Å; I10-P453 HydrophobicContact CG1-CB 4.13Å; I10-K454 HydrophobicContact CG1-CG 4.48Å; I10-L457 HydrophobicContact CB-CD1 4.26Å; I10-L457 HydrophobicContact CG1-CD1 3.82Å; I10-L457 HydrophobicContact CG2-CD1 4.43Å; I10-V463 HydrophobicContact CG2-CB 4.5Å; I10-V463 HydrophobicContact CG2-CG1 4.37Å; I10-V463 WeakPolarHBondContact CG2-O 3.43Å; I10-K465 HydrophobicContact CB-CB 4.24Å; I10-K465 HydrophobicContact CG2-CB 3.69Å
11P96.5Very high77.5Confident55 Ų5592 Ų9236%0.35748%0.476SS..PPolyproline II helixtrans-64.3146.6177.826.1-34.8000111.6V463 Y464 K465P11-V463 VanDerWaalsContact CD-O 3.25Å; P11-V463 WeakPolarHBondContact CD-O 3.15Å; P11-V463 VanDerWaalsContact CG-O 3.25Å; P11-V463 WeakPolarHBondContact CG-O 3.39Å; P11-Y464 HydrophobicContact CB-CD1 3.92Å; P11-Y464 HydrophobicContact CB-CE1 4.13Å; P11-Y464 HydrophobicContact CG-CD1 3.64Å; P11-Y464 HydrophobicContact CG-CE1 3.83Å; P11-Y464 HydrophobicContact CG-CG 4.41Å; P11-Y464 CarbonylContact O-C 3.38Å; P11-Y464 VanDerWaalsContact O-CA 3.28Å; P11-Y464 WeakPolarHBondContact O-CA 3.46Å; P11-K465 PolarHBondContact O-N 3.11Å
12E97.6Very high80.2Confident108 Ų10884.3 Ų84.351%0.50544%0.437SS..BIsolated β-bridgetrans-77.4138.1176.9-68.9-71.7147.800111.1K465E12-K465 CarbonylContact C-O 3.59Å; E12-K465 VanDerWaalsContact CA-O 3.29Å; E12-K465 WeakPolarHBondContact CA-O 3.38Å
13A98.3Very high83Confident8 Ų880.2 Ų80.27%0.06642%0.415CS..PPolyproline II helixtrans-76.9151169.100000110.6V42 K465 L466A13-V42 HydrophobicContact CB-CG2 4.11Å; A13-V42 WeakPolarHBondContact CB-O 3.45Å; A13-K465 PolarHBondContact N-O 3.18Å; A13-L466 HydrophobicContact CB-CB 4.25Å; A13-L466 HydrophobicContact CB-CD2 3.88Å; A13-L466 HydrophobicContact CB-CG 4.46Å
14P98.3Very high85.5Confident25 Ų2584.1 Ų84.116%0.16241%0.411CS..PPolyproline II helixtrans-60.5145.6-176.9-2937.8000114.9L16 Y37 Y40 V43 K44P14-L16 HydrophobicContact CB-CD2 4.08Å; P14-Y37 HydrophobicContact CB-CD1 3.95Å; P14-Y37 HydrophobicContact CB-CE1 3.83Å; P14-Y37 HydrophobicContact CG-CD1 3.86Å; P14-Y37 HydrophobicContact CG-CE1 4Å; P14-Y40 VanDerWaalsContact CD-CD1 3.44Å; P14-Y40 VanDerWaalsContact CD-CG 3.41Å; P14-Y40 HydrophobicContact CG-CD1 4.04Å; P14-Y40 HydrophobicContact CG-CD2 3.68Å; P14-Y40 HydrophobicContact CG-CE1 3.89Å; P14-Y40 HydrophobicContact CG-CE2 3.54Å; P14-Y40 HydrophobicContact CG-CG 3.94Å; P14-V43 HydrophobicContact CB-CG1 4.24Å; P14-V43 HydrophobicContact CG-CG1 4.43Å; P14-K44 PolarHBondContact O-N 3.49Å
15A98.4Very high88.1Confident44 Ų4480.7 Ų80.736%0.36440%0.398SS..EExtended strand (participates in β ladder)trans-114.4109.7171.600000110K44 I46A15-K44 CarbonylContact C-O 3.54Å; A15-K44 WeakPolarHBondContact CA-O 3.35Å; A15-I46 HydrophobicContact CB-CD1 4.28Å
16L98.4Very high90.4Very high19 Ų1974.1 Ų74.110%0.09937%0.367CS..EExtended strand (participates in β ladder)trans-101.2148.8-172.1-50.7-178000111.3P14 Y29 L33 Y37 K44 I46P14-L16 HydrophobicContact CB-CD2 4.08Å; L16-Y29 WeakPolarHBondContact CB-OH 3.25Å; L16-L33 HydrophobicContact CD1-CD1 3.83Å; L16-L33 HydrophobicContact CD1-CD2 3.52Å; L16-L33 HydrophobicContact CD1-CG 4.28Å; L16-Y37 HydrophobicContact CD1-CD1 4.25Å; L16-Y37 HydrophobicContact CD1-CD2 4.13Å; L16-Y37 HydrophobicContact CD1-CE1 4.1Å; L16-Y37 HydrophobicContact CD1-CE2 3.97Å; L16-Y37 HydrophobicContact CD1-CG 4.26Å; L16-Y37 HydrophobicContact CD2-CD1 4.37Å; L16-Y37 HydrophobicContact CD2-CE1 3.56Å; L16-Y37 HydrophobicContact CD2-CE2 4.35Å; L16-Y37 WeakPolarHBondContact CD2-OH 3.47Å; L16-Y37 HydrophobicContact CG-CE1 4.38Å; L16-K44 PolarHBondContact N-O 3.23Å; L16-I46 PolarHBondContact O-N 3.24Å
17R98.3Very high92.7Very high177 Ų17770.3 Ų70.367%0.66834%0.344SS*.  trans-127.596.2177.3-73.8176.9-17579.4-1.8108.8I46R17-I46 HydrophobicContact CG-CB 3.98Å; R17-I46 HydrophobicContact CG-CG2 4.43Å
18P97.4Very high94.8Very high10 Ų1063.2 Ų63.27%0.06533%0.328CS..  trans-61.3141.3177.623-31.7000110.2E22 F23 Y29 V45 I46P18-E22 HydrophobicContact CB-CB 3.93Å; P18-F23 HydrophobicContact CB-CB 4.47Å; P18-F23 HydrophobicContact CB-CD2 4.32Å; P18-F23 HydrophobicContact CG-CD2 3.69Å; P18-F23 HydrophobicContact CG-CE2 4.39Å; P18-Y29 HydrophobicContact CB-CD2 4.28Å; P18-Y29 HydrophobicContact CB-CE1 4.36Å; P18-Y29 HydrophobicContact CB-CE2 3.76Å; P18-Y29 HydrophobicContact CG-CE1 4.49Å; P18-V45 HydrophobicContact CG-CG1 3.89Å; P18-I46 WeakPolarHBondContact CD-O 3.4Å
19T96.1Very high96.3Very high76 Ų7661 Ų6147%0.46632%0.318SS..  trans-63.5163.3166.159.10000110.7E21 E22 F23T19-E21 PolarHBondContact O-N 3.21Å; T19-E22 WeakPolarHBondContact CG2-OE2 3.42Å; T19-E22 PolarHBondContact N-OE2 3.43Å; T19-E22 PolarHBondContact O-N 2.9Å; T19-E22 WeakPolarHBondContact OG1-CB 3.28Å; T19-E22 VanDerWaalsContact OG1-CG 3.28Å; T19-E22 WeakPolarHBondContact OG1-CG 3.22Å; T19-E22 PolarHBondContact OG1-N 3.45Å; T19-E22 PolarHBondContact OG1-OE2 3.48Å; T19-F23 WeakPolarHBondContact O-CB 3.33Å; T19-F23 PolarHBondContact O-N 3.24Å
20A93.2Very high96.8Very high81 Ų8153.6 Ų53.667%0.66928%0.283SS*.THydrogen-bonded Turntrans-57.3-31.9175.100000112.4R24A20-R24 WeakPolarHBondContact O-CG 3.5Å
21E95Very high96.8Very high110 Ų11054.9 Ų54.951%0.51429%0.293SS..THydrogen-bonded Turntrans-68.5-52.2175.5-17953.3-138.200111.9T19 F23 R24T19-E21 PolarHBondContact O-N 3.21Å; E21-F23 PolarHBondContact O-N 2.86Å; E21-R24 VanDerWaalsContact CD-CZ 3.47Å; E21-R24 VanDerWaalsContact CD-NE 3.35Å; E21-R24 WeakPolarHBondContact O-CB 3.06Å; E21-R24 WeakPolarHBondContact O-CG 3.26Å; E21-R24 PolarHBondContact O-N 3.4Å; E21-R24 IonicContact OE1-CZ 2.82Å; E21-R24 IonicContact OE1-NE 3.02Å; E21-R24 PolarHBondContact OE1-NE 3.02Å; E21-R24 VanDerWaalsContact OE1-NE 3.1Å; E21-R24 IonicContact OE1-NH2 3.8Å; E21-R24 PolarHBondContact OE1-NH2 2.99Å; E21-R24 IonicContact OE2-CZ 2.68Å; E21-R24 IonicContact OE2-NE 3.38Å; E21-R24 PolarHBondContact OE2-NE 2.66Å; E21-R24 IonicContact OE2-NH1 2.9Å; E21-R24 IonicContact OE2-NH2 2.8Å; E21-R24 PolarHBondContact OE2-NH2 2.76Å
22E95.7Very high96.7Very high52 Ų5258.7 Ų58.724%0.24330%0.304CS..G310 helixtrans-61.8-28.4176.7-72.7168.5136.500112.4P18 T19 R24 Y29 K32P18-E22 HydrophobicContact CB-CB 3.93Å; T19-E22 WeakPolarHBondContact CG2-OE2 3.42Å; T19-E22 PolarHBondContact N-OE2 3.43Å; T19-E22 PolarHBondContact O-N 2.9Å; T19-E22 WeakPolarHBondContact OG1-CB 3.28Å; T19-E22 VanDerWaalsContact OG1-CG 3.28Å; T19-E22 WeakPolarHBondContact OG1-CG 3.22Å; T19-E22 PolarHBondContact OG1-N 3.45Å; T19-E22 PolarHBondContact OG1-OE2 3.48Å; E22-R24 PolarHBondContact O-N 3.41Å; E22-Y29 HydrophobicContact CB-CD2 3.81Å; E22-Y29 HydrophobicContact CB-CE2 4.19Å; E22-Y29 HydrophobicContact CG-CD2 4.3Å; E22-K32 IonicContact OE1-NZ 2.99Å; E22-K32 PolarHBondContact OE1-NZ 3.49Å
23F95.9Very high96.7Very high23 Ų2353.9 Ų53.910%0.10128%0.282CS..G310 helixtrans-76.5-0.4176.5-154.3-105.6000113.4P18 T19 E21 P47 P48 W51 W354 F473P18-F23 HydrophobicContact CB-CB 4.47Å; P18-F23 HydrophobicContact CB-CD2 4.32Å; P18-F23 HydrophobicContact CG-CD2 3.69Å; P18-F23 HydrophobicContact CG-CE2 4.39Å; T19-F23 WeakPolarHBondContact O-CB 3.33Å; T19-F23 PolarHBondContact O-N 3.24Å; E21-F23 PolarHBondContact O-N 2.86Å; F23-P47 HydrophobicContact CD2-CB 4.49Å; F23-P47 HydrophobicContact CE2-CB 3.55Å; F23-P47 HydrophobicContact CZ-CB 3.65Å; F23-P48 HydrophobicContact CB-CG 3.9Å; F23-P48 HydrophobicContact CD1-CG 4.06Å; F23-P48 VanDerWaalsContact CD2-CD 3.42Å; F23-P48 HydrophobicContact CD2-CG 4.11Å; F23-P48 HydrophobicContact CG-CG 3.76Å; F23-W51 HydrophobicContact CE1-CB 3.97Å; F23-W51 AromaticContact CE1-CD2 3.95Å; F23-W51 HydrophobicContact CE1-CD2 3.95Å; F23-W51 AromaticContact CE1-CE3 3.93Å; F23-W51 HydrophobicContact CE1-CE3 3.93Å; F23-W51 HydrophobicContact CE1-CG 4.01Å; F23-W51 HydrophobicContact CZ-CB 4Å; F23-W51 AromaticContact CZ-CD2 3.88Å; F23-W51 HydrophobicContact CZ-CD2 3.88Å; F23-W51 HydrophobicContact CZ-CE3 4.3Å; F23-W51 AromaticContact CZ-CG 3.76Å; F23-W51 HydrophobicContact CZ-CG 3.76Å; F23-W354 AromaticContact CD1-CD1 3.86Å; F23-W354 HydrophobicContact CD1-CG 4.39Å; F23-W354 AromaticContact CD1-NE1 3.86Å; F23-W354 AromaticContact CD2-CD2 3.85Å; F23-W354 HydrophobicContact CD2-CD2 3.85Å; F23-W354 AromaticContact CD2-CE2 3.29Å; F23-W354 HydrophobicContact CD2-CE3 4.41Å; F23-W354 HydrophobicContact CD2-CG 4.36Å; F23-W354 HydrophobicContact CD2-CH2 4.01Å; F23-W354 AromaticContact CD2-CZ2 3.39Å; F23-W354 HydrophobicContact CD2-CZ2 3.39Å; F23-W354 HydrophobicContact CD2-CZ3 4.48Å; F23-W354 AromaticContact CD2-NE1 3.54Å; F23-W354 HydrophobicContact CE1-CB 4.3Å; F23-W354 AromaticContact CE1-CD1 3.72Å; F23-W354 HydrophobicContact CE1-CD2 4.25Å; F23-W354 AromaticContact CE1-CG 3.83Å; F23-W354 HydrophobicContact CE1-CG 3.83Å; F23-W354 AromaticContact CE2-CD2 3.31Å; F23-W354 HydrophobicContact CE2-CD2 3.31Å; F23-W354 AromaticContact CE2-CE2 3.29Å; F23-W354 AromaticContact CE2-CE3 3.63Å; F23-W354 HydrophobicContact CE2-CE3 3.63Å; F23-W354 AromaticContact CE2-CG 3.81Å; F23-W354 HydrophobicContact CE2-CG 3.81Å; F23-W354 AromaticContact CE2-CH2 3.89Å; F23-W354 HydrophobicContact CE2-CH2 3.89Å; F23-W354 AromaticContact CE2-CZ2 3.61Å; F23-W354 HydrophobicContact CE2-CZ2 3.61Å; F23-W354 AromaticContact CE2-CZ3 3.9Å; F23-W354 HydrophobicContact CE2-CZ3 3.9Å; F23-W354 AromaticContact CE2-NE1 3.76Å; F23-W354 AromaticContact CG-CE2 3.88Å; F23-W354 HydrophobicContact CG-CZ2 4.24Å; F23-W354 AromaticContact CG-NE1 3.6Å; F23-W354 HydrophobicContact CZ-CB 4.01Å; F23-W354 AromaticContact CZ-CD1 3.81Å; F23-W354 AromaticContact CZ-CD2 3.54Å; F23-W354 HydrophobicContact CZ-CD2 3.54Å; F23-W354 AromaticContact CZ-CE2 3.87Å; F23-W354 HydrophobicContact CZ-CE3 4.03Å; F23-W354 AromaticContact CZ-CG 3.51Å; F23-W354 HydrophobicContact CZ-CG 3.51Å; F23-W354 PolarHBondContact O-NE1 3.03Å; F23-F473 HydrophobicContact CE2-CE2 4.48Å; F23-F473 HydrophobicContact CZ-CE2 4.42Å
24R95.3Very high96.5Very high166 Ų16654.6 Ų54.663%0.62629%0.286SS*.G310 helixtrans-78.5-31.9175.1-61.8-161.7-64.6-177.83113.4A20 E21 E22 P353A20-R24 WeakPolarHBondContact O-CG 3.5Å; E21-R24 VanDerWaalsContact CD-CZ 3.47Å; E21-R24 VanDerWaalsContact CD-NE 3.35Å; E21-R24 WeakPolarHBondContact O-CB 3.06Å; E21-R24 WeakPolarHBondContact O-CG 3.26Å; E21-R24 PolarHBondContact O-N 3.4Å; E21-R24 IonicContact OE1-CZ 2.82Å; E21-R24 IonicContact OE1-NE 3.02Å; E21-R24 PolarHBondContact OE1-NE 3.02Å; E21-R24 VanDerWaalsContact OE1-NE 3.1Å; E21-R24 IonicContact OE1-NH2 3.8Å; E21-R24 PolarHBondContact OE1-NH2 2.99Å; E21-R24 IonicContact OE2-CZ 2.68Å; E21-R24 IonicContact OE2-NE 3.38Å; E21-R24 PolarHBondContact OE2-NE 2.66Å; E21-R24 IonicContact OE2-NH1 2.9Å; E21-R24 IonicContact OE2-NH2 2.8Å; E21-R24 PolarHBondContact OE2-NH2 2.76Å; E22-R24 PolarHBondContact O-N 3.41Å; R24-P353 WeakPolarHBondContact O-CG 3.41Å
25D96.2Very high96.3Very high82 Ų8258.5 Ų58.544%0.43932%0.32SS..  trans-129.897.5-177.4-172.2-20.6000110.5I27 A28 Y29D25-I27 VanDerWaalsContact C-N 3.3Å; D25-I27 PolarHBondContact O-N 2.86Å; D25-I27 PolarHBondContact OD1-N 3.16Å; D25-A28 HydrophobicContact CB-CB 3.95Å; D25-A28 VanDerWaalsContact CG-CB 3.48Å; D25-A28 PolarHBondContact OD1-N 3.05Å; D25-Y29 WeakPolarHBondContact O-CB 3.35Å; D25-Y29 PolarHBondContact O-N 3.37Å
26P97.2Very high96.1Very high0 Ų058.3 Ų58.30%032%0.322CS..Hα-helixtrans-65.6-30.7-18025.4-32.9000112.9Y29 I30 P353 W354 M359 L362P26-Y29 PolarHBondContact O-N 2.82Å; P26-I30 WeakPolarHBondContact O-CB 3.48Å; P26-I30 WeakPolarHBondContact O-CD1 3.35Å; P26-I30 WeakPolarHBondContact O-CG1 3.19Å; P26-I30 PolarHBondContact O-N 3.47Å; P26-P353 HydrophobicContact CG-CB 3.79Å; P26-P353 HydrophobicContact CG-CG 4.37Å; P26-W354 HydrophobicContact CB-CD2 3.91Å; P26-W354 HydrophobicContact CB-CE3 4.39Å; P26-W354 HydrophobicContact CB-CG 4.31Å; P26-W354 HydrophobicContact CB-CH2 4.44Å; P26-W354 HydrophobicContact CB-CZ2 3.94Å; P26-M359 HydrophobicContact CB-CE 3.57Å; P26-M359 HydrophobicContact CB-SD 4.19Å; P26-M359 HydrophobicContact CG-CE 3.88Å; P26-M359 HydrophobicContact CG-CG 4.48Å; P26-L362 HydrophobicContact CG-CD1 3.61Å
27I97.6Very high96.1Very high10 Ų1061 Ų615%0.05133%0.332CS..Hα-helixtrans-70-49.2-179.3-55.4-53.2000109.2D25 Y29 I30 S31 M359 L362 G364 V497 P499D25-I27 VanDerWaalsContact C-N 3.3Å; D25-I27 PolarHBondContact O-N 2.86Å; D25-I27 PolarHBondContact OD1-N 3.16Å; I27-Y29 VanDerWaalsContact C-N 3.27Å; I27-Y29 PolarHBondContact O-N 3.46Å; I27-I30 PolarHBondContact O-N 3.01Å; I27-S31 VanDerWaalsContact O-CB 3.29Å; I27-S31 WeakPolarHBondContact O-CB 3.47Å; I27-S31 PolarHBondContact O-N 2.93Å; I27-M359 HydrophobicContact CD1-CG 4.08Å; I27-L362 HydrophobicContact CD1-CB 4.31Å; I27-L362 HydrophobicContact CD1-CD1 4.04Å; I27-L362 HydrophobicContact CG1-CB 3.91Å; I27-L362 HydrophobicContact CG1-CD1 3.85Å; I27-G364 WeakPolarHBondContact CG2-O 3.17Å; I27-V497 HydrophobicContact CD1-CG1 3.33Å; I27-P499 HydrophobicContact CG2-CB 4.02Å; I27-P499 HydrophobicContact CG2-CG 4.23Å
28A96.3Very high96.1Very high52 Ų5254.1 Ų54.143%0.4331%0.312SS..Hα-helixtrans-61.8-38.6176.600000111.5D25 S31 K32D25-A28 HydrophobicContact CB-CB 3.95Å; D25-A28 VanDerWaalsContact CG-CB 3.48Å; D25-A28 PolarHBondContact OD1-N 3.05Å; A28-S31 PolarHBondContact O-N 2.95Å; A28-K32 WeakPolarHBondContact O-CB 3.34Å; A28-K32 PolarHBondContact O-N 3.02Å
29Y97.5Very high96.1Very high13 Ų1358.7 Ų58.75%0.05133%0.333CS..Hα-helixtrans-63.1-53.1175.6-178.5-107.6000112.2L16 P18 E22 D25 P26 I27 S31 K32 L33 V45 W354L16-Y29 WeakPolarHBondContact CB-OH 3.25Å; P18-Y29 HydrophobicContact CB-CD2 4.28Å; P18-Y29 HydrophobicContact CB-CE1 4.36Å; P18-Y29 HydrophobicContact CB-CE2 3.76Å; P18-Y29 HydrophobicContact CG-CE1 4.49Å; E22-Y29 HydrophobicContact CB-CD2 3.81Å; E22-Y29 HydrophobicContact CB-CE2 4.19Å; E22-Y29 HydrophobicContact CG-CD2 4.3Å; D25-Y29 WeakPolarHBondContact O-CB 3.35Å; D25-Y29 PolarHBondContact O-N 3.37Å; P26-Y29 PolarHBondContact O-N 2.82Å; I27-Y29 VanDerWaalsContact C-N 3.27Å; I27-Y29 PolarHBondContact O-N 3.46Å; Y29-S31 PolarHBondContact O-N 2.81Å; Y29-K32 WeakPolarHBondContact O-CB 3.34Å; Y29-K32 PolarHBondContact O-N 3.47Å; Y29-L33 HydrophobicContact CD1-CD1 4.29Å; Y29-L33 HydrophobicContact CE1-CD1 3.79Å; Y29-L33 HydrophobicContact CE1-CD2 4.44Å; Y29-L33 HydrophobicContact CE1-CG 4.32Å; Y29-L33 HydrophobicContact CE2-CD2 4.22Å; Y29-L33 WeakPolarHBondContact O-CG 3.27Å; Y29-L33 PolarHBondContact O-N 3.07Å; Y29-V45 HydrophobicContact CE1-CG1 3.88Å; Y29-V45 HydrophobicContact CE1-CG2 3.94Å; Y29-W354 AromaticContact CD1-CH2 3.73Å; Y29-W354 HydrophobicContact CD1-CH2 3.73Å; Y29-W354 HydrophobicContact CD1-CZ2 4.03Å; Y29-W354 HydrophobicContact CE1-CH2 4.13Å; Y29-W354 HydrophobicContact CG-CZ2 4.46Å
30I97.4Very high96.2Very high2 Ų257.6 Ų57.61%0.0132%0.321CS..Hα-helixtrans-56.2-44177.3-68.2164.3000109.8P26 I27 K32 L33 M359 Y401 I403 I475 V497 P499P26-I30 WeakPolarHBondContact O-CB 3.48Å; P26-I30 WeakPolarHBondContact O-CD1 3.35Å; P26-I30 WeakPolarHBondContact O-CG1 3.19Å; P26-I30 PolarHBondContact O-N 3.47Å; I27-I30 PolarHBondContact O-N 3.01Å; I30-K32 PolarHBondContact O-N 3.34Å; I30-L33 WeakPolarHBondContact O-CB 3.42Å; I30-L33 PolarHBondContact O-N 3.46Å; I30-M359 HydrophobicContact CD1-SD 4.08Å; I30-Y401 HydrophobicContact CG2-CD1 3.7Å; I30-Y401 HydrophobicContact CG2-CE1 4Å; I30-Y401 HydrophobicContact CG2-CG 4.36Å; I30-I403 HydrophobicContact CD1-CD1 4.36Å; I30-I475 HydrophobicContact CG1-CD1 3.82Å; I30-V497 HydrophobicContact CD1-CG1 4.42Å; I30-P499 HydrophobicContact CB-CG 4.35Å; I30-P499 HydrophobicContact CG2-CG 3.91Å
31S96Very high96.4Very high39 Ų3953.8 Ų53.827%0.27329%0.289SS..Hα-helixtrans-59.6-45.3-179.6-175.50000113I27 A28 Y29 L33 T34 E501I27-S31 VanDerWaalsContact O-CB 3.29Å; I27-S31 WeakPolarHBondContact O-CB 3.47Å; I27-S31 PolarHBondContact O-N 2.93Å; A28-S31 PolarHBondContact O-N 2.95Å; Y29-S31 PolarHBondContact O-N 2.81Å; S31-L33 PolarHBondContact O-N 2.91Å; S31-T34 WeakPolarHBondContact O-CB 3.39Å; S31-T34 PolarHBondContact O-N 2.86Å; S31-T34 PolarHBondContact O-OG1 3.48Å; S31-E501 WeakPolarHBondContact CA-OE1 3.4Å; S31-E501 WeakPolarHBondContact CB-OE2 3.44Å; S31-E501 VanDerWaalsContact OG-CD 3.3Å; S31-E501 PolarHBondContact OG-OE1 2.79Å; S31-E501 PolarHBondContact OG-OE2 2.73Å
32K95.5Very high96.6Very high135 Ų13548.5 Ų48.559%0.58726%0.264SS*.Hα-helixtrans-58.5-30.2174.4177.1-176.1173.5-176.60112.9E22 A28 Y29 I30E22-K32 IonicContact OE1-NZ 2.99Å; E22-K32 PolarHBondContact OE1-NZ 3.49Å; A28-K32 WeakPolarHBondContact O-CB 3.34Å; A28-K32 PolarHBondContact O-N 3.02Å; Y29-K32 WeakPolarHBondContact O-CB 3.34Å; Y29-K32 PolarHBondContact O-N 3.47Å; I30-K32 PolarHBondContact O-N 3.34Å
33L97.1Very high96.8Very high7 Ų746 Ų464%0.03725%0.253CS..Hα-helixtrans-71.7-29.5-178.4-60.8-173.7000112.9L16 Y29 I30 S31 A35 G36 Y37 V43 V45 I475 F477L16-L33 HydrophobicContact CD1-CD1 3.83Å; L16-L33 HydrophobicContact CD1-CD2 3.52Å; L16-L33 HydrophobicContact CD1-CG 4.28Å; Y29-L33 HydrophobicContact CD1-CD1 4.29Å; Y29-L33 HydrophobicContact CE1-CD1 3.79Å; Y29-L33 HydrophobicContact CE1-CD2 4.44Å; Y29-L33 HydrophobicContact CE1-CG 4.32Å; Y29-L33 HydrophobicContact CE2-CD2 4.22Å; Y29-L33 WeakPolarHBondContact O-CG 3.27Å; Y29-L33 PolarHBondContact O-N 3.07Å; I30-L33 WeakPolarHBondContact O-CB 3.42Å; I30-L33 PolarHBondContact O-N 3.46Å; S31-L33 PolarHBondContact O-N 2.91Å; L33-A35 PolarHBondContact O-N 3.21Å; L33-G36 PolarHBondContact O-N 3.49Å; L33-G36 VanDerWaalsContact O-N 3.16Å; L33-Y37 HydrophobicContact CB-CD2 4.08Å; L33-Y37 HydrophobicContact CD2-CD2 3.84Å; L33-Y37 HydrophobicContact CD2-CE2 3.96Å; L33-Y37 WeakPolarHBondContact O-CB 3.31Å; L33-Y37 WeakPolarHBondContact O-CD2 3.43Å; L33-Y37 PolarHBondContact O-N 2.9Å; L33-V43 HydrophobicContact CD1-CG2 4.2Å; L33-V45 HydrophobicContact CD1-CG2 4.41Å; L33-I475 HydrophobicContact CD1-CD1 3.86Å; L33-F477 HydrophobicContact CB-CE1 4.23Å; L33-F477 HydrophobicContact CB-CZ 4.2Å
34T94.8Very high96.9Very high24 Ų2446.3 Ų46.315%0.14725%0.254CS..Hα-helixtrans-51-52.4-171.2-59.10000112.5S31 G36 A38 Y401 E501S31-T34 WeakPolarHBondContact O-CB 3.39Å; S31-T34 PolarHBondContact O-N 2.86Å; S31-T34 PolarHBondContact O-OG1 3.48Å; T34-G36 VanDerWaalsContact C-N 3.32Å; T34-G36 PolarHBondContact O-N 3.12Å; T34-A38 HydrophobicContact CG2-CB 4.45Å; T34-A38 WeakPolarHBondContact O-CB 3.44Å; T34-A38 PolarHBondContact O-N 2.87Å; T34-A38 VanDerWaalsContact O-N 3.11Å; T34-Y401 VanDerWaalsContact CG2-OH 3.28Å; T34-Y401 WeakPolarHBondContact CG2-OH 3.35Å; T34-Y401 PolarHBondContact OG1-OH 3.25Å; T34-E501 HydrophobicContact CG2-CG 4.21Å; T34-E501 PolarHBondContact OG1-OE1 3.46Å
35A92.7Very high97.1Very high106 Ų10638.4 Ų38.488%0.87622%0.224SC*.Hα-helixtrans-62.7-33.5-175.600000114.2L33L33-A35 PolarHBondContact O-N 3.21Å
36G94.6Very high97.2Very high40 Ų4036.1 Ų36.141%0.41221%0.212SC..Hα-helixtrans-98.6-20.1-17600000114.8L33 T34L33-G36 PolarHBondContact O-N 3.49Å; L33-G36 VanDerWaalsContact O-N 3.16Å; T34-G36 VanDerWaalsContact C-N 3.32Å; T34-G36 PolarHBondContact O-N 3.12Å
37Y98.3Very high97.2Very high76 Ų7636.9 Ų36.930%0.29822%0.217SC..Hα-helixtrans-128.6-11-165-63.9-79000115.1P14 L16 L33 Q39 Y40 V43 F477P14-Y37 HydrophobicContact CB-CD1 3.95Å; P14-Y37 HydrophobicContact CB-CE1 3.83Å; P14-Y37 HydrophobicContact CG-CD1 3.86Å; P14-Y37 HydrophobicContact CG-CE1 4Å; L16-Y37 HydrophobicContact CD1-CD1 4.25Å; L16-Y37 HydrophobicContact CD1-CD2 4.13Å; L16-Y37 HydrophobicContact CD1-CE1 4.1Å; L16-Y37 HydrophobicContact CD1-CE2 3.97Å; L16-Y37 HydrophobicContact CD1-CG 4.26Å; L16-Y37 HydrophobicContact CD2-CD1 4.37Å; L16-Y37 HydrophobicContact CD2-CE1 3.56Å; L16-Y37 HydrophobicContact CD2-CE2 4.35Å; L16-Y37 WeakPolarHBondContact CD2-OH 3.47Å; L16-Y37 HydrophobicContact CG-CE1 4.38Å; L33-Y37 HydrophobicContact CB-CD2 4.08Å; L33-Y37 HydrophobicContact CD2-CD2 3.84Å; L33-Y37 HydrophobicContact CD2-CE2 3.96Å; L33-Y37 WeakPolarHBondContact O-CB 3.31Å; L33-Y37 WeakPolarHBondContact O-CD2 3.43Å; L33-Y37 PolarHBondContact O-N 2.9Å; Y37-Q39 PolarHBondContact O-N 3.36Å; Y37-Q39 VanDerWaalsContact O-N 3.11Å; Y37-Y40 HydrophobicContact CD1-CD2 4.2Å; Y37-Y40 HydrophobicContact CD1-CE2 4.13Å; Y37-Y40 WeakPolarHBondContact O-CD2 3.29Å; Y37-Y40 PolarHBondContact O-N 2.96Å; Y37-V43 HydrophobicContact CD1-CG1 3.96Å; Y37-V43 HydrophobicContact CG-CG1 4.15Å; Y37-F477 VanDerWaalsContact O-CE2 3.31Å; Y37-F477 WeakPolarHBondContact O-CE2 3.29Å
38A97.6Very high97.1Very high32 Ų3237.7 Ų37.726%0.26422%0.223SC..G310 helixtrans-59.2-26.317700000113.2T34 Y40 G41 F477T34-A38 HydrophobicContact CG2-CB 4.45Å; T34-A38 WeakPolarHBondContact O-CB 3.44Å; T34-A38 PolarHBondContact O-N 2.87Å; T34-A38 VanDerWaalsContact O-N 3.11Å; A38-Y40 PolarHBondContact O-N 3.2Å; A38-Y40 VanDerWaalsContact O-N 3.09Å; A38-G41 PolarHBondContact O-N 2.81Å; A38-F477 HydrophobicContact CB-CB 4.36Å; A38-F477 HydrophobicContact CB-CD1 4Å; A38-F477 HydrophobicContact CB-CE1 4.5Å; A38-F477 HydrophobicContact CB-CG 4.08Å
39Q97.9Very high96.9Very high106 Ų10639.4 Ų39.450%0.49524%0.236SC..G310 helixtrans-62.8-12.3175.971-179.821.600114.8Y37 P418 Y464Y37-Q39 PolarHBondContact O-N 3.36Å; Y37-Q39 VanDerWaalsContact O-N 3.11Å; Q39-P418 WeakPolarHBondContact O-CB 3.34Å; Q39-P418 WeakPolarHBondContact O-CG 3.39Å; Q39-Y464 VanDerWaalsContact O-CE2 3.32Å; Q39-Y464 WeakPolarHBondContact O-CE2 3.47Å
40Y98.5Very high96.6Very high54 Ų5445.1 Ų45.121%0.21227%0.273CS..G310 helixtrans-95.6-13.5175.4-60.6-81.9000113P14 Y37 A38 V42 Y464P14-Y40 VanDerWaalsContact CD-CD1 3.44Å; P14-Y40 VanDerWaalsContact CD-CG 3.41Å; P14-Y40 HydrophobicContact CG-CD1 4.04Å; P14-Y40 HydrophobicContact CG-CD2 3.68Å; P14-Y40 HydrophobicContact CG-CE1 3.89Å; P14-Y40 HydrophobicContact CG-CE2 3.54Å; P14-Y40 HydrophobicContact CG-CG 3.94Å; Y37-Y40 HydrophobicContact CD1-CD2 4.2Å; Y37-Y40 HydrophobicContact CD1-CE2 4.13Å; Y37-Y40 WeakPolarHBondContact O-CD2 3.29Å; Y37-Y40 PolarHBondContact O-N 2.96Å; A38-Y40 PolarHBondContact O-N 3.2Å; A38-Y40 VanDerWaalsContact O-N 3.09Å; Y40-V42 WeakPolarHBondContact CB-O 3.47Å; Y40-V42 PolarHBondContact O-N 3.29Å; Y40-Y464 AromaticContact CD1-CD1 3.55Å; Y40-Y464 HydrophobicContact CD1-CD1 3.55Å; Y40-Y464 HydrophobicContact CD1-CD2 4.23Å; Y40-Y464 AromaticContact CD1-CE1 3.49Å; Y40-Y464 HydrophobicContact CD1-CE1 3.49Å; Y40-Y464 VanDerWaalsContact CD1-CE1 3.49Å; Y40-Y464 HydrophobicContact CD1-CE2 4.19Å; Y40-Y464 AromaticContact CD1-CG 3.92Å; Y40-Y464 HydrophobicContact CD1-CG 3.92Å; Y40-Y464 AromaticContact CD1-CZ 3.83Å; Y40-Y464 HydrophobicContact CE1-CD1 4.13Å; Y40-Y464 AromaticContact CE1-CE1 3.76Å; Y40-Y464 HydrophobicContact CE1-CE1 3.76Å; Y40-Y464 WeakPolarHBondContact O-CD2 3.33Å
41G98.3Very high96.4Very high0 Ų046.2 Ų46.20%028%0.277CS..SBendtrans70.9-34.3-173.800000115A38 F477 S480A38-G41 PolarHBondContact O-N 2.81Å; G41-F477 WeakPolarHBondContact O-CD2 3.42Å; G41-F477 PolarHBondContact O-N 2.88Å; G41-S480 WeakPolarHBondContact CA-OG 3.25Å; G41-S480 WeakPolarHBondContact O-CB 3.38Å
42V98.6Very high96.2Very high0 Ų052.3 Ų52.30%030%0.298CS..EExtended strand (participates in β ladder)trans-136.3150.4174-61.70000111.4A13 Y40 L466 I475 T476 H482A13-V42 HydrophobicContact CB-CG2 4.11Å; A13-V42 WeakPolarHBondContact CB-O 3.45Å; Y40-V42 WeakPolarHBondContact CB-O 3.47Å; Y40-V42 PolarHBondContact O-N 3.29Å; V42-L466 HydrophobicContact CB-CD2 4.31Å; V42-L466 HydrophobicContact CG2-CD2 3.84Å; V42-L466 HydrophobicContact CG2-CG 4.38Å; V42-I475 VanDerWaalsContact CA-O 3.28Å; V42-I475 WeakPolarHBondContact CA-O 3.1Å; V42-T476 HydrophobicContact CG1-CG2 4.06Å; V42-H482 HydrophobicContact CG1-CB 4.07Å
43V98.7Very high96Very high0 Ų046.6 Ų46.60%028%0.275CS..EExtended strand (participates in β ladder)trans-138152168.4-74.90000111.3P14 L33 Y37 V474 I475 F477P14-V43 HydrophobicContact CB-CG1 4.24Å; P14-V43 HydrophobicContact CG-CG1 4.43Å; L33-V43 HydrophobicContact CD1-CG2 4.2Å; Y37-V43 HydrophobicContact CD1-CG1 3.96Å; Y37-V43 HydrophobicContact CG-CG1 4.15Å; V43-V474 CarbonylContact O-C 3.47Å; V43-V474 VanDerWaalsContact O-CA 3.32Å; V43-V474 WeakPolarHBondContact O-CA 3.15Å; V43-I475 HydrophobicContact CG2-CB 3.96Å; V43-I475 HydrophobicContact CG2-CD1 4.44Å; V43-I475 PolarHBondContact N-O 2.77Å; V43-I475 PolarHBondContact O-N 2.92Å; V43-F477 HydrophobicContact CB-CE2 4.4Å; V43-F477 HydrophobicContact CG1-CE2 4Å; V43-F477 HydrophobicContact CG1-CZ 4.38Å; V43-F477 HydrophobicContact CG2-CE2 3.78Å; V43-F477 HydrophobicContact CG2-CZ 3.81Å
44K98.6Very high95.6Very high28 Ų2852.7 Ų52.712%0.12230%0.303CS..EExtended strand (participates in β ladder)trans-98.1136.6170.9167.3169.352.5176.40110.3P14 A15 L16 I46 L466 H467 E472 F473P14-K44 PolarHBondContact O-N 3.49Å; A15-K44 CarbonylContact C-O 3.54Å; A15-K44 WeakPolarHBondContact CA-O 3.35Å; L16-K44 PolarHBondContact N-O 3.23Å; K44-I46 HydrophobicContact CD-CG1 4.24Å; K44-I46 HydrophobicContact CG-CG1 4.17Å; K44-L466 HydrophobicContact CB-CD1 4.45Å; K44-L466 HydrophobicContact CB-CD2 3.93Å; K44-H467 PolarHBondContact NZ-O 3.38Å; K44-E472 HydrophobicContact CD-CB 4.32Å; K44-E472 VanDerWaalsContact CD-CD 3.49Å; K44-E472 HydrophobicContact CD-CG 4.4Å; K44-E472 WeakPolarHBondContact CD-OE2 3.45Å; K44-E472 HydrophobicContact CG-CB 4.49Å; K44-E472 IonicContact NZ-OE1 2.63Å; K44-E472 IonicContact NZ-OE2 3.65Å; K44-E472 PolarHBondContact NZ-OE2 2.79Å; K44-F473 CarbonylContact C-O 3.6Å; K44-F473 WeakPolarHBondContact CA-O 3.42Å
45V98.6Very high95.5Very high0 Ų053.6 Ų53.60%031%0.305CS..EExtended strand (participates in β ladder)trans-118.1118.5173.6179.90000109P18 Y29 L33 P47 W354 F473 I475P18-V45 HydrophobicContact CG-CG1 3.89Å; Y29-V45 HydrophobicContact CE1-CG1 3.88Å; Y29-V45 HydrophobicContact CE1-CG2 3.94Å; L33-V45 HydrophobicContact CD1-CG2 4.41Å; V45-P47 WeakPolarHBondContact O-CD 3.3Å; V45-W354 HydrophobicContact CG1-CH2 4.19Å; V45-W354 HydrophobicContact CG1-CZ3 4.41Å; V45-F473 HydrophobicContact CB-CB 4.13Å; V45-F473 PolarHBondContact N-O 3.43Å; V45-F473 PolarHBondContact O-N 3.09Å; V45-I475 HydrophobicContact CG2-CD1 3.69Å; V45-I475 HydrophobicContact CG2-CG1 4.48Å
46I98.4Very high95.3Very high35 Ų3550.6 Ų50.618%0.17928%0.276CS..  trans-97.2106.9177.9-58171.6000107A15 L16 R17 P18 K44 E472A15-I46 HydrophobicContact CB-CD1 4.28Å; L16-I46 PolarHBondContact O-N 3.24Å; R17-I46 HydrophobicContact CG-CB 3.98Å; R17-I46 HydrophobicContact CG-CG2 4.43Å; P18-I46 WeakPolarHBondContact CD-O 3.4Å; K44-I46 HydrophobicContact CD-CG1 4.24Å; K44-I46 HydrophobicContact CG-CG1 4.17Å; I46-E472 HydrophobicContact CG1-CG 4.27Å
47P97.7Very high95Very high16 Ų1652 Ų5210%0.10427%0.269CS..  trans-69.3164.9-173.330.6-35.8000112.1F23 V45 W51 G471 F473F23-P47 HydrophobicContact CD2-CB 4.49Å; F23-P47 HydrophobicContact CE2-CB 3.55Å; F23-P47 HydrophobicContact CZ-CB 3.65Å; V45-P47 WeakPolarHBondContact O-CD 3.3Å; P47-W51 HydrophobicContact CB-CB 3.93Å; P47-W51 HydrophobicContact CB-CG 4.03Å; P47-W51 HydrophobicContact CG-CB 4.36Å; P47-W51 HydrophobicContact CG-CG 4.29Å; P47-G471 WeakPolarHBondContact CD-O 3.45Å; P47-G471 WeakPolarHBondContact CG-O 3.41Å; P47-F473 HydrophobicContact CB-CD2 4.36Å; P47-F473 HydrophobicContact CB-CE2 4.03Å; P47-F473 HydrophobicContact CG-CD2 4.22Å; P47-F473 HydrophobicContact CG-CE2 4.03Å
48P96.2Very high94.3Very high27 Ų2751.5 Ų51.518%0.17527%0.272CS..  trans-56149.6173.3-24.535.1000111.8F23 T50 W51F23-P48 HydrophobicContact CB-CG 3.9Å; F23-P48 HydrophobicContact CD1-CG 4.06Å; F23-P48 VanDerWaalsContact CD2-CD 3.42Å; F23-P48 HydrophobicContact CD2-CG 4.11Å; F23-P48 HydrophobicContact CG-CG 3.76Å; P48-T50 PolarHBondContact O-N 3.2Å; P48-W51 WeakPolarHBondContact O-CB 3.43Å; P48-W51 PolarHBondContact O-N 2.92Å
49A92.5Very high93.6Very high87 Ų8759.2 Ų59.272%0.71929%0.294SS*.THydrogen-bonded Turntrans-60.4-17.8-176.800000114.5W51 K52A49-W51 VanDerWaalsContact C-N 3.32Å; A49-K52 WeakPolarHBondContact O-CE 3.16Å
50T90.5Very high92.9Very high133 Ų13365 Ų6582%0.81631%0.311SS*.THydrogen-bonded Turntrans-73.3-21.6173.950.90000113P48 K52P48-T50 PolarHBondContact O-N 3.2Å; T50-K52 PolarHBondContact O-N 2.98Å
51W93.5Very high92.3Very high26 Ų2667.9 Ų67.910%0.09832%0.322CS..  trans-81.898.8175.8-177.1-102.4000110.6F23 P47 P48 A49 P53 F334 S352 W354 Y405 F473F23-W51 HydrophobicContact CE1-CB 3.97Å; F23-W51 AromaticContact CE1-CD2 3.95Å; F23-W51 HydrophobicContact CE1-CD2 3.95Å; F23-W51 AromaticContact CE1-CE3 3.93Å; F23-W51 HydrophobicContact CE1-CE3 3.93Å; F23-W51 HydrophobicContact CE1-CG 4.01Å; F23-W51 HydrophobicContact CZ-CB 4Å; F23-W51 AromaticContact CZ-CD2 3.88Å; F23-W51 HydrophobicContact CZ-CD2 3.88Å; F23-W51 HydrophobicContact CZ-CE3 4.3Å; F23-W51 AromaticContact CZ-CG 3.76Å; F23-W51 HydrophobicContact CZ-CG 3.76Å; P47-W51 HydrophobicContact CB-CB 3.93Å; P47-W51 HydrophobicContact CB-CG 4.03Å; P47-W51 HydrophobicContact CG-CB 4.36Å; P47-W51 HydrophobicContact CG-CG 4.29Å; P48-W51 WeakPolarHBondContact O-CB 3.43Å; P48-W51 PolarHBondContact O-N 2.92Å; A49-W51 VanDerWaalsContact C-N 3.32Å; W51-P53 HydrophobicContact CZ2-CB 4.4Å; W51-P53 HydrophobicContact CZ2-CG 4.16Å; W51-F334 HydrophobicContact CH2-CE1 4.47Å; W51-F334 HydrophobicContact CZ2-CD1 4.43Å; W51-F334 AromaticContact CZ2-CE1 3.72Å; W51-F334 HydrophobicContact CZ2-CE1 3.72Å; W51-S352 WeakPolarHBondContact CH2-OG 3.3Å; W51-S352 VanDerWaalsContact CZ3-CB 3.47Å; W51-S352 WeakPolarHBondContact CZ3-OG 3.43Å; W51-W354 HydrophobicContact CH2-CB 3.79Å; W51-W354 HydrophobicContact CZ2-CB 3.85Å; W51-W354 HydrophobicContact CZ3-CB 4.23Å; W51-Y405 AromaticContact NE1-CE2 3.64Å; W51-Y405 AromaticContact NE1-CZ 3.98Å; W51-F473 AromaticContact CD1-CE2 3.99Å; W51-F473 AromaticContact CE2-CZ 3.97Å; W51-F473 HydrophobicContact CZ2-CZ 4.16Å; W51-F473 AromaticContact NE1-CE2 3.56Å; W51-F473 AromaticContact NE1-CZ 3.48Å
52K90.6Very high91.9Very high166 Ų16668 Ų6872%0.72232%0.322SS*.  trans-135.969.2175.8-67-175.2-179.5177.40110.5A49 T50 H54A49-K52 WeakPolarHBondContact O-CE 3.16Å; T50-K52 PolarHBondContact O-N 2.98Å; K52-H54 PolarHBondContact O-N 3.49Å
53P91.7Very high91.6Very high15 Ų1571.1 Ų71.110%0.09734%0.341CS..  trans-60.8128.7178.130-37.9000109.8W51 F334 C349 Y405W51-P53 HydrophobicContact CZ2-CB 4.4Å; W51-P53 HydrophobicContact CZ2-CG 4.16Å; P53-F334 HydrophobicContact CB-CD1 3.82Å; P53-F334 HydrophobicContact CB-CE1 3.83Å; P53-F334 HydrophobicContact CG-CD1 4.31Å; P53-F334 HydrophobicContact CG-CE1 3.8Å; P53-C349 WeakPolarHBondContact CB-SG 3.23Å; P53-Y405 VanDerWaalsContact CD-OH 3.28Å; P53-Y405 WeakPolarHBondContact CD-OH 3.21Å; P53-Y405 HydrophobicContact CG-CE1 3.68Å; P53-Y405 HydrophobicContact CG-CE2 4.44Å; P53-Y405 VanDerWaalsContact CG-CZ 3.49Å; P53-Y405 WeakPolarHBondContact CG-OH 3.48Å
54H89.6Confident91.4Very high136 Ų13671.6 Ų71.663%0.6334%0.343SS*.  trans-73.7133171-101.8-117.3000109.6K52 V56 P335K52-H54 PolarHBondContact O-N 3.49Å; H54-V56 PolarHBondContact O-N 3.04Å; H54-P335 WeakPolarHBondContact O-CD 3.32Å
55F92.7Very high91.1Very high42 Ų4277.9 Ų77.918%0.18437%0.366CS..  trans-71.3115.1174.6-177.7-101.2000110.1Y57 F62 L275 G333 L382 H407 F408F55-Y57 AromaticContact CD1-CD1 3.55Å; F55-Y57 HydrophobicContact CD1-CD1 3.55Å; F55-Y57 HydrophobicContact CD1-CE1 4.16Å; F55-Y57 HydrophobicContact CD1-CG 4.35Å; F55-Y57 AromaticContact CE1-CD1 3.32Å; F55-Y57 HydrophobicContact CE1-CD1 3.32Å; F55-Y57 HydrophobicContact CE1-CE1 4.07Å; F55-Y57 AromaticContact CE1-CG 3.7Å; F55-Y57 HydrophobicContact CE1-CG 3.7Å; F55-Y57 HydrophobicContact CZ-CD1 4.48Å; F55-F62 HydrophobicContact CZ-CE2 4.01Å; F55-F62 HydrophobicContact CZ-CZ 4.44Å; F55-L275 HydrophobicContact CE1-CD2 3.66Å; F55-L275 HydrophobicContact CZ-CD2 4.23Å; F55-G333 CarbonylContact C-O 3.49Å; F55-G333 WeakPolarHBondContact CA-O 3.19Å; F55-L382 HydrophobicContact CE2-CD2 4.48Å; F55-H407 HydrophobicContact CB-CB 4.49Å; F55-H407 HydrophobicContact CD2-CB 3.64Å; F55-H407 AromaticContact CD2-CD2 3.84Å; F55-H407 AromaticContact CD2-CG 3.52Å; F55-H407 AromaticContact CD2-ND1 3.79Å; F55-H407 HydrophobicContact CE2-CB 4.27Å; F55-H407 AromaticContact CE2-CD2 3.95Å; F55-H407 HydrophobicContact CG-CB 4.39Å; F55-F408 HydrophobicContact CB-CD1 4.04Å; F55-F408 HydrophobicContact CB-CE1 4.28Å; F55-F408 HydrophobicContact CD1-CD1 4.09Å; F55-F408 AromaticContact CD1-CE1 3.48Å; F55-F408 HydrophobicContact CD1-CE1 3.48Å; F55-F408 VanDerWaalsContact CD1-CE1 3.48Å; F55-F408 HydrophobicContact CD1-CZ 4.49Å; F55-F408 HydrophobicContact CD2-CD1 4.12Å; F55-F408 AromaticContact CD2-CE1 3.79Å; F55-F408 HydrophobicContact CD2-CE1 3.79Å; F55-F408 AromaticContact CE1-CE1 3.61Å; F55-F408 HydrophobicContact CE1-CE1 3.61Å; F55-F408 HydrophobicContact CE1-CZ 4.29Å; F55-F408 AromaticContact CE2-CE1 3.89Å; F55-F408 HydrophobicContact CE2-CE1 3.89Å; F55-F408 AromaticContact CG-CD1 3.81Å; F55-F408 HydrophobicContact CG-CD1 3.81Å; F55-F408 AromaticContact CG-CE1 3.57Å; F55-F408 HydrophobicContact CG-CE1 3.57Å; F55-F408 AromaticContact CZ-CE1 3.81Å; F55-F408 HydrophobicContact CZ-CE1 3.81Å; F55-F408 HydrophobicContact CZ-CZ 4.45Å
56V89Confident90.9Very high44 Ų4477.9 Ų77.927%0.26737%0.366SS..  trans-105.3133.3178.9-179.90000109H54 S332 G333 P335H54-V56 PolarHBondContact O-N 3.04Å; V56-S332 VanDerWaalsContact O-O 3.13Å; V56-G333 PolarHBondContact N-O 2.7Å; V56-P335 HydrophobicContact CG2-CB 4.31Å; V56-P335 HydrophobicContact CG2-CG 3.77Å
57Y88.1Confident90.6Very high69 Ų6979.5 Ų79.527%0.27137%0.37SS..  trans-155.2150.2172.672.4-73.8000111.1F55 R59 F62 L275F55-Y57 AromaticContact CD1-CD1 3.55Å; F55-Y57 HydrophobicContact CD1-CD1 3.55Å; F55-Y57 HydrophobicContact CD1-CE1 4.16Å; F55-Y57 HydrophobicContact CD1-CG 4.35Å; F55-Y57 AromaticContact CE1-CD1 3.32Å; F55-Y57 HydrophobicContact CE1-CD1 3.32Å; F55-Y57 HydrophobicContact CE1-CE1 4.07Å; F55-Y57 AromaticContact CE1-CG 3.7Å; F55-Y57 HydrophobicContact CE1-CG 3.7Å; F55-Y57 HydrophobicContact CZ-CD1 4.48Å; Y57-R59 HydrophobicContact CD2-CG 4.41Å; Y57-R59 HydrophobicContact CE2-CB 4.4Å; Y57-R59 HydrophobicContact CE2-CG 3.65Å; Y57-F62 HydrophobicContact CD2-CB 3.83Å; Y57-F62 HydrophobicContact CD2-CD2 4.27Å; Y57-F62 HydrophobicContact CD2-CG 4.14Å; Y57-F62 HydrophobicContact CG-CD2 4.37Å; Y57-L275 HydrophobicContact CD1-CD2 4.4Å; Y57-L275 HydrophobicContact CD2-CD2 4.31Å; Y57-L275 HydrophobicContact CE1-CD2 4.21Å; Y57-L275 HydrophobicContact CE2-CB 4.36Å; Y57-L275 HydrophobicContact CE2-CD2 4.12Å; Y57-L275 HydrophobicContact CG-CD2 4.44Å
58D83.7Confident90.3Very high65 Ų6581.3 Ų81.335%0.34838%0.378SS..  trans-86.9115.6171179.2-20.8000109.5R60 R61 F62D58-R60 PolarHBondContact O-N 3.44Å; D58-R60 VanDerWaalsContact O-N 3.16Å; D58-R60 WeakPolarHBondContact OD1-CA 3.34Å; D58-R60 WeakPolarHBondContact OD1-CB 3.38Å; D58-R60 PolarHBondContact OD1-N 2.87Å; D58-R61 HydrophobicContact CB-CB 4.01Å; D58-R61 HydrophobicContact CB-CG 4.25Å; D58-R61 PolarHBondContact O-N 3.5Å; D58-R61 PolarHBondContact OD1-N 3.47Å; D58-R61 WeakPolarHBondContact OD2-CD 3.3Å; D58-R61 WeakPolarHBondContact OD2-CG 3.36Å; D58-F62 VanDerWaalsContact O-CB 3.25Å; D58-F62 WeakPolarHBondContact O-CB 3.39Å; D58-F62 PolarHBondContact O-N 2.9Å
59R82.5Confident90.1Very high195 Ų19580.1 Ų80.174%0.73637%0.371SS*.THydrogen-bonded Turntrans-58.2-27.6-179.8-70.2-177.6177.1-179.22.6114.1Y57Y57-R59 HydrophobicContact CD2-CG 4.41Å; Y57-R59 HydrophobicContact CE2-CB 4.4Å; Y57-R59 HydrophobicContact CE2-CG 3.65Å
60R82.9Confident90Very high226 Ų22679.4 Ų79.485%0.85335%0.351SS*.THydrogen-bonded Turntrans-83.5-36.5179.2-65.1-178175176.2-0.7111.6D58D58-R60 PolarHBondContact O-N 3.44Å; D58-R60 VanDerWaalsContact O-N 3.16Å; D58-R60 WeakPolarHBondContact OD1-CA 3.34Å; D58-R60 WeakPolarHBondContact OD1-CB 3.38Å; D58-R60 PolarHBondContact OD1-N 2.87Å
61R85.2Confident90Very high116 Ų11673.1 Ų73.144%0.43831%0.313SS..THydrogen-bonded Turntrans-85.7-29.5-179.3-66.2179.259.1-178.1-3.3113.7D58 V63 M328 D329 C331D58-R61 HydrophobicContact CB-CB 4.01Å; D58-R61 HydrophobicContact CB-CG 4.25Å; D58-R61 PolarHBondContact O-N 3.5Å; D58-R61 PolarHBondContact OD1-N 3.47Å; D58-R61 WeakPolarHBondContact OD2-CD 3.3Å; D58-R61 WeakPolarHBondContact OD2-CG 3.36Å; R61-V63 PolarHBondContact O-N 3.33Å; R61-M328 PolarHBondContact NH2-O 2.93Å; R61-D329 PolarHBondContact NE-O 3.43Å; R61-D329 PolarHBondContact NH2-O 3.12Å; R61-C331 VanDerWaalsContact CZ-SG 3.57Å; R61-C331 PolarHBondContact NH1-SG 2.73Å
62F90.7Very high89.7Confident1 Ų173.6 Ų73.60%0.00432%0.315CS..  trans-76.872.1-177.9-154.1-66.6000111F55 Y57 D58 F64 L275 V330 L382 V384F55-F62 HydrophobicContact CZ-CE2 4.01Å; F55-F62 HydrophobicContact CZ-CZ 4.44Å; Y57-F62 HydrophobicContact CD2-CB 3.83Å; Y57-F62 HydrophobicContact CD2-CD2 4.27Å; Y57-F62 HydrophobicContact CD2-CG 4.14Å; Y57-F62 HydrophobicContact CG-CD2 4.37Å; D58-F62 VanDerWaalsContact O-CB 3.25Å; D58-F62 WeakPolarHBondContact O-CB 3.39Å; D58-F62 PolarHBondContact O-N 2.9Å; F62-F64 AromaticContact CD1-CD1 3.93Å; F62-F64 HydrophobicContact CD1-CD1 3.93Å; F62-F64 HydrophobicContact CD1-CE1 4.13Å; F62-F64 AromaticContact CE1-CD1 3.73Å; F62-F64 HydrophobicContact CE1-CD1 3.73Å; F62-F64 AromaticContact CE1-CE1 3.78Å; F62-F64 HydrophobicContact CE1-CE1 3.78Å; F62-L275 HydrophobicContact CD1-CB 3.94Å; F62-L275 HydrophobicContact CE1-CB 4.17Å; F62-L275 HydrophobicContact CE1-CD1 4.03Å; F62-L275 HydrophobicContact CZ-CD1 4.47Å; F62-V330 HydrophobicContact CD2-CB 3.97Å; F62-V330 HydrophobicContact CD2-CG2 4.01Å; F62-V330 HydrophobicContact CE2-CB 4.45Å; F62-V330 HydrophobicContact CE2-CG2 3.99Å; F62-V330 HydrophobicContact CG-CB 4.27Å; F62-L382 HydrophobicContact CE2-CD1 3.66Å; F62-L382 HydrophobicContact CZ-CD1 4.1Å; F62-V384 HydrophobicContact CE1-CG2 3.94Å; F62-V384 HydrophobicContact CZ-CG2 4.01Å
63V92.5Very high89.5Confident66 Ų6669.6 Ų69.640%0.430%0.299SS..EExtended strand (participates in β ladder)trans-124.9124.3176-179.60000107.5R61 F273 T274R61-V63 PolarHBondContact O-N 3.33Å; V63-F273 WeakPolarHBondContact CA-O 3.41Å; V63-T274 HydrophobicContact CG2-CG2 4.23Å
64F93.4Very high89.3Confident10 Ų1069 Ų694%0.04429%0.294CS..EExtended strand (participates in β ladder)trans-136.2156.6-176.562.1-85.2000111.1F62 P66 S272 F273 F278 I325 V384F62-F64 AromaticContact CD1-CD1 3.93Å; F62-F64 HydrophobicContact CD1-CD1 3.93Å; F62-F64 HydrophobicContact CD1-CE1 4.13Å; F62-F64 AromaticContact CE1-CD1 3.73Å; F62-F64 HydrophobicContact CE1-CD1 3.73Å; F62-F64 AromaticContact CE1-CE1 3.78Å; F62-F64 HydrophobicContact CE1-CE1 3.78Å; F64-P66 HydrophobicContact CE2-CB 4.31Å; F64-S272 CarbonylContact O-C 3.51Å; F64-S272 WeakPolarHBondContact O-CA 2.95Å; F64-F273 HydrophobicContact CE1-CB 4.5Å; F64-F273 HydrophobicContact CE2-CB 4.45Å; F64-F273 HydrophobicContact CZ-CB 4.24Å; F64-F273 PolarHBondContact N-O 3.34Å; F64-F273 PolarHBondContact O-N 2.86Å; F64-F278 HydrophobicContact CE1-CB 4.49Å; F64-F278 AromaticContact CE2-CD2 3.88Å; F64-F278 HydrophobicContact CE2-CD2 3.88Å; F64-F278 HydrophobicContact CE2-CE2 4.18Å; F64-F278 HydrophobicContact CE2-CG 4.21Å; F64-F278 HydrophobicContact CZ-CB 3.78Å; F64-F278 HydrophobicContact CZ-CD1 4.28Å; F64-F278 AromaticContact CZ-CD2 3.82Å; F64-F278 HydrophobicContact CZ-CD2 3.82Å; F64-F278 HydrophobicContact CZ-CE2 4.47Å; F64-F278 AromaticContact CZ-CG 3.69Å; F64-F278 HydrophobicContact CZ-CG 3.69Å; F64-I325 HydrophobicContact CB-CD1 3.61Å; F64-I325 HydrophobicContact CB-CG1 4.04Å; F64-I325 HydrophobicContact CB-CG2 4.43Å; F64-I325 HydrophobicContact CD1-CD1 4.09Å; F64-I325 HydrophobicContact CD2-CD1 3.73Å; F64-I325 HydrophobicContact CE2-CD1 4.42Å; F64-I325 HydrophobicContact CG-CD1 3.54Å; F64-I325 HydrophobicContact CG-CG1 4.47Å; F64-V384 HydrophobicContact CE1-CB 4.4Å; F64-V384 HydrophobicContact CE1-CG1 4.44Å; F64-V384 HydrophobicContact CE1-CG2 4.07Å; F64-V384 HydrophobicContact CE2-CB 4.17Å; F64-V384 HydrophobicContact CZ-CB 3.82Å; F64-V384 HydrophobicContact CZ-CG1 3.81Å; F64-V384 HydrophobicContact CZ-CG2 4Å
65R93.4Very high89.2Confident160 Ų16063.5 Ų63.560%0.60427%0.27SS*.  trans-102.7109.3172.7-72.4-177.9-179.3156.8-1.2108.7S272R65-S272 VanDerWaalsContact CG-OG 3.23Å; R65-S272 WeakPolarHBondContact CG-OG 3.43Å; R65-S272 PolarHBondContact NE-OG 2.76Å
66P94.3Very high88.9Confident0 Ų061.5 Ų61.50%026%0.261CS..PPolyproline II helixtrans-69.9150.4178.629.2-33.4000111F64 D269 F273 F278 R320 Y321F64-P66 HydrophobicContact CE2-CB 4.31Å; P66-D269 HydrophobicContact CG-CB 4.11Å; P66-D269 WeakPolarHBondContact O-CB 3.45Å; P66-D269 PolarHBondContact O-N 3.1Å; P66-F273 HydrophobicContact CG-CD2 3.69Å; P66-F273 HydrophobicContact CG-CE2 3.95Å; P66-F278 HydrophobicContact CB-CE2 3.95Å; P66-F278 HydrophobicContact CG-CE2 4.14Å; P66-R320 HydrophobicContact CB-CB 3.86Å; P66-R320 HydrophobicContact CB-CG 4.38Å; P66-R320 HydrophobicContact CG-CB 4.11Å; P66-R320 HydrophobicContact CG-CG 4.17Å; P66-Y321 CarbonylContact C-O 3.51Å; P66-Y321 WeakPolarHBondContact CA-O 3.45Å
67R91.9Very high88.7Confident70 Ų7061.4 Ų61.426%0.26426%0.259SS..EExtended strand (participates in β ladder)trans-77.1136.3168.7-74.8176.9-173169.44.2110.3F266 R320 Y321 S323 D324R67-F266 HydrophobicContact CB-CB 3.67Å; R67-F266 HydrophobicContact CB-CG 4.27Å; R67-F266 HydrophobicContact CG-CB 3.84Å; R67-R320 CarbonylContact O-C 3.49Å; R67-R320 VanDerWaalsContact O-CA 3.29Å; R67-R320 WeakPolarHBondContact O-CA 3.48Å; R67-Y321 PolarHBondContact N-O 2.97Å; R67-Y321 PolarHBondContact O-N 3.2Å; R67-S323 WeakPolarHBondContact CD-OG 3.21Å; R67-D324 IonicContact CZ-OD2 2.75Å; R67-D324 IonicContact NH1-OD2 3.98Å; R67-D324 PolarHBondContact NH1-OD2 2.96Å; R67-D324 IonicContact NH2-OD2 3.31Å; R67-D324 PolarHBondContact NH2-OD2 3.09Å
68L91.1Very high88.4Confident53 Ų5358.7 Ų58.728%0.27725%0.249SC..EExtended strand (participates in β ladder)trans-84.5131172.9-65.7175.6000109.9R267 D269 T318 V319 R320L68-R267 PolarHBondContact N-O 3.22Å; L68-D269 HydrophobicContact CD1-CB 4.45Å; L68-D269 HydrophobicContact CD2-CB 4.12Å; L68-D269 HydrophobicContact CG-CB 4.06Å; L68-T318 HydrophobicContact CB-CG2 4.42Å; L68-T318 HydrophobicContact CD2-CG2 4.23Å; L68-V319 WeakPolarHBondContact CA-O 3.3Å; L68-R320 HydrophobicContact CD2-CG 3.76Å
69Q91.5Very high88.3Confident2 Ų256.8 Ų56.81%0.00924%0.237CC..EExtended strand (participates in β ladder)trans-129.6131.3179.4-43.6-175.8-49.600109.3F266 T318 V319 T390Q69-F266 HydrophobicContact CB-CD1 4.2Å; Q69-F266 HydrophobicContact CB-CE1 4Å; Q69-F266 HydrophobicContact CG-CD1 3.62Å; Q69-F266 HydrophobicContact CG-CE1 3.58Å; Q69-F266 HydrophobicContact CG-CG 4.42Å; Q69-F266 HydrophobicContact CG-CZ 4.39Å; Q69-T318 CarbonylContact O-C 3.59Å; Q69-T318 WeakPolarHBondContact O-CA 3.4Å; Q69-V319 HydrophobicContact CB-CG2 3.81Å; Q69-V319 HydrophobicContact CG-CG2 4.48Å; Q69-V319 PolarHBondContact N-O 3.48Å; Q69-V319 PolarHBondContact O-N 3.35Å; Q69-T390 PolarHBondContact NE2-O 3.03Å
70K90.4Very high88.2Confident73 Ų7347.6 Ų47.632%0.31720%0.202SC..  trans-102.3117.8162.1-59.3-168.2-153.8145.30107.6Y72 E73 T318K70-Y72 VanDerWaalsContact C-N 3.26Å; K70-Y72 HydrophobicContact CB-CD1 4.05Å; K70-Y72 HydrophobicContact CB-CE1 3.8Å; K70-Y72 HydrophobicContact CD-CE1 3.61Å; K70-Y72 HydrophobicContact CG-CE1 4.35Å; K70-Y72 PolarHBondContact NZ-OH 3.32Å; K70-Y72 PolarHBondContact O-N 3.49Å; K70-Y72 VanDerWaalsContact O-N 3.16Å; K70-E73 HydrophobicContact CB-CB 4.16Å; K70-E73 HydrophobicContact CB-CG 3.84Å; K70-E73 HydrophobicContact CD-CG 4.33Å; K70-E73 WeakPolarHBondContact CD-OE1 3.26Å; K70-E73 WeakPolarHBondContact CE-OE1 3.25Å; K70-E73 IonicContact NZ-OE1 3.38Å; K70-E73 PolarHBondContact NZ-OE1 2.99Å; K70-E73 WeakPolarHBondContact O-CB 3.37Å; K70-E73 PolarHBondContact O-N 3.21Å; K70-T318 HydrophobicContact CG-CG2 4.35Å
71P92.1Very high88.1Confident1 Ų139.2 Ų39.21%0.00617%0.171CC..Hα-helixtrans-52.8-40.8-174.5-30.336.5000113.9E73 L74 L309 V310 V317P71-E73 PolarHBondContact O-N 3.23Å; P71-L74 VanDerWaalsContact O-CB 3.28Å; P71-L74 WeakPolarHBondContact O-CB 3.41Å; P71-L74 PolarHBondContact O-N 3.27Å; P71-L309 HydrophobicContact CB-CB 4.05Å; P71-L309 HydrophobicContact CG-CB 4.4Å; P71-V310 HydrophobicContact CB-CG2 3.89Å; P71-V317 WeakPolarHBondContact CD-O 3.45Å
72Y86.5Confident87.9Confident36 Ų3636.3 Ų36.314%0.14116%0.164CC..Hα-helixtrans-65-27.3178.381.2-98.2000113.5K70 L74 N75 D312 S315K70-Y72 VanDerWaalsContact C-N 3.26Å; K70-Y72 HydrophobicContact CB-CD1 4.05Å; K70-Y72 HydrophobicContact CB-CE1 3.8Å; K70-Y72 HydrophobicContact CD-CE1 3.61Å; K70-Y72 HydrophobicContact CG-CE1 4.35Å; K70-Y72 PolarHBondContact NZ-OH 3.32Å; K70-Y72 PolarHBondContact O-N 3.49Å; K70-Y72 VanDerWaalsContact O-N 3.16Å; Y72-L74 PolarHBondContact O-N 3.15Å; Y72-N75 PolarHBondContact O-N 3.07Å; Y72-D312 WeakPolarHBondContact CB-O 3.38Å; Y72-S315 WeakPolarHBondContact CE1-O 3.34Å
73E85.7Confident87.3Confident81 Ų8138.1 Ų38.138%0.37917%0.171SC..Hα-helixtrans-74.5-11.4176.9-67.1-179.4172.100111.5K70 P71 R79K70-E73 HydrophobicContact CB-CB 4.16Å; K70-E73 HydrophobicContact CB-CG 3.84Å; K70-E73 HydrophobicContact CD-CG 4.33Å; K70-E73 WeakPolarHBondContact CD-OE1 3.26Å; K70-E73 WeakPolarHBondContact CE-OE1 3.25Å; K70-E73 IonicContact NZ-OE1 3.38Å; K70-E73 PolarHBondContact NZ-OE1 2.99Å; K70-E73 WeakPolarHBondContact O-CB 3.37Å; K70-E73 PolarHBondContact O-N 3.21Å; P71-E73 PolarHBondContact O-N 3.23Å; E73-R79 PolarHBondContact O-NE 2.85Å; E73-R79 PolarHBondContact O-NH2 3.11Å
74L87.8Confident86.9Confident2 Ų235.6 Ų35.61%0.0115%0.154CC..Hα-helixtrans-82-25.7175-58.3179.3000112.7P71 Y72 A76 F266 T390 L450P71-L74 VanDerWaalsContact O-CB 3.28Å; P71-L74 WeakPolarHBondContact O-CB 3.41Å; P71-L74 PolarHBondContact O-N 3.27Å; Y72-L74 PolarHBondContact O-N 3.15Å; L74-A76 PolarHBondContact O-N 3.45Å; L74-F266 HydrophobicContact CD2-CE1 3.42Å; L74-F266 VanDerWaalsContact CD2-CE1 3.42Å; L74-F266 HydrophobicContact CD2-CZ 3.57Å; L74-T390 HydrophobicContact CD1-CG2 3.68Å; L74-L450 HydrophobicContact CB-CB 4.01Å; L74-L450 PolarHBondContact O-N 3.22Å
75N88.4Confident86.5Confident22 Ų2237 Ų3712%0.11816%0.16CC..BIsolated β-bridgetrans-70.9116.5-173.2-174.7-36.5000111.6Y72 L77 L78 R79 V310 L450Y72-N75 PolarHBondContact O-N 3.07Å; N75-L77 VanDerWaalsContact C-N 3.32Å; N75-L77 PolarHBondContact O-N 3.29Å; N75-L77 WeakPolarHBondContact OD1-CB 3.41Å; N75-L77 PolarHBondContact OD1-N 3.46Å; N75-L78 HydrophobicContact CB-CB 3.91Å; N75-L78 HydrophobicContact CB-CD1 3.94Å; N75-L78 HydrophobicContact CB-CG 3.84Å; N75-L78 PolarHBondContact O-N 2.99Å; N75-L78 PolarHBondContact OD1-N 3.32Å; N75-R79 WeakPolarHBondContact O-CG 3.36Å; N75-R79 PolarHBondContact O-N 3.47Å; N75-V310 HydrophobicContact CB-CG1 3.77Å; N75-V310 VanDerWaalsContact CB-O 3.3Å; N75-V310 WeakPolarHBondContact CB-O 3.49Å; N75-V310 PolarHBondContact ND2-O 3.41Å; N75-L450 WeakPolarHBondContact CA-O 3.35Å
76A85.1Confident85.8Confident0 Ų032.3 Ų32.30%016%0.156CC..Hα-helixtrans-54.2-46.7-179.200000112.4L74 R79 V80 T433 L436 T449 L450 V451L74-A76 PolarHBondContact O-N 3.45Å; A76-R79 WeakPolarHBondContact O-CB 3.42Å; A76-R79 PolarHBondContact O-N 2.7Å; A76-V80 PolarHBondContact O-N 3.02Å; A76-T433 HydrophobicContact CB-CG2 3.93Å; A76-L436 HydrophobicContact CB-CD2 4.46Å; A76-T449 HydrophobicContact CB-CG2 3.43Å; A76-T449 VanDerWaalsContact CB-CG2 3.43Å; A76-L450 PolarHBondContact N-O 2.79Å; A76-V451 HydrophobicContact CB-CG2 3.8Å
77L85Confident85.1Confident42 Ų4233.2 Ų33.222%0.2216%0.162CC..Hα-helixtrans-68-40-177.9-65170.6000111.4N75 R79 R81 L432 T433 I455N75-L77 VanDerWaalsContact C-N 3.32Å; N75-L77 PolarHBondContact O-N 3.29Å; N75-L77 WeakPolarHBondContact OD1-CB 3.41Å; N75-L77 PolarHBondContact OD1-N 3.46Å; L77-R79 VanDerWaalsContact C-N 3.35Å; L77-R81 VanDerWaalsContact O-CB 3.29Å; L77-R81 WeakPolarHBondContact O-CB 3.43Å; L77-R81 PolarHBondContact O-N 3.1Å; L77-L432 HydrophobicContact CD2-CB 4.27Å; L77-T433 HydrophobicContact CD2-CG2 3.83Å; L77-T433 HydrophobicContact CG-CG2 4.46Å; L77-I455 HydrophobicContact CD1-CD1 3.85Å
78L82.5Confident84.8Confident11 Ų1129.9 Ų29.96%0.05815%0.149CC..Hα-helixtrans-67.8-34.6175.4-64.8-172.9000112.1N75 R81 N82 V310N75-L78 HydrophobicContact CB-CB 3.91Å; N75-L78 HydrophobicContact CB-CD1 3.94Å; N75-L78 HydrophobicContact CB-CG 3.84Å; N75-L78 PolarHBondContact O-N 2.99Å; N75-L78 PolarHBondContact OD1-N 3.32Å; L78-R81 VanDerWaalsContact CD2-CZ 3.42Å; L78-R81 PolarHBondContact O-N 3.01Å; L78-N82 WeakPolarHBondContact O-CB 3.05Å; L78-N82 PolarHBondContact O-N 3.39Å; L78-N82 PolarHBondContact O-ND2 2.83Å; L78-N82 PolarHBondContact O-OD1 3.26Å; L78-V310 WeakPolarHBondContact CD1-O 3.48Å
79R80.8Confident84.6Confident26 Ų2634 Ų3410%0.09817%0.165CC..Hα-helixtrans-59.8-52175.1-75.3-180179.4166.36.6111.5E73 N75 A76 L77 R81 N82 R83 V448 T449E73-R79 PolarHBondContact O-NE 2.85Å; E73-R79 PolarHBondContact O-NH2 3.11Å; N75-R79 WeakPolarHBondContact O-CG 3.36Å; N75-R79 PolarHBondContact O-N 3.47Å; A76-R79 WeakPolarHBondContact O-CB 3.42Å; A76-R79 PolarHBondContact O-N 2.7Å; L77-R79 VanDerWaalsContact C-N 3.35Å; R79-R81 VanDerWaalsContact C-N 3.33Å; R79-R81 PolarHBondContact O-N 3.36Å; R79-N82 PolarHBondContact O-N 3.01Å; R79-R83 WeakPolarHBondContact O-CB 3.35Å; R79-R83 PolarHBondContact O-N 3.05Å; R79-V448 PolarHBondContact NH1-O 3.22Å; R79-V448 VanDerWaalsContact NH1-O 3.09Å; R79-V448 PolarHBondContact NH2-O 3.17Å; R79-T449 PolarHBondContact NH1-OG1 2.79Å
80V80.2Confident84Confident1 Ų137.1 Ų37.11%0.00618%0.178CC..Hα-helixtrans-59.6-47.7178.5-179.20000110.1A76 N82 R83 F84 Y112 T433 E435 L436 W439A76-V80 PolarHBondContact O-N 3.02Å; V80-N82 PolarHBondContact O-N 2.99Å; V80-R83 PolarHBondContact O-N 2.79Å; V80-F84 WeakPolarHBondContact O-CB 3.43Å; V80-F84 PolarHBondContact O-N 2.95Å; V80-Y112 HydrophobicContact CG1-CE2 3.88Å; V80-Y112 WeakPolarHBondContact CG1-OH 3.37Å; V80-T433 HydrophobicContact CG2-CG2 3.82Å; V80-E435 HydrophobicContact CG1-CB 3.97Å; V80-E435 HydrophobicContact CG1-CG 4.09Å; V80-L436 HydrophobicContact CG2-CB 4.11Å; V80-W439 HydrophobicContact CB-CH2 4.39Å; V80-W439 HydrophobicContact CB-CZ3 4.41Å; V80-W439 HydrophobicContact CG1-CH2 4Å; V80-W439 HydrophobicContact CG1-CZ3 4.44Å; V80-W439 HydrophobicContact CG2-CH2 4.49Å; V80-W439 HydrophobicContact CG2-CZ3 4.12Å
81R82.5Confident83.5Confident51 Ų5133.7 Ų33.719%0.19216%0.164CC..Hα-helixtrans-59.9-47.5178.3-167.7-168.773-175.6-2112.4L77 L78 R79 F84 F85 Y112L77-R81 VanDerWaalsContact O-CB 3.29Å; L77-R81 WeakPolarHBondContact O-CB 3.43Å; L77-R81 PolarHBondContact O-N 3.1Å; L78-R81 VanDerWaalsContact CD2-CZ 3.42Å; L78-R81 PolarHBondContact O-N 3.01Å; R79-R81 VanDerWaalsContact C-N 3.33Å; R79-R81 PolarHBondContact O-N 3.36Å; R81-F84 WeakPolarHBondContact O-CB 3.46Å; R81-F84 PolarHBondContact O-N 3.05Å; R81-F85 HydrophobicContact CG-CD2 3.88Å; R81-F85 HydrophobicContact CG-CE2 3.69Å; R81-F85 WeakPolarHBondContact O-CD2 3.4Å; R81-F85 PolarHBondContact O-N 3.14Å; R81-Y112 HydrophobicContact CB-CD1 3.93Å; R81-Y112 HydrophobicContact CB-CE1 4.2Å; R81-Y112 HydrophobicContact CB-CG 4.21Å; R81-Y112 HydrophobicContact CG-CD1 3.71Å; R81-Y112 HydrophobicContact CG-CE1 4.46Å; R81-Y112 HydrophobicContact CG-CG 3.79Å
82N81.1Confident83.1Confident55 Ų5533.7 Ų33.729%0.29416%0.164SC..Hα-helixtrans-67.1-38.3-177.6-70.7-10.5000111.1L78 R79 V80 F85 A86L78-N82 WeakPolarHBondContact O-CB 3.05Å; L78-N82 PolarHBondContact O-N 3.39Å; L78-N82 PolarHBondContact O-ND2 2.83Å; L78-N82 PolarHBondContact O-OD1 3.26Å; R79-N82 PolarHBondContact O-N 3.01Å; V80-N82 PolarHBondContact O-N 2.99Å; N82-F85 PolarHBondContact O-N 3.32Å; N82-A86 WeakPolarHBondContact O-CB 3.37Å; N82-A86 PolarHBondContact O-N 3.25Å
83R77.7Confident82.8Confident39 Ų3938.5 Ų38.515%0.14719%0.187CC..Hα-helixtrans-65.7-41.9172.6179.8161.6176.6-178.17111.8R79 V80 F85 A86 T87 C257 W439R79-R83 WeakPolarHBondContact O-CB 3.35Å; R79-R83 PolarHBondContact O-N 3.05Å; V80-R83 PolarHBondContact O-N 2.79Å; R83-F85 VanDerWaalsContact C-N 3.33Å; R83-F85 PolarHBondContact O-N 3.04Å; R83-A86 PolarHBondContact O-N 3Å; R83-T87 VanDerWaalsContact O-CB 3.26Å; R83-T87 WeakPolarHBondContact O-CB 3.38Å; R83-T87 PolarHBondContact O-N 3.16Å; R83-T87 PolarHBondContact O-OG1 2.87Å; R83-C257 PolarHBondContact NH2-O 3.25Å; R83-W439 HydrophobicContact CB-CH2 3.74Å; R83-W439 HydrophobicContact CB-CZ2 4.49Å; R83-W439 HydrophobicContact CB-CZ3 4.05Å; R83-W439 VanDerWaalsContact CD-CH2 3.46Å; R83-W439 HydrophobicContact CG-CH2 3.69Å; R83-W439 HydrophobicContact CG-CZ2 3.97Å; R83-W439 HydrophobicContact CG-CZ3 4.15Å
84F83.4Confident82.1Confident13 Ų1335.8 Ų35.86%0.05718%0.175CC..Hα-helixtrans-54.7-49.9172.6169.6-93.4000110.8V80 R81 T87 L88 L111 Y112 H115 L158 Y161V80-F84 WeakPolarHBondContact O-CB 3.43Å; V80-F84 PolarHBondContact O-N 2.95Å; R81-F84 WeakPolarHBondContact O-CB 3.46Å; R81-F84 PolarHBondContact O-N 3.05Å; F84-T87 PolarHBondContact O-N 2.74Å; F84-L88 HydrophobicContact CE1-CD2 4.01Å; F84-L88 HydrophobicContact CZ-CD2 4.15Å; F84-L88 WeakPolarHBondContact O-CB 3.41Å; F84-L88 PolarHBondContact O-N 2.87Å; F84-L111 HydrophobicContact CE1-CB 4.18Å; F84-Y112 HydrophobicContact CB-CD2 3.86Å; F84-Y112 HydrophobicContact CB-CE2 4.33Å; F84-Y112 AromaticContact CD1-CD2 3.89Å; F84-Y112 HydrophobicContact CD1-CD2 3.89Å; F84-Y112 HydrophobicContact CD1-CG 4.3Å; F84-Y112 HydrophobicContact CD2-CD2 4.12Å; F84-Y112 HydrophobicContact CE1-CD2 4.45Å; F84-Y112 AromaticContact CG-CD2 3.69Å; F84-Y112 HydrophobicContact CG-CD2 3.69Å; F84-Y112 HydrophobicContact CG-CE2 4.49Å; F84-H115 HydrophobicContact CE2-CB 3.95Å; F84-H115 AromaticContact CE2-CD2 3.56Å; F84-H115 AromaticContact CE2-CG 3.73Å; F84-H115 HydrophobicContact CZ-CB 3.75Å; F84-L158 HydrophobicContact CE1-CD2 4.41Å; F84-L158 HydrophobicContact CE2-CD2 4.45Å; F84-L158 HydrophobicContact CZ-CD2 3.62Å; F84-Y161 HydrophobicContact CD2-CE1 4.21Å; F84-Y161 HydrophobicContact CE2-CD1 4.43Å; F84-Y161 AromaticContact CE2-CE1 3.92Å; F84-Y161 HydrophobicContact CE2-CE1 3.92Å
85F84.4Confident81.3Confident38 Ų3835.8 Ų35.817%0.16718%0.175CC..Hα-helixtrans-66.3-39.3178.1-81.8-72.5000113.6R81 N82 R83 K89 L99 I101 L111R81-F85 HydrophobicContact CG-CD2 3.88Å; R81-F85 HydrophobicContact CG-CE2 3.69Å; R81-F85 WeakPolarHBondContact O-CD2 3.4Å; R81-F85 PolarHBondContact O-N 3.14Å; N82-F85 PolarHBondContact O-N 3.32Å; R83-F85 VanDerWaalsContact C-N 3.33Å; R83-F85 PolarHBondContact O-N 3.04Å; F85-K89 WeakPolarHBondContact O-CB 3.48Å; F85-K89 PolarHBondContact O-N 3.4Å; F85-L99 HydrophobicContact CD1-CD2 4.22Å; F85-I101 HydrophobicContact CE1-CD1 4.29Å; F85-L111 HydrophobicContact CE1-CB 3.88Å; F85-L111 HydrophobicContact CE1-CD1 4.1Å; F85-L111 HydrophobicContact CE1-CG 4.3Å; F85-L111 HydrophobicContact CZ-CB 4Å
86A79.7Confident80.6Confident63 Ų6337.3 Ų37.352%0.52120%0.196SC..Hα-helixtrans-64.1-46.3177.600000111.3N82 R83 K89 K90N82-A86 WeakPolarHBondContact O-CB 3.37Å; N82-A86 PolarHBondContact O-N 3.25Å; R83-A86 PolarHBondContact O-N 3Å; A86-K89 PolarHBondContact O-N 2.95Å; A86-K90 WeakPolarHBondContact O-CB 3.38Å; A86-K90 PolarHBondContact O-N 3.27Å
87T79.8Confident80.4Confident19 Ų1940.4 Ų40.412%0.11721%0.212CC..Hα-helixtrans-63.3-49.4177-54.20000110.6R83 F84 K89 K90 F91 Y161 C257R83-T87 VanDerWaalsContact O-CB 3.26Å; R83-T87 WeakPolarHBondContact O-CB 3.38Å; R83-T87 PolarHBondContact O-N 3.16Å; R83-T87 PolarHBondContact O-OG1 2.87Å; F84-T87 PolarHBondContact O-N 2.74Å; T87-K89 VanDerWaalsContact C-N 3.34Å; T87-K89 PolarHBondContact O-N 2.08Å; T87-K90 PolarHBondContact O-N 3.24Å; T87-F91 WeakPolarHBondContact O-CB 3.39Å; T87-F91 PolarHBondContact O-N 3.05Å; T87-Y161 HydrophobicContact CG2-CE2 3.69Å; T87-C257 HydrophobicContact CG2-CB 3.71Å
88L86.2Confident80.3Confident0 Ų046.8 Ų46.80%024%0.238CC..Hα-helixtrans-60.2-43.8178.1177.961.6000111.8F84 K90 F91 L92 L99 L111 L157 L158 Y161F84-L88 HydrophobicContact CE1-CD2 4.01Å; F84-L88 HydrophobicContact CZ-CD2 4.15Å; F84-L88 WeakPolarHBondContact O-CB 3.41Å; F84-L88 PolarHBondContact O-N 2.87Å; L88-K90 VanDerWaalsContact C-N 3.34Å; L88-K90 PolarHBondContact O-N 2.81Å; L88-F91 PolarHBondContact O-N 3.07Å; L88-L92 HydrophobicContact CD1-CD1 3.99Å; L88-L92 HydrophobicContact CD1-CG 4.06Å; L88-L92 HydrophobicContact CG-CD1 3.97Å; L88-L92 HydrophobicContact CG-CG 4.43Å; L88-L92 WeakPolarHBondContact O-CB 3.26Å; L88-L92 VanDerWaalsContact O-CG 3.29Å; L88-L92 WeakPolarHBondContact O-CG 3.27Å; L88-L92 PolarHBondContact O-N 3.4Å; L88-L99 HydrophobicContact CD2-CD1 4.27Å; L88-L111 HydrophobicContact CD2-CD1 4.09Å; L88-L157 VanDerWaalsContact CD1-O 3.32Å; L88-L157 WeakPolarHBondContact CD1-O 3.46Å; L88-L158 HydrophobicContact CD1-CD2 4.14Å; L88-L158 HydrophobicContact CD2-CD2 3.6Å; L88-Y161 HydrophobicContact CD1-CD1 4.31Å; L88-Y161 HydrophobicContact CD1-CD2 4.46Å; L88-Y161 HydrophobicContact CD1-CG 3.99Å
89K85.3Confident80.5Confident138 Ų13848 Ų4860%0.624%0.244SC*.Hα-helixtrans-62-42.8177.3-177.2-177.4175.8-171.50111.1F85 A86 T87 H93 L99F85-K89 WeakPolarHBondContact O-CB 3.48Å; F85-K89 PolarHBondContact O-N 3.4Å; A86-K89 PolarHBondContact O-N 2.95Å; T87-K89 VanDerWaalsContact C-N 3.34Å; T87-K89 PolarHBondContact O-N 2.08Å; K89-H93 VanDerWaalsContact O-CB 3.26Å; K89-H93 WeakPolarHBondContact O-CB 3.42Å; K89-H93 PolarHBondContact O-N 3.44Å; K89-L99 HydrophobicContact CB-CD2 4.04Å; K89-L99 HydrophobicContact CG-CB 4.48Å
90K78.7Confident80.9Confident68 Ų6854.3 Ų54.330%0.29627%0.272SS..Hα-helixtrans-65.1-47.3177.1-174.6170178.2179.40111.3A86 T87 L88 L92 H93 L94 E256A86-K90 WeakPolarHBondContact O-CB 3.38Å; A86-K90 PolarHBondContact O-N 3.27Å; T87-K90 PolarHBondContact O-N 3.24Å; L88-K90 VanDerWaalsContact C-N 3.34Å; L88-K90 PolarHBondContact O-N 2.81Å; K90-L92 PolarHBondContact O-N 2.64Å; K90-H93 PolarHBondContact O-N 3Å; K90-L94 HydrophobicContact CG-CD1 3.98Å; K90-L94 WeakPolarHBondContact O-CG 3.36Å; K90-L94 PolarHBondContact O-N 3.36Å; K90-E256 VanDerWaalsContact CE-OE2 3.3Å; K90-E256 WeakPolarHBondContact CE-OE2 3.19Å; K90-E256 IonicContact NZ-OE1 3.36Å; K90-E256 PolarHBondContact NZ-OE1 3.08Å; K90-E256 IonicContact NZ-OE2 3.46Å; K90-E256 PolarHBondContact NZ-OE2 2.83Å
91F81.5Confident81.3Confident2 Ų257.5 Ų57.51%0.00929%0.289CS..Hα-helixtrans-54.3-54.4174.3176.5-94000111.5T87 L88 H93 L94 Q95 A160 Y161 H164 P250T87-F91 WeakPolarHBondContact O-CB 3.39Å; T87-F91 PolarHBondContact O-N 3.05Å; L88-F91 PolarHBondContact O-N 3.07Å; F91-H93 VanDerWaalsContact C-N 3.34Å; F91-H93 PolarHBondContact O-N 2.92Å; F91-L94 PolarHBondContact O-N 3.1Å; F91-Q95 HydrophobicContact CD1-CG 4.37Å; F91-Q95 HydrophobicContact CE1-CG 3.97Å; F91-Q95 HydrophobicContact CE2-CG 4.39Å; F91-Q95 HydrophobicContact CZ-CG 3.97Å; F91-Q95 WeakPolarHBondContact O-CG 3.28Å; F91-Q95 PolarHBondContact O-N 3.04Å; F91-A160 HydrophobicContact CE1-CB 3.93Å; F91-A160 HydrophobicContact CZ-CB 4.02Å; F91-Y161 HydrophobicContact CB-CD2 4.07Å; F91-Y161 HydrophobicContact CD1-CD2 4.16Å; F91-Y161 HydrophobicContact CD1-CG 4.48Å; F91-Y161 HydrophobicContact CD2-CD2 4.24Å; F91-Y161 AromaticContact CG-CD2 3.88Å; F91-Y161 HydrophobicContact CG-CD2 3.88Å; F91-H164 HydrophobicContact CE2-CB 4.26Å; F91-H164 AromaticContact CE2-ND1 3.81Å; F91-H164 AromaticContact CZ-ND1 3.56Å; F91-P250 HydrophobicContact CE2-CB 4.35Å
92L83.4Confident81.8Confident1 Ų156.4 Ų56.41%0.00529%0.288CS..Hα-helixtrans-60.9-42.3179.5-70.9172.9000112L88 K90 L94 Q95 G96 L97 L99 L157L88-L92 HydrophobicContact CD1-CD1 3.99Å; L88-L92 HydrophobicContact CD1-CG 4.06Å; L88-L92 HydrophobicContact CG-CD1 3.97Å; L88-L92 HydrophobicContact CG-CG 4.43Å; L88-L92 WeakPolarHBondContact O-CB 3.26Å; L88-L92 VanDerWaalsContact O-CG 3.29Å; L88-L92 WeakPolarHBondContact O-CG 3.27Å; L88-L92 PolarHBondContact O-N 3.4Å; K90-L92 PolarHBondContact O-N 2.64Å; L92-L94 VanDerWaalsContact C-N 3.31Å; L92-L94 PolarHBondContact O-N 3.35Å; L92-Q95 CarbonylContact O-C 3.56Å; L92-Q95 VanDerWaalsContact O-C 3.27Å; L92-Q95 WeakPolarHBondContact O-CA 3.48Å; L92-Q95 PolarHBondContact O-N 2.99Å; L92-Q95 VanDerWaalsContact O-N 3.1Å; L92-G96 PolarHBondContact O-N 3.49Å; L92-L97 CarbonylContact C-O 3.55Å; L92-L97 HydrophobicContact CB-CB 4.11Å; L92-L97 HydrophobicContact CD2-CB 4.21Å; L92-L97 HydrophobicContact CD2-CD1 3.87Å; L92-L97 CarbonylContact O-C 3.57Å; L92-L97 WeakPolarHBondContact O-CA 3.28Å; L92-L97 WeakPolarHBondContact O-CB 3.48Å; L92-L97 PolarHBondContact O-N 3.12Å; L92-L99 HydrophobicContact CD1-CB 3.86Å; L92-L99 HydrophobicContact CD1-CD1 3.63Å; L92-L99 HydrophobicContact CD1-CG 4.26Å; L92-L157 HydrophobicContact CD1-CD2 4.21Å
93H79.2Confident82.2Confident137 Ų13761.1 Ų61.163%0.63430%0.302SS*.Hα-helixtrans-58.6-43178.6-179.649.8000112.3K89 K90 F91 Q95 G96 L97K89-H93 VanDerWaalsContact O-CB 3.26Å; K89-H93 WeakPolarHBondContact O-CB 3.42Å; K89-H93 PolarHBondContact O-N 3.44Å; K90-H93 PolarHBondContact O-N 3Å; F91-H93 VanDerWaalsContact C-N 3.34Å; F91-H93 PolarHBondContact O-N 2.92Å; H93-Q95 VanDerWaalsContact C-N 3.29Å; H93-G96 WeakPolarHBondContact O-CA 3.43Å; H93-G96 PolarHBondContact O-N 3.1Å; H93-L97 VanDerWaalsContact CA-O 3.28Å; H93-L97 WeakPolarHBondContact CA-O 3.47Å; H93-L97 PolarHBondContact N-O 3.5Å
94L70.7Confident82.7Confident24 Ų2460 Ų6013%0.12630%0.298CS..Hα-helixtrans-73.2-24.1178.2-66.6169.5000112.4K90 F91 L92 G96 V253K90-L94 HydrophobicContact CG-CD1 3.98Å; K90-L94 WeakPolarHBondContact O-CG 3.36Å; K90-L94 PolarHBondContact O-N 3.36Å; F91-L94 PolarHBondContact O-N 3.1Å; L92-L94 VanDerWaalsContact C-N 3.31Å; L92-L94 PolarHBondContact O-N 3.35Å; L94-G96 PolarHBondContact O-N 3.39Å; L94-V253 HydrophobicContact CB-CG2 4.2Å; L94-V253 HydrophobicContact CD1-CB 4.08Å; L94-V253 HydrophobicContact CD1-CG1 3.64Å; L94-V253 HydrophobicContact CD1-CG2 3.27Å; L94-V253 HydrophobicContact CG-CG2 4.32Å
95Q72.3Confident82.8Confident1 Ų166.3 Ų66.31%0.00533%0.332CS..THydrogen-bonded Turntrans-81.517.3164.3-59.5-57.4-57.100112.8F91 L92 H93 L97 L239F91-Q95 HydrophobicContact CD1-CG 4.37Å; F91-Q95 HydrophobicContact CE1-CG 3.97Å; F91-Q95 HydrophobicContact CE2-CG 4.39Å; F91-Q95 HydrophobicContact CZ-CG 3.97Å; F91-Q95 WeakPolarHBondContact O-CG 3.28Å; F91-Q95 PolarHBondContact O-N 3.04Å; L92-Q95 CarbonylContact O-C 3.56Å; L92-Q95 VanDerWaalsContact O-C 3.27Å; L92-Q95 WeakPolarHBondContact O-CA 3.48Å; L92-Q95 PolarHBondContact O-N 2.99Å; L92-Q95 VanDerWaalsContact O-N 3.1Å; H93-Q95 VanDerWaalsContact C-N 3.29Å; Q95-L97 PolarHBondContact O-N 3.12Å; Q95-L239 VanDerWaalsContact C-CD2 3.46Å; Q95-L239 WeakPolarHBondContact O-CD2 2.97Å
96G73Confident82.7Confident54 Ų5467.7 Ų67.756%0.55736%0.358SS*.THydrogen-bonded Turntrans64.910.8178.800000115.1L92 H93 L94L92-G96 PolarHBondContact O-N 3.49Å; H93-G96 WeakPolarHBondContact O-CA 3.43Å; H93-G96 PolarHBondContact O-N 3.1Å; L94-G96 PolarHBondContact O-N 3.39Å
97L80.1Confident83.1Confident66 Ų6670.1 Ų70.135%0.34635%0.353SS..  trans-100.4146.7179.5-65.2179.6000111.1L92 H93 Q95 P237L92-L97 CarbonylContact C-O 3.55Å; L92-L97 HydrophobicContact CB-CB 4.11Å; L92-L97 HydrophobicContact CD2-CB 4.21Å; L92-L97 HydrophobicContact CD2-CD1 3.87Å; L92-L97 CarbonylContact O-C 3.57Å; L92-L97 WeakPolarHBondContact O-CA 3.28Å; L92-L97 WeakPolarHBondContact O-CB 3.48Å; L92-L97 PolarHBondContact O-N 3.12Å; H93-L97 VanDerWaalsContact CA-O 3.28Å; H93-L97 WeakPolarHBondContact CA-O 3.47Å; H93-L97 PolarHBondContact N-O 3.5Å; Q95-L97 PolarHBondContact O-N 3.12Å; L97-P237 HydrophobicContact CD1-CG 3.45Å; L97-P237 VanDerWaalsContact CD1-CG 3.45Å; L97-P237 HydrophobicContact CG-CG 4.49Å
98K83.5Confident83.5Confident176 Ų17675 Ų7577%0.76537%0.373SS*.  trans-104.4120.2171.5-171.5173.6-176.8173.80109.1K100K98-K100 PolarHBondContact O-N 3.41Å
99L86.8Confident83.8Confident36 Ų3675.1 Ų75.119%0.18837%0.374CS..  trans-58.1111.5173.9179.860.5000110.2F85 L88 K89 L92 L111 L157F85-L99 HydrophobicContact CD1-CD2 4.22Å; L88-L99 HydrophobicContact CD2-CD1 4.27Å; K89-L99 HydrophobicContact CB-CD2 4.04Å; K89-L99 HydrophobicContact CG-CB 4.48Å; L92-L99 HydrophobicContact CD1-CB 3.86Å; L92-L99 HydrophobicContact CD1-CD1 3.63Å; L92-L99 HydrophobicContact CD1-CG 4.26Å; L99-L111 HydrophobicContact CD1-CD1 3.69Å; L99-L157 HydrophobicContact CD1-CD2 4.49Å
100K88.5Confident83.9Confident159 Ų15970.2 Ų70.269%0.69135%0.354SS*.  trans-117113.8170-69.3-176.9-178.7179.20108.2K98 P102K98-K100 PolarHBondContact O-N 3.41Å; K100-P102 VanDerWaalsContact O-CD 3.25Å; K100-P102 WeakPolarHBondContact O-CD 3.39Å
101I90.6Very high84.6Confident67 Ų6767 Ų6734%0.34434%0.34SS..  trans-70118.5179.9-60.4177000109.3F85 K108 L109F85-I101 HydrophobicContact CE1-CD1 4.29Å; I101-K108 HydrophobicContact CG2-CB 4.09Å; I101-K108 HydrophobicContact CG2-CG 4.5Å; I101-L109 VanDerWaalsContact CG2-O 3.28Å; I101-L109 WeakPolarHBondContact CG2-O 3.39Å
102P91.5Very high84.9Confident28 Ų2867.4 Ų67.418%0.18234%0.342CS..  trans-62.3156.2176.8-22.434.8000112.4K100 F104 L109 L157K100-P102 VanDerWaalsContact O-CD 3.25Å; K100-P102 WeakPolarHBondContact O-CD 3.39Å; P102-F104 HydrophobicContact CB-CE1 4.24Å; P102-F104 HydrophobicContact CB-CZ 3.98Å; P102-L109 HydrophobicContact CB-CB 4.27Å; P102-L109 HydrophobicContact CB-CD2 4.21Å; P102-L109 HydrophobicContact CG-CD2 4.03Å; P102-L109 PolarHBondContact O-N 3.01Å; P102-L157 HydrophobicContact CG-CD1 4.03Å
103R90.9Very high85.2Confident155 Ų15571.3 Ų71.359%0.58536%0.36SS*.EExtended strand (participates in β ladder)trans-125.1133.5172.3-73.3-178.2168.991.8-14.6109.9R107 K108R103-R107 CarbonylContact C-O 3.56Å; R103-R107 VanDerWaalsContact CA-O 3.23Å; R103-R107 WeakPolarHBondContact CA-O 3.48Å; R103-K108 HydrophobicContact CG-CG 3.94Å
104F87Confident85.9Confident15 Ų1564.8 Ų64.87%0.06633%0.33CS..EExtended strand (participates in β ladder)trans-122.5125.2172.9-50.7-50.4000108.3P102 G106 R107 L109 F142 Q149 L150P102-F104 HydrophobicContact CB-CE1 4.24Å; P102-F104 HydrophobicContact CB-CZ 3.98Å; F104-G106 VanDerWaalsContact C-N 3.25Å; F104-G106 PolarHBondContact O-N 3.36Å; F104-R107 PolarHBondContact N-O 3.38Å; F104-R107 PolarHBondContact O-N 2.88Å; F104-L109 HydrophobicContact CD2-CB 4.43Å; F104-L109 HydrophobicContact CD2-CD1 4.4Å; F104-L109 HydrophobicContact CE2-CB 4.07Å; F104-L109 HydrophobicContact CE2-CD1 3.96Å; F104-L109 HydrophobicContact CE2-CD2 3.76Å; F104-L109 HydrophobicContact CE2-CG 4.14Å; F104-L109 HydrophobicContact CZ-CD2 4.18Å; F104-F142 HydrophobicContact CB-CD1 3.98Å; F104-F142 HydrophobicContact CB-CE1 3.74Å; F104-F142 HydrophobicContact CD2-CD1 4.38Å; F104-F142 HydrophobicContact CD2-CE1 4.08Å; F104-F142 HydrophobicContact CD2-CZ 4.16Å; F104-F142 HydrophobicContact CG-CE1 4.43Å; F104-Q149 HydrophobicContact CD1-CB 4.25Å; F104-Q149 HydrophobicContact CE1-CB 3.59Å; F104-Q149 HydrophobicContact CE1-CG 4.4Å; F104-Q149 HydrophobicContact CZ-CB 3.88Å; F104-L150 HydrophobicContact CD2-CD2 4.11Å; F104-L150 HydrophobicContact CE2-CD2 3.53Å; F104-L150 HydrophobicContact CE2-CG 4.15Å; F104-L150 HydrophobicContact CZ-CD2 4.47Å
105N85Confident87Confident145 Ų14564.7 Ų64.778%0.77533%0.328SS*.THydrogen-bonded Turntrans49.344.6-177.1-58.9-19.5000113.1R107N105-R107 PolarHBondContact O-N 3.47Å; N105-R107 VanDerWaalsContact O-N 3.12Å
106G84.1Confident87.8Confident68 Ų6869.5 Ų69.570%0.70135%0.346SS*.THydrogen-bonded Turntrans78-18.2-178.400000115.5F104F104-G106 VanDerWaalsContact C-N 3.25Å; F104-G106 PolarHBondContact O-N 3.36Å
107R86.4Confident88.8Confident113 Ų11368 Ų6843%0.42633%0.325SS..EExtended strand (participates in β ladder)trans-85.9131.5179.6-170.2176.4179.9-148.4-3.1110.9R103 F104 N105 L140 S141 F142R103-R107 CarbonylContact C-O 3.56Å; R103-R107 VanDerWaalsContact CA-O 3.23Å; R103-R107 WeakPolarHBondContact CA-O 3.48Å; F104-R107 PolarHBondContact N-O 3.38Å; F104-R107 PolarHBondContact O-N 2.88Å; N105-R107 PolarHBondContact O-N 3.47Å; N105-R107 VanDerWaalsContact O-N 3.12Å; R107-L140 PolarHBondContact NH1-O 3.07Å; R107-S141 PolarHBondContact NH1-O 3.27Å; R107-F142 HydrophobicContact CB-CE1 4.09Å; R107-F142 HydrophobicContact CB-CZ 4.43Å; R107-F142 HydrophobicContact CG-CE1 4.33Å; R107-F142 HydrophobicContact CG-CZ 4.25Å
108K89.8Confident89.6Confident122 Ų12264.9 Ų64.953%0.5331%0.309SS..EExtended strand (participates in β ladder)trans-67136.9172.5-70.9179.3-178.8173.50109.9I101 R103 N110I101-K108 HydrophobicContact CG2-CB 4.09Å; I101-K108 HydrophobicContact CG2-CG 4.5Å; R103-K108 HydrophobicContact CG-CG 3.94Å; K108-N110 PolarHBondContact O-N 3.47Å
109L90.9Very high90Very high3 Ų360.1 Ų60.12%0.01629%0.289CS..PPolyproline II helixtrans-69.6120.9172.7178.259.8000110.1I101 P102 F104 L111 L114 F142 L150I101-L109 VanDerWaalsContact CG2-O 3.28Å; I101-L109 WeakPolarHBondContact CG2-O 3.39Å; P102-L109 HydrophobicContact CB-CB 4.27Å; P102-L109 HydrophobicContact CB-CD2 4.21Å; P102-L109 HydrophobicContact CG-CD2 4.03Å; P102-L109 PolarHBondContact O-N 3.01Å; F104-L109 HydrophobicContact CD2-CB 4.43Å; F104-L109 HydrophobicContact CD2-CD1 4.4Å; F104-L109 HydrophobicContact CE2-CB 4.07Å; F104-L109 HydrophobicContact CE2-CD1 3.96Å; F104-L109 HydrophobicContact CE2-CD2 3.76Å; F104-L109 HydrophobicContact CE2-CG 4.14Å; F104-L109 HydrophobicContact CZ-CD2 4.18Å; L109-L111 HydrophobicContact CD2-CD2 3.64Å; L109-L111 HydrophobicContact CG-CD2 4.02Å; L109-L111 PolarHBondContact O-N 3.44Å; L109-L111 VanDerWaalsContact O-N 3.1Å; L109-L114 HydrophobicContact CD1-CB 4.38Å; L109-L114 HydrophobicContact CD1-CD2 4.21Å; L109-L114 HydrophobicContact CD2-CD2 3.85Å; L109-L114 HydrophobicContact CG-CD2 4.32Å; L109-F142 HydrophobicContact CD1-CE2 4.01Å; L109-L150 HydrophobicContact CD1-CD2 3.42Å; L109-L150 VanDerWaalsContact CD1-CD2 3.42Å; L109-L150 HydrophobicContact CD2-CD2 4.35Å; L109-L150 HydrophobicContact CG-CD2 4.49Å
110N89Confident90.2Very high35 Ų3566.2 Ų66.219%0.18731%0.309CS..  trans-77.394170.4-171.3-19.2000109.3K108 Y112 E113 L114K108-N110 PolarHBondContact O-N 3.47Å; N110-Y112 PolarHBondContact O-N 3.49Å; N110-Y112 WeakPolarHBondContact OD1-CB 3.34Å; N110-Y112 PolarHBondContact OD1-N 3.15Å; N110-E113 HydrophobicContact CB-CB 4.08Å; N110-E113 HydrophobicContact CB-CG 4.26Å; N110-E113 WeakPolarHBondContact CB-OE2 3.3Å; N110-E113 WeakPolarHBondContact ND2-CG 3.35Å; N110-E113 PolarHBondContact ND2-OE1 2.83Å; N110-E113 PolarHBondContact ND2-OE2 2.84Å; N110-E113 PolarHBondContact O-N 2.89Å; N110-E113 PolarHBondContact OD1-N 2.67Å; N110-L114 WeakPolarHBondContact O-CB 3.1Å; N110-L114 PolarHBondContact O-N 3.42Å
111L91.9Very high90.5Very high0 Ų061 Ų610%029%0.286CS..Hα-helixtrans-59.8-28.6-178.7-67178.6000113.2F84 F85 L88 L99 L109 L114 H115 L157 L158F84-L111 HydrophobicContact CE1-CB 4.18Å; F85-L111 HydrophobicContact CE1-CB 3.88Å; F85-L111 HydrophobicContact CE1-CD1 4.1Å; F85-L111 HydrophobicContact CE1-CG 4.3Å; F85-L111 HydrophobicContact CZ-CB 4Å; L88-L111 HydrophobicContact CD2-CD1 4.09Å; L99-L111 HydrophobicContact CD1-CD1 3.69Å; L109-L111 HydrophobicContact CD2-CD2 3.64Å; L109-L111 HydrophobicContact CG-CD2 4.02Å; L109-L111 PolarHBondContact O-N 3.44Å; L109-L111 VanDerWaalsContact O-N 3.1Å; L111-L114 HydrophobicContact CD2-CD2 4.45Å; L111-H115 VanDerWaalsContact O-CB 3.27Å; L111-H115 WeakPolarHBondContact O-CB 3.47Å; L111-H115 PolarHBondContact O-N 3.28Å; L111-L157 HydrophobicContact CD1-CD1 4.05Å; L111-L157 HydrophobicContact CD2-CD1 4.06Å; L111-L158 HydrophobicContact CD2-CD1 4.37Å
112Y88.5Confident90.5Very high11 Ų1160.5 Ų60.54%0.04330%0.297CS..Hα-helixtrans-72.7-46.3178175.4-111.8000111.8V80 R81 F84 N110 L114 H115 R116V80-Y112 HydrophobicContact CG1-CE2 3.88Å; V80-Y112 WeakPolarHBondContact CG1-OH 3.37Å; R81-Y112 HydrophobicContact CB-CD1 3.93Å; R81-Y112 HydrophobicContact CB-CE1 4.2Å; R81-Y112 HydrophobicContact CB-CG 4.21Å; R81-Y112 HydrophobicContact CG-CD1 3.71Å; R81-Y112 HydrophobicContact CG-CE1 4.46Å; R81-Y112 HydrophobicContact CG-CG 3.79Å; F84-Y112 HydrophobicContact CB-CD2 3.86Å; F84-Y112 HydrophobicContact CB-CE2 4.33Å; F84-Y112 AromaticContact CD1-CD2 3.89Å; F84-Y112 HydrophobicContact CD1-CD2 3.89Å; F84-Y112 HydrophobicContact CD1-CG 4.3Å; F84-Y112 HydrophobicContact CD2-CD2 4.12Å; F84-Y112 HydrophobicContact CE1-CD2 4.45Å; F84-Y112 AromaticContact CG-CD2 3.69Å; F84-Y112 HydrophobicContact CG-CD2 3.69Å; F84-Y112 HydrophobicContact CG-CE2 4.49Å; N110-Y112 PolarHBondContact O-N 3.49Å; N110-Y112 WeakPolarHBondContact OD1-CB 3.34Å; N110-Y112 PolarHBondContact OD1-N 3.15Å; Y112-L114 VanDerWaalsContact C-N 3.32Å; Y112-L114 PolarHBondContact O-N 3.05Å; Y112-H115 PolarHBondContact O-N 3.49Å; Y112-R116 HydrophobicContact CE1-CG 4.42Å; Y112-R116 HydrophobicContact CE2-CG 4.11Å; Y112-R116 VanDerWaalsContact CZ-CD 3.48Å; Y112-R116 PolarHBondContact O-N 2.8Å
113E89.3Confident90.6Very high83 Ų8359.4 Ų59.439%0.38829%0.291SS..Hα-helixtrans-63.6-40.3174.2-73.9168.3-168.600111.3N110 H115 R116 E117 L140N110-E113 HydrophobicContact CB-CB 4.08Å; N110-E113 HydrophobicContact CB-CG 4.26Å; N110-E113 WeakPolarHBondContact CB-OE2 3.3Å; N110-E113 WeakPolarHBondContact ND2-CG 3.35Å; N110-E113 PolarHBondContact ND2-OE1 2.83Å; N110-E113 PolarHBondContact ND2-OE2 2.84Å; N110-E113 PolarHBondContact O-N 2.89Å; N110-E113 PolarHBondContact OD1-N 2.67Å; E113-H115 PolarHBondContact O-N 3.39Å; E113-R116 PolarHBondContact O-N 2.87Å; E113-E117 VanDerWaalsContact O-CB 3.29Å; E113-E117 WeakPolarHBondContact O-CB 3.47Å; E113-E117 PolarHBondContact O-N 3.09Å; E113-L140 HydrophobicContact CB-CD2 3.49Å; E113-L140 VanDerWaalsContact CB-CD2 3.49Å
114L94.7Very high90.8Very high0 Ų053.5 Ų53.50%027%0.269CS..Hα-helixtrans-60.1-45.5173.6173.763.2000111.4L109 N110 L111 Y112 V118 W133 V136 L140 L150 Y154 L158L109-L114 HydrophobicContact CD1-CB 4.38Å; L109-L114 HydrophobicContact CD1-CD2 4.21Å; L109-L114 HydrophobicContact CD2-CD2 3.85Å; L109-L114 HydrophobicContact CG-CD2 4.32Å; N110-L114 WeakPolarHBondContact O-CB 3.1Å; N110-L114 PolarHBondContact O-N 3.42Å; L111-L114 HydrophobicContact CD2-CD2 4.45Å; Y112-L114 VanDerWaalsContact C-N 3.32Å; Y112-L114 PolarHBondContact O-N 3.05Å; L114-V118 HydrophobicContact CD1-CG2 4.02Å; L114-V118 WeakPolarHBondContact O-CG2 3.42Å; L114-V118 PolarHBondContact O-N 2.88Å; L114-V118 VanDerWaalsContact O-N 3.12Å; L114-W133 HydrophobicContact CD1-CZ3 4.37Å; L114-V136 HydrophobicContact CD1-CG1 3.82Å; L114-L140 HydrophobicContact CB-CD1 3.94Å; L114-L140 HydrophobicContact CD1-CD1 3.72Å; L114-L140 HydrophobicContact CG-CD1 4.42Å; L114-L150 HydrophobicContact CD1-CD2 4.39Å; L114-L150 HydrophobicContact CD2-CD2 4.49Å; L114-Y154 HydrophobicContact CD1-CD2 4.09Å; L114-Y154 HydrophobicContact CD2-CD2 3.98Å; L114-Y154 HydrophobicContact CG-CD2 3.73Å; L114-Y154 HydrophobicContact CG-CE2 4.25Å; L114-L158 HydrophobicContact CD2-CD1 4.16Å; L114-L158 HydrophobicContact CG-CD1 4.31Å
115H93Very high91.1Very high22 Ų2257.9 Ų57.910%0.10229%0.292CS..Hα-helixtrans-58.6-54175.9-17763.4000110.9F84 L111 Y112 E113 E117 V118 Q119 Y154 L158F84-H115 HydrophobicContact CE2-CB 3.95Å; F84-H115 AromaticContact CE2-CD2 3.56Å; F84-H115 AromaticContact CE2-CG 3.73Å; F84-H115 HydrophobicContact CZ-CB 3.75Å; L111-H115 VanDerWaalsContact O-CB 3.27Å; L111-H115 WeakPolarHBondContact O-CB 3.47Å; L111-H115 PolarHBondContact O-N 3.28Å; Y112-H115 PolarHBondContact O-N 3.49Å; E113-H115 PolarHBondContact O-N 3.39Å; H115-E117 PolarHBondContact O-N 2.94Å; H115-V118 PolarHBondContact O-N 3.26Å; H115-Q119 WeakPolarHBondContact O-CB 3.47Å; H115-Q119 VanDerWaalsContact O-CG 3.26Å; H115-Q119 WeakPolarHBondContact O-CG 3.43Å; H115-Q119 PolarHBondContact O-N 3.19Å; H115-Y154 PolarHBondContact ND1-OH 3.27Å; H115-L158 HydrophobicContact CB-CD1 4.12Å
116R89.9Confident91.6Very high101 Ų10155 Ų5538%0.38127%0.274SS..Hα-helixtrans-57.6-44.7179.6-75.3-170.971.9-157.69.3113.2Y112 E113 Q119 R120Y112-R116 HydrophobicContact CE1-CG 4.42Å; Y112-R116 HydrophobicContact CE2-CG 4.11Å; Y112-R116 VanDerWaalsContact CZ-CD 3.48Å; Y112-R116 PolarHBondContact O-N 2.8Å; E113-R116 PolarHBondContact O-N 2.87Å; R116-Q119 PolarHBondContact O-N 3.24Å; R116-R120 VanDerWaalsContact O-CB 3.28Å; R116-R120 WeakPolarHBondContact O-CB 3.31Å; R116-R120 PolarHBondContact O-N 2.83Å
117E94.1Very high92.1Very high24 Ų2451.8 Ų51.811%0.11224%0.241CC..Hα-helixtrans-69.1-36.4-176.3-178.359.3-170.400112.3E113 H115 R120 R121 V136 A139E113-E117 VanDerWaalsContact O-CB 3.29Å; E113-E117 WeakPolarHBondContact O-CB 3.47Å; E113-E117 PolarHBondContact O-N 3.09Å; H115-E117 PolarHBondContact O-N 2.94Å; E117-R120 IonicContact OE1-CZ 2.91Å; E117-R120 IonicContact OE1-NE 3.32Å; E117-R120 IonicContact OE1-NH2 4Å; E117-R120 PolarHBondContact OE1-NH2 2.87Å; E117-R120 IonicContact OE2-CZ 2.71Å; E117-R120 IonicContact OE2-NE 3.09Å; E117-R120 PolarHBondContact OE2-NE 3.4Å; E117-R120 IonicContact OE2-NH2 3.75Å; E117-R120 PolarHBondContact OE2-NH2 2.87Å; E117-R121 WeakPolarHBondContact O-CD 3.41Å; E117-R121 VanDerWaalsContact O-CG 3.3Å; E117-R121 WeakPolarHBondContact O-CG 3.48Å; E117-R121 PolarHBondContact O-N 3.47Å; E117-R121 IonicContact OE1-CZ 2.75Å; E117-R121 IonicContact OE1-NE 3.69Å; E117-R121 PolarHBondContact OE1-NE 3.47Å; E117-R121 IonicContact OE1-NH2 3.32Å; E117-R121 PolarHBondContact OE1-NH2 3.18Å; E117-V136 HydrophobicContact CG-CB 4.47Å; E117-V136 HydrophobicContact CG-CG1 4.14Å; E117-V136 HydrophobicContact CG-CG2 4.32Å; E117-A139 HydrophobicContact CG-CB 3.94Å; E117-A139 WeakPolarHBondContact OE1-CB 3.36Å
118V95.6Very high92.5Very high0 Ų048.7 Ų48.70%023%0.233CC..Hα-helixtrans-69.7-42.3173.2170.60000110.9L114 H115 R120 R121 G122 G123 W133 V136 Y154L114-V118 HydrophobicContact CD1-CG2 4.02Å; L114-V118 WeakPolarHBondContact O-CG2 3.42Å; L114-V118 PolarHBondContact O-N 2.88Å; L114-V118 VanDerWaalsContact O-N 3.12Å; H115-V118 PolarHBondContact O-N 3.26Å; V118-R120 PolarHBondContact O-N 3.28Å; V118-R121 CarbonylContact O-C 3.39Å; V118-R121 PolarHBondContact O-N 2.88Å; V118-R121 VanDerWaalsContact O-N 3.1Å; V118-G122 PolarHBondContact O-N 3.36Å; V118-G123 VanDerWaalsContact CG1-C 3.46Å; V118-G123 WeakPolarHBondContact O-CA 3.32Å; V118-G123 PolarHBondContact O-N 2.62Å; V118-W133 HydrophobicContact CG2-CH2 3.91Å; V118-W133 HydrophobicContact CG2-CZ3 3.9Å; V118-V136 HydrophobicContact CG2-CG1 4.2Å; V118-V136 HydrophobicContact CG2-CG2 4.37Å; V118-Y154 HydrophobicContact CB-CD2 4.18Å; V118-Y154 HydrophobicContact CB-CE2 3.44Å; V118-Y154 VanDerWaalsContact CB-CE2 3.44Å; V118-Y154 HydrophobicContact CG1-CD2 4.32Å; V118-Y154 HydrophobicContact CG1-CE1 4.25Å; V118-Y154 HydrophobicContact CG1-CE2 3.62Å; V118-Y154 HydrophobicContact CG2-CD2 3.75Å; V118-Y154 HydrophobicContact CG2-CE2 3.52Å
119Q91.7Very high92.8Very high75 Ų7550.1 Ų50.135%0.3524%0.242SC..Hα-helixtrans-60.7-45.5175.6-71.6-52.6-56.900111.9H115 R116 R121 G122 Y154 E162H115-Q119 WeakPolarHBondContact O-CB 3.47Å; H115-Q119 VanDerWaalsContact O-CG 3.26Å; H115-Q119 WeakPolarHBondContact O-CG 3.43Å; H115-Q119 PolarHBondContact O-N 3.19Å; R116-Q119 PolarHBondContact O-N 3.24Å; Q119-R121 PolarHBondContact O-N 3.33Å; Q119-R121 VanDerWaalsContact O-N 3.07Å; Q119-G122 PolarHBondContact O-N 2.73Å; Q119-Y154 PolarHBondContact NE2-OH 2.89Å; Q119-E162 PolarHBondContact NE2-OE1 3.29Å; Q119-E162 PolarHBondContact NE2-OE2 3.24Å; Q119-E162 VanDerWaalsContact NE2-OE2 3.11Å
120R91.1Very high93Very high164 Ų16452.1 Ų52.162%0.61926%0.258SS*.Hα-helixtrans-57.5-24.8175.6-167.1-171.768.275.2-1.3113R116 E117 V118R116-R120 VanDerWaalsContact O-CB 3.28Å; R116-R120 WeakPolarHBondContact O-CB 3.31Å; R116-R120 PolarHBondContact O-N 2.83Å; E117-R120 IonicContact OE1-CZ 2.91Å; E117-R120 IonicContact OE1-NE 3.32Å; E117-R120 IonicContact OE1-NH2 4Å; E117-R120 PolarHBondContact OE1-NH2 2.87Å; E117-R120 IonicContact OE2-CZ 2.71Å; E117-R120 IonicContact OE2-NE 3.09Å; E117-R120 PolarHBondContact OE2-NE 3.4Å; E117-R120 IonicContact OE2-NH2 3.75Å; E117-R120 PolarHBondContact OE2-NH2 2.87Å; V118-R120 PolarHBondContact O-N 3.28Å
121R95.1Very high93.4Very high51 Ų5156.1 Ų56.119%0.19228%0.276CS..THydrogen-bonded Turntrans-98.512.9179.2-68.7174.1-176.3-91.2-0.9113.6E117 V118 Q119 Q126 C127 L132 Q135E117-R121 WeakPolarHBondContact O-CD 3.41Å; E117-R121 VanDerWaalsContact O-CG 3.3Å; E117-R121 WeakPolarHBondContact O-CG 3.48Å; E117-R121 PolarHBondContact O-N 3.47Å; E117-R121 IonicContact OE1-CZ 2.75Å; E117-R121 IonicContact OE1-NE 3.69Å; E117-R121 PolarHBondContact OE1-NE 3.47Å; E117-R121 IonicContact OE1-NH2 3.32Å; E117-R121 PolarHBondContact OE1-NH2 3.18Å; V118-R121 CarbonylContact O-C 3.39Å; V118-R121 PolarHBondContact O-N 2.88Å; V118-R121 VanDerWaalsContact O-N 3.1Å; Q119-R121 PolarHBondContact O-N 3.33Å; Q119-R121 VanDerWaalsContact O-N 3.07Å; R121-Q126 WeakPolarHBondContact O-CG 3.29Å; R121-C127 VanDerWaalsContact CB-SG 3.57Å; R121-L132 HydrophobicContact CB-CD1 4.08Å; R121-L132 HydrophobicContact CG-CD1 4.46Å; R121-Q135 VanDerWaalsContact NH1-CB 3.34Å; R121-Q135 PolarHBondContact NH2-O 3.09Å
122G92Very high93.6Very high56 Ų5658 Ų5858%0.57729%0.286SS*.THydrogen-bonded Turntrans93.215.9176.400000115.1V118 Q119 Q126V118-G122 PolarHBondContact O-N 3.36Å; Q119-G122 PolarHBondContact O-N 2.73Å; G122-Q126 VanDerWaalsContact O-CB 3.28Å; G122-Q126 WeakPolarHBondContact O-CB 3.26Å
123G92.9Very high94Very high5 Ų557.7 Ų57.75%0.05229%0.285CS..Hα-helixtrans88.5-179177.300000114V118 N125 C127V118-G123 VanDerWaalsContact CG1-C 3.46Å; V118-G123 WeakPolarHBondContact O-CA 3.32Å; V118-G123 PolarHBondContact O-N 2.62Å; G123-N125 PolarHBondContact O-N 3.42Å; G123-C127 PolarHBondContact O-N 3.35Å; G123-C127 PolarHBondContact O-SG 3Å; G123-C127 VanDerWaalsContact O-SG 3.38Å
124Y94.3Very high94.4Very high31 Ų3155.1 Ų55.112%0.12228%0.275CS..Hα-helixtrans-59.2-48.4-173.1-179.3-88.7000113C127 D128 W133 K151 Y154 A155 L159Y124-C127 PolarHBondContact O-N 2.59Å; Y124-D128 PolarHBondContact O-N 3.46Å; Y124-D128 VanDerWaalsContact O-N 3.09Å; Y124-W133 AromaticContact CD2-CH2 3.84Å; Y124-W133 HydrophobicContact CD2-CH2 3.84Å; Y124-W133 AromaticContact CD2-CZ2 3.49Å; Y124-W133 HydrophobicContact CD2-CZ2 3.49Å; Y124-W133 VanDerWaalsContact CD2-CZ2 3.49Å; Y124-W133 HydrophobicContact CE2-CH2 4.03Å; Y124-W133 AromaticContact CE2-CZ2 3.59Å; Y124-W133 HydrophobicContact CE2-CZ2 3.59Å; Y124-W133 HydrophobicContact CG-CZ2 4.27Å; Y124-K151 HydrophobicContact CE2-CG 3.96Å; Y124-K151 WeakPolarHBondContact OH-CE 3.34Å; Y124-K151 WeakPolarHBondContact OH-CG 3.12Å; Y124-Y154 AromaticContact CD2-CD1 3.53Å; Y124-Y154 HydrophobicContact CD2-CD1 3.53Å; Y124-Y154 HydrophobicContact CD2-CE1 4.19Å; Y124-Y154 HydrophobicContact CD2-CG 4.09Å; Y124-Y154 HydrophobicContact CE2-CD1 4.31Å; Y124-Y154 HydrophobicContact CG-CD1 4.37Å; Y124-A155 HydrophobicContact CE2-CB 4Å; Y124-L159 HydrophobicContact CD1-CD1 4.3Å; Y124-L159 HydrophobicContact CD1-CD2 4.2Å; Y124-L159 HydrophobicContact CE1-CD2 4.33Å; Y124-L159 HydrophobicContact CG-CD1 4Å; Y124-L159 HydrophobicContact CG-CD2 4.39Å
125N93.2Very high94.4Very high106 Ų10659 Ų5957%0.56729%0.294SS*.Hα-helixtrans-65.6-42.8-176.2-69.5-24.1000111.7G123 D128 Q129G123-N125 PolarHBondContact O-N 3.42Å; N125-D128 PolarHBondContact O-N 2.78Å; N125-Q129 WeakPolarHBondContact O-CB 3.47Å; N125-Q129 WeakPolarHBondContact O-CG 3.4Å; N125-Q129 PolarHBondContact O-N 2.74Å
126Q95.1Very high94.6Very high85 Ų8558 Ų5840%0.39729%0.289SS..Hα-helixtrans-64.4-43.1177-174.461.531.400111.4R121 G122 D128 Q129 A130R121-Q126 WeakPolarHBondContact O-CG 3.29Å; G122-Q126 VanDerWaalsContact O-CB 3.28Å; G122-Q126 WeakPolarHBondContact O-CB 3.26Å; Q126-D128 PolarHBondContact O-N 2.65Å; Q126-Q129 PolarHBondContact O-N 2.93Å; Q126-A130 WeakPolarHBondContact O-CB 3.2Å; Q126-A130 PolarHBondContact O-N 3Å
127C96.1Very high94.8Very high0 Ų053.2 Ų53.20%027%0.271CS..Hα-helixtrans-58.4-34.4174.8-76.40000112.5R121 G123 Y124 Q131 L132 W133R121-C127 VanDerWaalsContact CB-SG 3.57Å; G123-C127 PolarHBondContact O-N 3.35Å; G123-C127 PolarHBondContact O-SG 3Å; G123-C127 VanDerWaalsContact O-SG 3.38Å; Y124-C127 PolarHBondContact O-N 2.59Å; C127-Q131 PolarHBondContact O-N 3.34Å; C127-L132 HydrophobicContact CB-CB 4.48Å; C127-L132 PolarHBondContact O-N 3.44Å; C127-W133 HydrophobicContact CB-CD2 4.4Å; C127-W133 HydrophobicContact CB-CZ2 4.1Å
128D94.3Very high94.8Very high49 Ų4955.4 Ų55.426%0.26229%0.286SS..Hα-helixtrans-78.4-49.5179-157.134.6000112.7Y124 N125 Q126 A130 Q131 K151Y124-D128 PolarHBondContact O-N 3.46Å; Y124-D128 VanDerWaalsContact O-N 3.09Å; N125-D128 PolarHBondContact O-N 2.78Å; Q126-D128 PolarHBondContact O-N 2.65Å; D128-A130 PolarHBondContact O-N 2.81Å; D128-Q131 PolarHBondContact O-N 3.33Å; D128-Q131 VanDerWaalsContact O-N 3.16Å; D128-Q131 PolarHBondContact O-NE2 3.42Å; D128-K151 WeakPolarHBondContact OD1-CE 3.46Å; D128-K151 IonicContact OD1-NZ 2.64Å; D128-K151 PolarHBondContact OD1-NZ 3.11Å; D128-K151 IonicContact OD2-NZ 2.75Å; D128-K151 PolarHBondContact OD2-NZ 2.98Å
129Q95.5Very high94.7Very high152 Ų15257.9 Ų57.971%0.7131%0.307SS*.Hα-helixtrans-62.4-42.6-179.4-71.1176.3-300111.9N125 Q126 Q131N125-Q129 WeakPolarHBondContact O-CB 3.47Å; N125-Q129 WeakPolarHBondContact O-CG 3.4Å; N125-Q129 PolarHBondContact O-N 2.74Å; Q126-Q129 PolarHBondContact O-N 2.93Å; Q129-Q131 VanDerWaalsContact C-N 3.3Å; Q129-Q131 PolarHBondContact O-N 3.01Å
130A96.4Very high94.7Very high44 Ų4454.8 Ų54.836%0.36429%0.292SS..THydrogen-bonded Turntrans-88.18.8178.400000113.8Q126 D128 L132Q126-A130 WeakPolarHBondContact O-CB 3.2Å; Q126-A130 PolarHBondContact O-N 3Å; D128-A130 PolarHBondContact O-N 2.81Å; A130-L132 VanDerWaalsContact C-N 3.3Å; A130-L132 HydrophobicContact CB-CD1 4.02Å; A130-L132 HydrophobicContact CB-CD2 4.28Å; A130-L132 HydrophobicContact CB-CG 3.8Å; A130-L132 PolarHBondContact O-N 3.39Å
131Q96.2Very high94.7Very high120 Ų12051.4 Ų51.456%0.56129%0.293SS*.THydrogen-bonded Turntrans53.241.6177-59.9-70.7-68.300113.6C127 D128 Q129 Q135C127-Q131 PolarHBondContact O-N 3.34Å; D128-Q131 PolarHBondContact O-N 3.33Å; D128-Q131 VanDerWaalsContact O-N 3.16Å; D128-Q131 PolarHBondContact O-NE2 3.42Å; Q129-Q131 VanDerWaalsContact C-N 3.3Å; Q129-Q131 PolarHBondContact O-N 3.01Å; Q131-Q135 PolarHBondContact O-OE1 3.34Å
132L97.2Very high94.6Very high40 Ų4050 Ų5021%0.20929%0.289CS..  trans-89.2-5-173.2-58177.6000114.7R121 C127 A130 Q135 V136R121-L132 HydrophobicContact CB-CD1 4.08Å; R121-L132 HydrophobicContact CG-CD1 4.46Å; C127-L132 HydrophobicContact CB-CB 4.48Å; C127-L132 PolarHBondContact O-N 3.44Å; A130-L132 VanDerWaalsContact C-N 3.3Å; A130-L132 HydrophobicContact CB-CD1 4.02Å; A130-L132 HydrophobicContact CB-CD2 4.28Å; A130-L132 HydrophobicContact CB-CG 3.8Å; A130-L132 PolarHBondContact O-N 3.39Å; L132-Q135 PolarHBondContact O-N 3.02Å; L132-Q135 VanDerWaalsContact O-N 3.13Å; L132-Q135 PolarHBondContact O-OE1 2.93Å; L132-V136 WeakPolarHBondContact O-CG2 3.32Å; L132-V136 PolarHBondContact O-N 3.36Å
133W97Very high94.5Very high3 Ų351.9 Ų51.91%0.01129%0.286CS..Hα-helixtrans-59.6-37.7-176.3-72.1100.5000114.9L114 V118 Y124 C127 Q135 V136 A137 W147 L150 K151 Y154L114-W133 HydrophobicContact CD1-CZ3 4.37Å; V118-W133 HydrophobicContact CG2-CH2 3.91Å; V118-W133 HydrophobicContact CG2-CZ3 3.9Å; Y124-W133 AromaticContact CD2-CH2 3.84Å; Y124-W133 HydrophobicContact CD2-CH2 3.84Å; Y124-W133 AromaticContact CD2-CZ2 3.49Å; Y124-W133 HydrophobicContact CD2-CZ2 3.49Å; Y124-W133 VanDerWaalsContact CD2-CZ2 3.49Å; Y124-W133 HydrophobicContact CE2-CH2 4.03Å; Y124-W133 AromaticContact CE2-CZ2 3.59Å; Y124-W133 HydrophobicContact CE2-CZ2 3.59Å; Y124-W133 HydrophobicContact CG-CZ2 4.27Å; C127-W133 HydrophobicContact CB-CD2 4.4Å; C127-W133 HydrophobicContact CB-CZ2 4.1Å; W133-Q135 VanDerWaalsContact C-N 3.3Å; W133-Q135 PolarHBondContact O-N 3.04Å; W133-V136 WeakPolarHBondContact O-CB 3.23Å; W133-V136 PolarHBondContact O-N 3.01Å; W133-A137 PolarHBondContact O-N 3.44Å; W133-W147 HydrophobicContact CB-CB 3.94Å; W133-W147 HydrophobicContact CB-CD2 4.21Å; W133-W147 HydrophobicContact CB-CE3 3.69Å; W133-W147 HydrophobicContact CB-CG 4.36Å; W133-W147 HydrophobicContact CG-CE3 4.21Å; W133-L150 HydrophobicContact CE3-CB 4.44Å; W133-K151 HydrophobicContact CD2-CB 3.81Å; W133-K151 HydrophobicContact CD2-CG 4.22Å; W133-K151 HydrophobicContact CE3-CB 3.97Å; W133-K151 HydrophobicContact CG-CB 4.36Å; W133-K151 HydrophobicContact CH2-CB 4.28Å; W133-K151 HydrophobicContact CH2-CG 4.43Å; W133-K151 HydrophobicContact CZ2-CB 4.11Å; W133-K151 HydrophobicContact CZ2-CG 3.88Å; W133-K151 HydrophobicContact CZ3-CB 4.2Å; W133-Y154 HydrophobicContact CH2-CD2 4.08Å; W133-Y154 AromaticContact CH2-CG 3.91Å; W133-Y154 HydrophobicContact CH2-CG 3.91Å; W133-Y154 HydrophobicContact CZ3-CD2 4.5Å
134P96Very high94.4Very high30 Ų3056.7 Ų56.720%0.19531%0.307CS..Hα-helixtrans-58.9-40172.4-25.936.2000112.8A137 T138 Q144 W147P134-A137 WeakPolarHBondContact O-CB 3.3Å; P134-A137 PolarHBondContact O-N 2.75Å; P134-T138 PolarHBondContact O-N 3.2Å; P134-T138 PolarHBondContact O-OG1 2.86Å; P134-Q144 HydrophobicContact CB-CB 4.35Å; P134-Q144 HydrophobicContact CB-CG 4.39Å; P134-W147 HydrophobicContact CG-CB 4.47Å; P134-W147 HydrophobicContact CG-CG 4.17Å
135Q95.8Very high94.1Very high82 Ų8259.4 Ų59.438%0.38333%0.331SS..Hα-helixtrans-71.3-32.7177.9-60.983.3-11.200111.6R121 Q131 L132 W133 A137 T138 A139R121-Q135 VanDerWaalsContact NH1-CB 3.34Å; R121-Q135 PolarHBondContact NH2-O 3.09Å; Q131-Q135 PolarHBondContact O-OE1 3.34Å; L132-Q135 PolarHBondContact O-N 3.02Å; L132-Q135 VanDerWaalsContact O-N 3.13Å; L132-Q135 PolarHBondContact O-OE1 2.93Å; W133-Q135 VanDerWaalsContact C-N 3.3Å; W133-Q135 PolarHBondContact O-N 3.04Å; Q135-A137 VanDerWaalsContact C-N 3.33Å; Q135-T138 PolarHBondContact O-N 3Å; Q135-A139 WeakPolarHBondContact O-CB 3.16Å; Q135-A139 PolarHBondContact O-N 3.44Å
136V96.3Very high94Very high0 Ų054.7 Ų54.70%031%0.306CS..Hα-helixtrans-60.6-43.9169.3174.90000110.3L114 E117 V118 L132 W133 A139 L140L114-V136 HydrophobicContact CD1-CG1 3.82Å; E117-V136 HydrophobicContact CG-CB 4.47Å; E117-V136 HydrophobicContact CG-CG1 4.14Å; E117-V136 HydrophobicContact CG-CG2 4.32Å; V118-V136 HydrophobicContact CG2-CG1 4.2Å; V118-V136 HydrophobicContact CG2-CG2 4.37Å; L132-V136 WeakPolarHBondContact O-CG2 3.32Å; L132-V136 PolarHBondContact O-N 3.36Å; W133-V136 WeakPolarHBondContact O-CB 3.23Å; W133-V136 PolarHBondContact O-N 3.01Å; V136-A139 PolarHBondContact O-N 2.86Å; V136-L140 HydrophobicContact CG1-CD1 3.98Å; V136-L140 WeakPolarHBondContact O-CG 3.15Å; V136-L140 PolarHBondContact O-N 3.31Å; V136-L140 VanDerWaalsContact O-N 3.09Å
137A94.8Very high93.9Very high0 Ų054 Ų540%030%0.299CS..Hα-helixtrans-60.6-47.9176.800000111.6W133 P134 Q135 A139 L140 S141 F142 L150W133-A137 PolarHBondContact O-N 3.44Å; P134-A137 WeakPolarHBondContact O-CB 3.3Å; P134-A137 PolarHBondContact O-N 2.75Å; Q135-A137 VanDerWaalsContact C-N 3.33Å; A137-A139 PolarHBondContact O-N 3.03Å; A137-L140 PolarHBondContact O-N 3.5Å; A137-S141 PolarHBondContact O-N 3.45Å; A137-F142 CarbonylContact C-O 3.38Å; A137-F142 HydrophobicContact CB-CB 4.46Å; A137-F142 PolarHBondContact O-N 3.45Å; A137-F142 VanDerWaalsContact O-O 3.12Å; A137-L150 HydrophobicContact CB-CD1 3.55Å
138T94.1Very high93.9Very high71 Ų7160.7 Ų60.744%0.43633%0.329SS..Hα-helixtrans-58.7-44.5175.9-57.90000112.1P134 Q135 L140 S141 Q144P134-T138 PolarHBondContact O-N 3.2Å; P134-T138 PolarHBondContact O-OG1 2.86Å; Q135-T138 PolarHBondContact O-N 3Å; T138-L140 VanDerWaalsContact C-N 3.27Å; T138-L140 PolarHBondContact O-N 3.48Å; T138-S141 WeakPolarHBondContact O-CA 3.3Å; T138-S141 PolarHBondContact O-N 3.41Å; T138-Q144 VanDerWaalsContact OG1-CG 3.25Å; T138-Q144 WeakPolarHBondContact OG1-CG 3.28Å; T138-Q144 PolarHBondContact OG1-NE2 3.34Å; T138-Q144 VanDerWaalsContact OG1-NE2 3.13Å
139A93.5Very high93.8Very high52 Ų5263.3 Ų63.343%0.4334%0.339SS..Hα-helixtrans-62.3-33.5179.200000112.9E117 Q135 V136 A137 S141E117-A139 HydrophobicContact CG-CB 3.94Å; E117-A139 WeakPolarHBondContact OE1-CB 3.36Å; Q135-A139 WeakPolarHBondContact O-CB 3.16Å; Q135-A139 PolarHBondContact O-N 3.44Å; V136-A139 PolarHBondContact O-N 2.86Å; A137-A139 PolarHBondContact O-N 3.03Å; A139-S141 PolarHBondContact O-N 3.43Å
140L92.6Very high93.8Very high10 Ų1056 Ų565%0.05231%0.305CS..THydrogen-bonded Turntrans-84.45.9175.3-63.8172.5000113.4R107 E113 L114 V136 A137 T138 F142 L150R107-L140 PolarHBondContact NH1-O 3.07Å; E113-L140 HydrophobicContact CB-CD2 3.49Å; E113-L140 VanDerWaalsContact CB-CD2 3.49Å; L114-L140 HydrophobicContact CB-CD1 3.94Å; L114-L140 HydrophobicContact CD1-CD1 3.72Å; L114-L140 HydrophobicContact CG-CD1 4.42Å; V136-L140 HydrophobicContact CG1-CD1 3.98Å; V136-L140 WeakPolarHBondContact O-CG 3.15Å; V136-L140 PolarHBondContact O-N 3.31Å; V136-L140 VanDerWaalsContact O-N 3.09Å; A137-L140 PolarHBondContact O-N 3.5Å; T138-L140 VanDerWaalsContact C-N 3.27Å; T138-L140 PolarHBondContact O-N 3.48Å; L140-F142 VanDerWaalsContact C-N 3.27Å; L140-F142 HydrophobicContact CB-CD2 3.7Å; L140-F142 HydrophobicContact CB-CE2 4.15Å; L140-F142 PolarHBondContact O-N 3.3Å; L140-L150 HydrophobicContact CD1-CD2 4.3Å
141S91.3Very high93.7Very high92 Ų9256.1 Ų56.164%0.64330%0.298SS*.THydrogen-bonded Turntrans56.440.7-175-36.80000112.8R107 A137 T138 A139R107-S141 PolarHBondContact NH1-O 3.27Å; A137-S141 PolarHBondContact O-N 3.45Å; T138-S141 WeakPolarHBondContact O-CA 3.3Å; T138-S141 PolarHBondContact O-N 3.41Å; A139-S141 PolarHBondContact O-N 3.43Å
142F92.2Very high93.6Very high22 Ų2253 Ų5310%0.09629%0.289CS..  trans-106.1156.9164.5-70.6-74.3000109.7F104 R107 L109 A137 L140 C146F104-F142 HydrophobicContact CB-CD1 3.98Å; F104-F142 HydrophobicContact CB-CE1 3.74Å; F104-F142 HydrophobicContact CD2-CD1 4.38Å; F104-F142 HydrophobicContact CD2-CE1 4.08Å; F104-F142 HydrophobicContact CD2-CZ 4.16Å; F104-F142 HydrophobicContact CG-CE1 4.43Å; R107-F142 HydrophobicContact CB-CE1 4.09Å; R107-F142 HydrophobicContact CB-CZ 4.43Å; R107-F142 HydrophobicContact CG-CE1 4.33Å; R107-F142 HydrophobicContact CG-CZ 4.25Å; L109-F142 HydrophobicContact CD1-CE2 4.01Å; A137-F142 CarbonylContact C-O 3.38Å; A137-F142 HydrophobicContact CB-CB 4.46Å; A137-F142 PolarHBondContact O-N 3.45Å; A137-F142 VanDerWaalsContact O-O 3.12Å; L140-F142 VanDerWaalsContact C-N 3.27Å; L140-F142 HydrophobicContact CB-CD2 3.7Å; L140-F142 HydrophobicContact CB-CE2 4.15Å; L140-F142 PolarHBondContact O-N 3.3Å; F142-C146 HydrophobicContact CB-CB 4.39Å
143D90.5Very high93.4Very high96 Ų9651.7 Ų51.751%0.51328%0.283SS..  trans-61.5144.5171.9-175.4-99.1000110.5S145 C146D143-S145 PolarHBondContact O-N 2.94Å; D143-S145 VanDerWaalsContact O-N 3.16Å; D143-S145 WeakPolarHBondContact OD1-CB 3.47Å; D143-S145 PolarHBondContact OD1-N 3.16Å; D143-S145 PolarHBondContact OD1-OG 2.95Å; D143-C146 WeakPolarHBondContact O-CB 3.46Å; D143-C146 PolarHBondContact O-N 3.44Å
144Q89.9Confident93.3Very high106 Ų10651.5 Ų51.550%0.49528%0.282SS..G310 helixtrans-58.3-31.8-178.7-70.8-173.23.500111.9P134 T138 C146 W147P134-Q144 HydrophobicContact CB-CB 4.35Å; P134-Q144 HydrophobicContact CB-CG 4.39Å; T138-Q144 VanDerWaalsContact OG1-CG 3.25Å; T138-Q144 WeakPolarHBondContact OG1-CG 3.28Å; T138-Q144 PolarHBondContact OG1-NE2 3.34Å; T138-Q144 VanDerWaalsContact OG1-NE2 3.13Å; Q144-C146 PolarHBondContact O-N 3.15Å; Q144-C146 VanDerWaalsContact O-N 3.13Å; Q144-W147 WeakPolarHBondContact O-CB 3.36Å; Q144-W147 PolarHBondContact O-N 3.47Å; Q144-W147 VanDerWaalsContact O-N 3.15Å
145S88.9Confident93.1Very high88 Ų8852 Ų5262%0.61529%0.288SS*.G310 helixtrans-61.2-21.5177.967.60000114.3D143 W147D143-S145 PolarHBondContact O-N 2.94Å; D143-S145 VanDerWaalsContact O-N 3.16Å; D143-S145 WeakPolarHBondContact OD1-CB 3.47Å; D143-S145 PolarHBondContact OD1-N 3.16Å; D143-S145 PolarHBondContact OD1-OG 2.95Å; S145-W147 PolarHBondContact O-N 3.29Å
146C91.2Very high92.7Very high7 Ų754 Ų545%0.04730%0.298CS..G310 helixtrans-73.5-6.1178.3-62.10000113.5F142 D143 Q144 K148 Q149 L150F142-C146 HydrophobicContact CB-CB 4.39Å; D143-C146 WeakPolarHBondContact O-CB 3.46Å; D143-C146 PolarHBondContact O-N 3.44Å; Q144-C146 PolarHBondContact O-N 3.15Å; Q144-C146 VanDerWaalsContact O-N 3.13Å; C146-K148 VanDerWaalsContact C-N 3.27Å; C146-K148 PolarHBondContact O-N 3.27Å; C146-K148 VanDerWaalsContact O-N 3.16Å; C146-Q149 WeakPolarHBondContact O-CB 3.2Å; C146-Q149 PolarHBondContact O-N 3.12Å; C146-L150 PolarHBondContact O-N 2.87Å
147W93.2Very high92.4Very high69 Ų6955 Ų5526%0.26130%0.303SS..Hα-helixtrans-55.2-37.5-17378.1-106.1000113.7W133 P134 Q144 S145 Q149 L150 K151W133-W147 HydrophobicContact CB-CB 3.94Å; W133-W147 HydrophobicContact CB-CD2 4.21Å; W133-W147 HydrophobicContact CB-CE3 3.69Å; W133-W147 HydrophobicContact CB-CG 4.36Å; W133-W147 HydrophobicContact CG-CE3 4.21Å; P134-W147 HydrophobicContact CG-CB 4.47Å; P134-W147 HydrophobicContact CG-CG 4.17Å; Q144-W147 WeakPolarHBondContact O-CB 3.36Å; Q144-W147 PolarHBondContact O-N 3.47Å; Q144-W147 VanDerWaalsContact O-N 3.15Å; S145-W147 PolarHBondContact O-N 3.29Å; W147-Q149 VanDerWaalsContact C-N 3.34Å; W147-Q149 PolarHBondContact O-N 2.87Å; W147-L150 PolarHBondContact O-N 2.86Å; W147-K151 HydrophobicContact CZ3-CD 4.2Å; W147-K151 WeakPolarHBondContact O-CB 3.48Å; W147-K151 PolarHBondContact O-N 2.84Å
148K94.2Very high92.3Very high141 Ų14155 Ų5561%0.61330%0.303SS*.Hα-helixtrans-63.4-39.8178-67.3-176.9-179.2177.80112C146 S152C146-K148 VanDerWaalsContact C-N 3.27Å; C146-K148 PolarHBondContact O-N 3.27Å; C146-K148 VanDerWaalsContact O-N 3.16Å; K148-S152 WeakPolarHBondContact O-CB 3.26Å; K148-S152 PolarHBondContact O-N 2.83Å
149Q93.6Very high92.1Very high104 Ų10453.1 Ų53.149%0.48629%0.29SS..Hα-helixtrans-71.7-37.1178.1-63.6176.4-28.300111.3F104 C146 W147 S153F104-Q149 HydrophobicContact CD1-CB 4.25Å; F104-Q149 HydrophobicContact CE1-CB 3.59Å; F104-Q149 HydrophobicContact CE1-CG 4.4Å; F104-Q149 HydrophobicContact CZ-CB 3.88Å; C146-Q149 WeakPolarHBondContact O-CB 3.2Å; C146-Q149 PolarHBondContact O-N 3.12Å; W147-Q149 VanDerWaalsContact C-N 3.34Å; W147-Q149 PolarHBondContact O-N 2.87Å; Q149-S153 WeakPolarHBondContact O-CB 3.49Å; Q149-S153 PolarHBondContact O-N 2.91Å; Q149-S153 PolarHBondContact O-OG 2.97Å
150L94.1Very high91.6Very high0 Ų050.9 Ų50.90%027%0.272CS..Hα-helixtrans-62.4-48.9173.1-69.7168.5000111.3F104 L109 L114 W133 A137 L140 C146 W147 S152 S153 Y154F104-L150 HydrophobicContact CD2-CD2 4.11Å; F104-L150 HydrophobicContact CE2-CD2 3.53Å; F104-L150 HydrophobicContact CE2-CG 4.15Å; F104-L150 HydrophobicContact CZ-CD2 4.47Å; L109-L150 HydrophobicContact CD1-CD2 3.42Å; L109-L150 VanDerWaalsContact CD1-CD2 3.42Å; L109-L150 HydrophobicContact CD2-CD2 4.35Å; L109-L150 HydrophobicContact CG-CD2 4.49Å; L114-L150 HydrophobicContact CD1-CD2 4.39Å; L114-L150 HydrophobicContact CD2-CD2 4.49Å; W133-L150 HydrophobicContact CE3-CB 4.44Å; A137-L150 HydrophobicContact CB-CD1 3.55Å; L140-L150 HydrophobicContact CD1-CD2 4.3Å; C146-L150 PolarHBondContact O-N 2.87Å; W147-L150 PolarHBondContact O-N 2.86Å; L150-S152 PolarHBondContact O-N 3.18Å; L150-S153 PolarHBondContact O-N 3.39Å; L150-Y154 PolarHBondContact O-N 3.38Å
151K95.1Very high91.2Very high46 Ų4651.3 Ų51.320%0.227%0.273CS..Hα-helixtrans-56.7-47.8176-179.4-179.6177.3-1790111.7Y124 D128 W133 W147 Y154 A155Y124-K151 HydrophobicContact CE2-CG 3.96Å; Y124-K151 WeakPolarHBondContact OH-CE 3.34Å; Y124-K151 WeakPolarHBondContact OH-CG 3.12Å; D128-K151 WeakPolarHBondContact OD1-CE 3.46Å; D128-K151 IonicContact OD1-NZ 2.64Å; D128-K151 PolarHBondContact OD1-NZ 3.11Å; D128-K151 IonicContact OD2-NZ 2.75Å; D128-K151 PolarHBondContact OD2-NZ 2.98Å; W133-K151 HydrophobicContact CD2-CB 3.81Å; W133-K151 HydrophobicContact CD2-CG 4.22Å; W133-K151 HydrophobicContact CE3-CB 3.97Å; W133-K151 HydrophobicContact CG-CB 4.36Å; W133-K151 HydrophobicContact CH2-CB 4.28Å; W133-K151 HydrophobicContact CH2-CG 4.43Å; W133-K151 HydrophobicContact CZ2-CB 4.11Å; W133-K151 HydrophobicContact CZ2-CG 3.88Å; W133-K151 HydrophobicContact CZ3-CB 4.2Å; W147-K151 HydrophobicContact CZ3-CD 4.2Å; W147-K151 WeakPolarHBondContact O-CB 3.48Å; W147-K151 PolarHBondContact O-N 2.84Å; K151-Y154 PolarHBondContact O-N 2.63Å; K151-A155 PolarHBondContact O-N 2.82Å
152S93.6Very high90.9Very high55 Ų5548.3 Ų48.339%0.38525%0.249SC..Hα-helixtrans-62.1-45177.9-176.30000111.9K148 L150 Y154 A155 Q156K148-S152 WeakPolarHBondContact O-CB 3.26Å; K148-S152 PolarHBondContact O-N 2.83Å; L150-S152 PolarHBondContact O-N 3.18Å; S152-Y154 VanDerWaalsContact C-N 3.33Å; S152-Y154 PolarHBondContact O-N 3.47Å; S152-A155 PolarHBondContact O-N 2.8Å; S152-Q156 WeakPolarHBondContact O-CB 3.46Å; S152-Q156 VanDerWaalsContact O-CG 3.31Å; S152-Q156 WeakPolarHBondContact O-CG 3.35Å; S152-Q156 PolarHBondContact O-N 3.41Å
153S93.4Very high90.5Very high11 Ų1151.1 Ų51.18%0.07726%0.264CS..Hα-helixtrans-63-39.3177.6-59.60000112.1Q149 L150 L157Q149-S153 WeakPolarHBondContact O-CB 3.49Å; Q149-S153 PolarHBondContact O-N 2.91Å; Q149-S153 PolarHBondContact O-OG 2.97Å; L150-S153 PolarHBondContact O-N 3.39Å; S153-L157 WeakPolarHBondContact O-CB 3.5Å; S153-L157 PolarHBondContact O-N 3.11Å
154Y94.5Very high89.9Confident0 Ų048.3 Ų48.30%025%0.248CC..Hα-helixtrans-62.7-50175.4-160.2-73.1000111.6L114 H115 V118 Q119 Y124 W133 L150 K151 S152 Q156 L157 L158 L159 E162L114-Y154 HydrophobicContact CD1-CD2 4.09Å; L114-Y154 HydrophobicContact CD2-CD2 3.98Å; L114-Y154 HydrophobicContact CG-CD2 3.73Å; L114-Y154 HydrophobicContact CG-CE2 4.25Å; H115-Y154 PolarHBondContact ND1-OH 3.27Å; V118-Y154 HydrophobicContact CB-CD2 4.18Å; V118-Y154 HydrophobicContact CB-CE2 3.44Å; V118-Y154 VanDerWaalsContact CB-CE2 3.44Å; V118-Y154 HydrophobicContact CG1-CD2 4.32Å; V118-Y154 HydrophobicContact CG1-CE1 4.25Å; V118-Y154 HydrophobicContact CG1-CE2 3.62Å; V118-Y154 HydrophobicContact CG2-CD2 3.75Å; V118-Y154 HydrophobicContact CG2-CE2 3.52Å; Q119-Y154 PolarHBondContact NE2-OH 2.89Å; Y124-Y154 AromaticContact CD2-CD1 3.53Å; Y124-Y154 HydrophobicContact CD2-CD1 3.53Å; Y124-Y154 HydrophobicContact CD2-CE1 4.19Å; Y124-Y154 HydrophobicContact CD2-CG 4.09Å; Y124-Y154 HydrophobicContact CE2-CD1 4.31Å; Y124-Y154 HydrophobicContact CG-CD1 4.37Å; W133-Y154 HydrophobicContact CH2-CD2 4.08Å; W133-Y154 AromaticContact CH2-CG 3.91Å; W133-Y154 HydrophobicContact CH2-CG 3.91Å; W133-Y154 HydrophobicContact CZ3-CD2 4.5Å; L150-Y154 PolarHBondContact O-N 3.38Å; K151-Y154 PolarHBondContact O-N 2.63Å; S152-Y154 VanDerWaalsContact C-N 3.33Å; S152-Y154 PolarHBondContact O-N 3.47Å; Y154-Q156 VanDerWaalsContact C-N 3.28Å; Y154-Q156 PolarHBondContact O-N 3.07Å; Y154-L157 PolarHBondContact O-N 3.38Å; Y154-L158 HydrophobicContact CD1-CB 3.88Å; Y154-L158 HydrophobicContact CD2-CB 4.32Å; Y154-L158 HydrophobicContact CD2-CD1 3.72Å; Y154-L158 HydrophobicContact CE1-CB 3.85Å; Y154-L158 HydrophobicContact CE2-CB 4.28Å; Y154-L158 HydrophobicContact CE2-CD1 3.77Å; Y154-L158 HydrophobicContact CG-CB 4.13Å; Y154-L158 HydrophobicContact CG-CD1 4.21Å; Y154-L158 WeakPolarHBondContact O-CA 3.13Å; Y154-L158 WeakPolarHBondContact O-CB 3.45Å; Y154-L158 PolarHBondContact O-N 3.06Å; Y154-L159 HydrophobicContact CD1-CB 4.32Å; Y154-L159 PolarHBondContact O-N 2.87Å; Y154-E162 VanDerWaalsContact CE1-OE2 3.3Å; Y154-E162 WeakPolarHBondContact CE1-OE2 3.06Å; Y154-E162 PolarHBondContact OH-OE2 3.47Å
155A91.6Very high89.3Confident39 Ų3945.8 Ų45.832%0.32224%0.238SC..Hα-helixtrans-59.3-40.818000000111.9Y124 K151 S152Y124-A155 HydrophobicContact CE2-CB 4Å; K151-A155 PolarHBondContact O-N 2.82Å; S152-A155 PolarHBondContact O-N 2.8Å
156Q88Confident88.7Confident125 Ų12543.8 Ų43.858%0.58423%0.227SC*.Hα-helixtrans-74.8-35.7-178.3-71.5177.71.200113.9S152 Y154S152-Q156 WeakPolarHBondContact O-CB 3.46Å; S152-Q156 VanDerWaalsContact O-CG 3.31Å; S152-Q156 WeakPolarHBondContact O-CG 3.35Å; S152-Q156 PolarHBondContact O-N 3.41Å; Y154-Q156 VanDerWaalsContact C-N 3.28Å; Y154-Q156 PolarHBondContact O-N 3.07Å
157L90.4Very high87.9Confident20 Ų2049.3 Ų49.311%0.10525%0.25CS..Hα-helixtrans-110.6-28.5-169-60.9176.4000114L88 L92 L99 P102 L111 S153 Y154L88-L157 VanDerWaalsContact CD1-O 3.32Å; L88-L157 WeakPolarHBondContact CD1-O 3.46Å; L92-L157 HydrophobicContact CD1-CD2 4.21Å; L99-L157 HydrophobicContact CD1-CD2 4.49Å; P102-L157 HydrophobicContact CG-CD1 4.03Å; L111-L157 HydrophobicContact CD1-CD1 4.05Å; L111-L157 HydrophobicContact CD2-CD1 4.06Å; S153-L157 WeakPolarHBondContact O-CB 3.5Å; S153-L157 PolarHBondContact O-N 3.11Å; Y154-L157 PolarHBondContact O-N 3.38Å
158L91.6Very high86.7Confident0 Ų046.3 Ų46.30%024%0.239CC..THydrogen-bonded Turntrans-120.4-35.1-166-63.2177000114.1F84 L88 L111 L114 H115 Y154 A160 Y161 E162F84-L158 HydrophobicContact CE1-CD2 4.41Å; F84-L158 HydrophobicContact CE2-CD2 4.45Å; F84-L158 HydrophobicContact CZ-CD2 3.62Å; L88-L158 HydrophobicContact CD1-CD2 4.14Å; L88-L158 HydrophobicContact CD2-CD2 3.6Å; L111-L158 HydrophobicContact CD2-CD1 4.37Å; L114-L158 HydrophobicContact CD2-CD1 4.16Å; L114-L158 HydrophobicContact CG-CD1 4.31Å; H115-L158 HydrophobicContact CB-CD1 4.12Å; Y154-L158 HydrophobicContact CD1-CB 3.88Å; Y154-L158 HydrophobicContact CD2-CB 4.32Å; Y154-L158 HydrophobicContact CD2-CD1 3.72Å; Y154-L158 HydrophobicContact CE1-CB 3.85Å; Y154-L158 HydrophobicContact CE2-CB 4.28Å; Y154-L158 HydrophobicContact CE2-CD1 3.77Å; Y154-L158 HydrophobicContact CG-CB 4.13Å; Y154-L158 HydrophobicContact CG-CD1 4.21Å; Y154-L158 WeakPolarHBondContact O-CA 3.13Å; Y154-L158 WeakPolarHBondContact O-CB 3.45Å; Y154-L158 PolarHBondContact O-N 3.06Å; L158-A160 PolarHBondContact O-N 3.2Å; L158-Y161 WeakPolarHBondContact O-CB 3.45Å; L158-Y161 PolarHBondContact O-N 2.93Å; L158-Y161 VanDerWaalsContact O-N 3.1Å; L158-E162 PolarHBondContact O-N 3.38Å
159L90.4Very high85.4Confident32 Ų3243.5 Ų43.517%0.16823%0.231CC..Hα-helixtrans-59.3-45.8-172.4178.859.6000112.8Y124 Y154 Y161 E162 L163Y124-L159 HydrophobicContact CD1-CD1 4.3Å; Y124-L159 HydrophobicContact CD1-CD2 4.2Å; Y124-L159 HydrophobicContact CE1-CD2 4.33Å; Y124-L159 HydrophobicContact CG-CD1 4Å; Y124-L159 HydrophobicContact CG-CD2 4.39Å; Y154-L159 HydrophobicContact CD1-CB 4.32Å; Y154-L159 PolarHBondContact O-N 2.87Å; L159-Y161 PolarHBondContact O-N 3.36Å; L159-E162 PolarHBondContact O-N 2.91Å; L159-L163 HydrophobicContact CD1-CD1 4.01Å; L159-L163 HydrophobicContact CD1-CG 4.2Å; L159-L163 HydrophobicContact CG-CD1 4.06Å; L159-L163 WeakPolarHBondContact O-CG 3.4Å; L159-L163 PolarHBondContact O-N 2.87Å
160A83.9Confident84.3Confident6 Ų645.1 Ų45.15%0.0524%0.238CC..Hα-helixtrans-57.7-49.1174.400000111.9F91 L158 E162 L163 H164 L236F91-A160 HydrophobicContact CE1-CB 3.93Å; F91-A160 HydrophobicContact CZ-CB 4.02Å; L158-A160 PolarHBondContact O-N 3.2Å; A160-E162 VanDerWaalsContact C-N 3.32Å; A160-E162 PolarHBondContact O-N 3.25Å; A160-L163 PolarHBondContact O-N 2.92Å; A160-H164 PolarHBondContact O-N 3.4Å; A160-H164 VanDerWaalsContact O-N 3.12Å; A160-H164 PolarHBondContact O-ND1 3.31Å; A160-L236 HydrophobicContact CB-CD2 4.48Å; A160-L236 HydrophobicContact CB-CG 4.09Å; A160-L236 WeakPolarHBondContact CB-O 3.24Å
161Y84.4Confident82.8Confident18 Ų1849.4 Ų49.47%0.07126%0.261CS..Hα-helixtrans-59.2-43.5-179.6170.6-105.7000111.7F84 T87 L88 F91 L158 L159 L165F84-Y161 HydrophobicContact CD2-CE1 4.21Å; F84-Y161 HydrophobicContact CE2-CD1 4.43Å; F84-Y161 AromaticContact CE2-CE1 3.92Å; F84-Y161 HydrophobicContact CE2-CE1 3.92Å; T87-Y161 HydrophobicContact CG2-CE2 3.69Å; L88-Y161 HydrophobicContact CD1-CD1 4.31Å; L88-Y161 HydrophobicContact CD1-CD2 4.46Å; L88-Y161 HydrophobicContact CD1-CG 3.99Å; F91-Y161 HydrophobicContact CB-CD2 4.07Å; F91-Y161 HydrophobicContact CD1-CD2 4.16Å; F91-Y161 HydrophobicContact CD1-CG 4.48Å; F91-Y161 HydrophobicContact CD2-CD2 4.24Å; F91-Y161 AromaticContact CG-CD2 3.88Å; F91-Y161 HydrophobicContact CG-CD2 3.88Å; L158-Y161 WeakPolarHBondContact O-CB 3.45Å; L158-Y161 PolarHBondContact O-N 2.93Å; L158-Y161 VanDerWaalsContact O-N 3.1Å; L159-Y161 PolarHBondContact O-N 3.36Å; Y161-L165 WeakPolarHBondContact O-CB 3.48Å; Y161-L165 PolarHBondContact O-N 3.1Å
162E84.4Confident80.7Confident29 Ų2950.3 Ų50.314%0.13627%0.274CS..Hα-helixtrans-60.9-51.3176.4176.4-172.1167.900112.7Q119 Y154 L158 L159 A160 H164 L165 A166Q119-E162 PolarHBondContact NE2-OE1 3.29Å; Q119-E162 PolarHBondContact NE2-OE2 3.24Å; Q119-E162 VanDerWaalsContact NE2-OE2 3.11Å; Y154-E162 VanDerWaalsContact CE1-OE2 3.3Å; Y154-E162 WeakPolarHBondContact CE1-OE2 3.06Å; Y154-E162 PolarHBondContact OH-OE2 3.47Å; L158-E162 PolarHBondContact O-N 3.38Å; L159-E162 PolarHBondContact O-N 2.91Å; A160-E162 VanDerWaalsContact C-N 3.32Å; A160-E162 PolarHBondContact O-N 3.25Å; E162-H164 VanDerWaalsContact C-N 3.28Å; E162-H164 PolarHBondContact O-N 3.33Å; E162-L165 WeakPolarHBondContact O-CB 3.27Å; E162-L165 PolarHBondContact O-N 3.5Å; E162-L165 VanDerWaalsContact O-N 3.1Å; E162-A166 PolarHBondContact O-N 2.88Å
163L84.1Confident77.9Confident81 Ų8153.6 Ų53.642%0.42429%0.286SS..Hα-helixtrans-61.9-38.4-177.8-70.6170000111.9L159 A160 K167 L236L159-L163 HydrophobicContact CD1-CD1 4.01Å; L159-L163 HydrophobicContact CD1-CG 4.2Å; L159-L163 HydrophobicContact CG-CD1 4.06Å; L159-L163 WeakPolarHBondContact O-CG 3.4Å; L159-L163 PolarHBondContact O-N 2.87Å; A160-L163 PolarHBondContact O-N 2.92Å; L163-K167 PolarHBondContact O-N 3.25Å; L163-K167 VanDerWaalsContact O-N 3.12Å; L163-L236 HydrophobicContact CD1-CD2 3.46Å; L163-L236 VanDerWaalsContact CD1-CD2 3.46Å
164H77.6Confident74.9Confident38 Ų3858.7 Ų58.718%0.17632%0.319CS..Hα-helixtrans-69.8-38.4175-68.599.1000111.9F91 A160 E162 A166 K167 V168 P250 I254F91-H164 HydrophobicContact CE2-CB 4.26Å; F91-H164 AromaticContact CE2-ND1 3.81Å; F91-H164 AromaticContact CZ-ND1 3.56Å; A160-H164 PolarHBondContact O-N 3.4Å; A160-H164 VanDerWaalsContact O-N 3.12Å; A160-H164 PolarHBondContact O-ND1 3.31Å; E162-H164 VanDerWaalsContact C-N 3.28Å; E162-H164 PolarHBondContact O-N 3.33Å; H164-A166 VanDerWaalsContact C-N 3.34Å; H164-A166 PolarHBondContact O-N 2.89Å; H164-K167 PolarHBondContact O-N 3.29Å; H164-V168 VanDerWaalsContact O-CG2 3.3Å; H164-V168 WeakPolarHBondContact O-CG2 3.16Å; H164-V168 PolarHBondContact O-N 3Å; H164-P250 HydrophobicContact CB-CB 4.39Å; H164-P250 WeakPolarHBondContact CD2-CB 3.38Å; H164-P250 WeakPolarHBondContact NE2-CG 3.33Å; H164-I254 VanDerWaalsContact C-CD1 3.41Å; H164-I254 HydrophobicContact CB-CD1 3.52Å; H164-I254 WeakPolarHBondContact O-CD1 3.29Å
165L77.6Confident72Confident52 Ų5262.8 Ų62.827%0.27235%0.353SS..Hα-helixtrans-62.7-41.7176-17167.4000111.7Y161 E162 N169 I254Y161-L165 WeakPolarHBondContact O-CB 3.48Å; Y161-L165 PolarHBondContact O-N 3.1Å; E162-L165 WeakPolarHBondContact O-CB 3.27Å; E162-L165 PolarHBondContact O-N 3.5Å; E162-L165 VanDerWaalsContact O-N 3.1Å; L165-N169 PolarHBondContact O-N 2.94Å; L165-N169 PolarHBondContact O-ND2 3.19Å; L165-I254 HydrophobicContact CD1-CG2 4.19Å
166A76.4Confident69Low47 Ų4768.2 Ų68.239%0.38838%0.376SS..Hα-helixtrans-62-48.6176.200000111.9E162 H164 V168 N169 E170E162-A166 PolarHBondContact O-N 2.88Å; H164-A166 VanDerWaalsContact C-N 3.34Å; H164-A166 PolarHBondContact O-N 2.89Å; A166-V168 PolarHBondContact O-N 3.16Å; A166-N169 WeakPolarHBondContact O-CB 3.44Å; A166-N169 PolarHBondContact O-N 3.17Å; A166-N169 VanDerWaalsContact O-N 3.08Å; A166-E170 PolarHBondContact O-N 3.49Å
167K73.1Confident66.2Low123 Ų12369.7 Ų69.754%0.53539%0.388SS..Hα-helixtrans-60.5-42.6178.9-171.5172.7-176.7175.40112.7L163 H164 N169 E170 D171L163-K167 PolarHBondContact O-N 3.25Å; L163-K167 VanDerWaalsContact O-N 3.12Å; H164-K167 PolarHBondContact O-N 3.29Å; K167-N169 VanDerWaalsContact C-N 3.3Å; K167-N169 PolarHBondContact O-N 3.05Å; K167-E170 PolarHBondContact O-N 3.44Å; K167-D171 PolarHBondContact O-N 2.78Å; K167-D171 VanDerWaalsContact O-N 3.07Å
168V69.4Low63.4Low5 Ų575.1 Ų75.13%0.0342%0.417CS..Hα-helixtrans-67.6-32.5176.7-178.50000111.2H164 A166 S172 R251 I254H164-V168 VanDerWaalsContact O-CG2 3.3Å; H164-V168 WeakPolarHBondContact O-CG2 3.16Å; H164-V168 PolarHBondContact O-N 3Å; A166-V168 PolarHBondContact O-N 3.16Å; V168-S172 WeakPolarHBondContact O-CB 3.36Å; V168-S172 PolarHBondContact O-N 2.9Å; V168-S172 VanDerWaalsContact O-N 3.15Å; V168-S172 PolarHBondContact O-OG 2.93Å; V168-R251 HydrophobicContact CG2-CB 4.42Å; V168-R251 HydrophobicContact CG2-CG 4.29Å; V168-I254 HydrophobicContact CB-CG2 4.09Å; V168-I254 HydrophobicContact CG1-CG2 3.9Å; V168-I254 HydrophobicContact CG2-CB 4.17Å; V168-I254 HydrophobicContact CG2-CD1 3.82Å; V168-I254 HydrophobicContact CG2-CG2 4.11Å
169N67.2Low60.5Low82 Ų8282.6 Ų82.644%0.43946%0.457SS..Hα-helixtrans-67-40.2174-70.5-19000112.1L165 A166 K167 S172 R258L165-N169 PolarHBondContact O-N 2.94Å; L165-N169 PolarHBondContact O-ND2 3.19Å; A166-N169 WeakPolarHBondContact O-CB 3.44Å; A166-N169 PolarHBondContact O-N 3.17Å; A166-N169 VanDerWaalsContact O-N 3.08Å; K167-N169 VanDerWaalsContact C-N 3.3Å; K167-N169 PolarHBondContact O-N 3.05Å; N169-S172 PolarHBondContact O-N 3.17Å; N169-R258 PolarHBondContact OD1-NH2 2.84Å
170E68.8Low57.4Low138 Ų13892.9 Ų92.965%0.64549%0.494SS*.Hα-helixtrans-61.2-46.9174.1-72.8175.6177.300111.6A166 K167 S172 L173A166-E170 PolarHBondContact O-N 3.49Å; K167-E170 PolarHBondContact O-N 3.44Å; E170-S172 PolarHBondContact O-N 2.87Å; E170-L173 PolarHBondContact O-N 3.29Å
171D62.9Low54.8Low90 Ų9098.7 Ų98.748%0.48153%0.529SS..Hα-helixtrans-66.5-18.6177.8-70.2-16.9000113.4K167K167-D171 PolarHBondContact O-N 2.78Å; K167-D171 VanDerWaalsContact O-N 3.07Å
172S52Low52.1Low66 Ų66105 Ų10546%0.46256%0.564SS.*THydrogen-bonded Turntrans-88.8-9.6-179.2-57.40000113.8V168 N169 E170 R258V168-S172 WeakPolarHBondContact O-CB 3.36Å; V168-S172 PolarHBondContact O-N 2.9Å; V168-S172 VanDerWaalsContact O-N 3.15Å; V168-S172 PolarHBondContact O-OG 2.93Å; N169-S172 PolarHBondContact O-N 3.17Å; E170-S172 PolarHBondContact O-N 2.87Å; S172-R258 PolarHBondContact OG-NH1 3.29Å
173L34.2Very low49.3Very low124 Ų124109.7 Ų109.765%0.64959%0.594SS**SBendtrans-69.7136.6173.1-68.3167.8000108.5E170 A175E170-L173 PolarHBondContact O-N 3.29Å; L173-A175 PolarHBondContact O-N 2.87Å
174P30.3Very low46.6Very low118 Ų118115 Ų11577%0.76662%0.617SS**PPolyproline II helixtrans-54.7130.4172.822.1-30.1000108.4N176P174-N176 PolarHBondContact O-N 3.44Å; P174-N176 VanDerWaalsContact O-N 3.09Å
175A33.8Very low44Very low85 Ų85122.2 Ų122.270%0.70265%0.651SS**PPolyproline II helixtrans-49.5123.1177.800000108.5L173 N177L173-A175 PolarHBondContact O-N 2.87Å; A175-N177 PolarHBondContact O-N 3.37Å
176N27.7Very low41.9Very low154 Ų154124.5 Ų124.582%0.82468%0.677SS**  trans-56.7107169.9-117.5-0.9000105.8P174 D178P174-N176 PolarHBondContact O-N 3.44Å; P174-N176 VanDerWaalsContact O-N 3.09Å; N176-D178 PolarHBondContact O-N 2.96Å
177N30.1Very low39.5Very low156 Ų156128.2 Ų128.283%0.83470%0.695SS**  trans-8152.1-171.4-134.215.7000109.5A175A175-N177 PolarHBondContact O-N 3.37Å
178D31.4Very low37.5Very low133 Ų133129.9 Ų129.971%0.71171%0.71SS**  trans-120.570.6170.2-78.7-30.8000106.7N176N176-D178 PolarHBondContact O-N 2.96Å
179N31.1Very low35.9Very low157 Ų157135 Ų13584%0.8475%0.746SS**  trans-168.4101.3143.9-90.5-26.4000109.3T181N179-T181 PolarHBondContact O-N 2.91Å
180R25.8Very low34.3Very low248 Ų248136.2 Ų136.294%0.93677%0.767SS**  trans-62.1116.4164.7-70172.7171.8175.7-3.3109
181T27.6Very low32.4Very low129 Ų129135.3 Ų135.379%0.79177%0.771SS**  trans-157.9113.2145.736.50000109.8N179N179-T181 PolarHBondContact O-N 2.91Å
182D29.1Very low31.1Very low150 Ų150136.3 Ų136.380%0.80279%0.792SS**  trans50.1103.5152.2-61-27.7000121.9
183V25.3Very low30.1Very low128 Ų128142.4 Ų142.478%0.77681%0.81SS**  trans21.3109.1131.7-169.20000117.4
184Q26.1Very low30Very low192 Ų192147.9 Ų147.990%0.89782%0.822SS**  trans-148.7121131.7-121.4157.2-300110.4A186Q184-A186 PolarHBondContact O-N 3.3Å
185E23.4Very low30.2Very low190 Ų190149.5 Ų149.589%0.88882%0.818SS**  trans-62.1124.2176.7-68.6172.7145.200110.5
186A33.4Very low30.3Very low99 Ų99153.8 Ų153.882%0.81882%0.82SS**  trans-142.997.3160.400000109.2Q184Q184-A186 PolarHBondContact O-N 3.3Å
187T25.8Very low30.9Very low125 Ų125152.5 Ų152.577%0.76782%0.821SS**  trans-70.1123.4161.446.10000109.4
188D33Very low31.4Very low158 Ų158149.3 Ų149.385%0.84581%0.81SS**  159.2140.8122.6-83.2-20.8000114
189S34.5Very low32.1Very low112 Ų112149.9 Ų149.978%0.78382%0.819SS**  trans-52.9144.9-170.8-72.40000117T191S189-T191 PolarHBondContact O-N 3.09Å
190A33.3Very low32.9Very low108 Ų108152 Ų15289%0.89382%0.824SS**  trans-56.3109.717400000113.1
191T29.9Very low34.1Very low120 Ų120144.3 Ų144.374%0.73681%0.807SS**  trans-129.4130.3153.513.50000108.2S189 K193S189-T191 PolarHBondContact O-N 3.09Å; T191-K193 PolarHBondContact O-N 3.48Å
192A34.4Very low35.9Very low110 Ų110143.3 Ų143.391%0.90980%0.797SS**  trans-57.799.9-177.200000111.2
193K32.5Very low37.5Very low195 Ų195140.5 Ų140.585%0.84879%0.785SS**  trans-84.5112.6175.3-75.4179.8-179172.80109.3T191 F195T191-K193 PolarHBondContact O-N 3.48Å; K193-F195 PolarHBondContact O-N 2.9Å
194R31.7Very low39.6Very low238 Ų238138 Ų13890%0.89878%0.777SS**  trans-59128.8158.2-168.2174.3-176.5173.31107.7K196R194-K196 PolarHBondContact O-N 2.89Å
195F35.3Very low42Very low153 Ų153131.9 Ų131.967%0.67176%0.756SS**  trans-55.4113.6-179.8-150.4-94.7000109.1K193K193-F195 PolarHBondContact O-N 2.9Å
196K35.4Very low44.9Very low174 Ų174124.8 Ų124.876%0.75772%0.724SS**  trans-91.2127164.7-84.3-174177.3-179.60106.4R194 S198R194-K196 PolarHBondContact O-N 2.89Å; K196-S198 VanDerWaalsContact C-N 3.3Å; K196-S198 PolarHBondContact O-N 3.35Å
197P40.8Very low47.6Very low128 Ų128125.6 Ų125.683%0.83171%0.709SS**  trans-72.791.2173.429-29.7000108
198S39.5Very low50.8Low89 Ų89119.7 Ų119.762%0.62267%0.673SS**  trans-138133.4165.4560000107.3K196K196-S198 VanDerWaalsContact C-N 3.3Å; K196-S198 PolarHBondContact O-N 3.35Å
199T47.1Very low53.5Low144 Ų144116.9 Ų116.988%0.88366%0.658SS**SBendtrans78.3116.9-167120000115.2C201T199-C201 PolarHBondContact O-N 3.04Å
200E47.4Very low55.8Low202 Ų202115.6 Ų115.694%0.94465%0.645SS**  trans-52.7100.7174.2-66.2171.1162.900109.8D202E200-D202 PolarHBondContact O-N 3.2Å
201C49.7Very low58.6Low87 Ų87112.9 Ų112.959%0.58862%0.619SS**  trans-74.3118.2167-167.50000106.6T199 V203T199-C201 PolarHBondContact O-N 3.04Å; C201-V203 PolarHBondContact O-N 2.78Å
202D66.8Low61.4Low108 Ų108109.6 Ų109.658%0.57861%0.609SS**  trans-58.6111.2174.1-179.46.6000108.9E200 A204 S205E200-D202 PolarHBondContact O-N 3.2Å; D202-A204 PolarHBondContact O-N 3.47Å; D202-A204 VanDerWaalsContact O-N 3.11Å; D202-A204 VanDerWaalsContact OD1-CB 3.3Å; D202-A204 WeakPolarHBondContact OD1-CB 3.15Å; D202-A204 PolarHBondContact OD1-N 2.71Å; D202-S205 WeakPolarHBondContact O-CB 3.25Å; D202-S205 PolarHBondContact O-N 2.82Å; D202-S205 PolarHBondContact O-OG 3.26Å
203V62.5Low64Low91 Ų91112.1 Ų112.155%0.55260%0.595SS**G310 helixtrans-56.7-28.5-179-1760000110.7C201 S205 I206C201-V203 PolarHBondContact O-N 2.78Å; V203-S205 PolarHBondContact O-N 2.59Å; V203-I206 PolarHBondContact O-N 2.73Å
204A68.4Low66.4Low75 Ų75104.5 Ų104.562%0.6257%0.572SS**G310 helixtrans-67.2-14.7177.400000114.1D202 I206D202-A204 PolarHBondContact O-N 3.47Å; D202-A204 VanDerWaalsContact O-N 3.11Å; D202-A204 VanDerWaalsContact OD1-CB 3.3Å; D202-A204 WeakPolarHBondContact OD1-CB 3.15Å; D202-A204 PolarHBondContact OD1-N 2.71Å; A204-I206 VanDerWaalsContact C-N 3.35Å
205S77.9Confident69.1Low63 Ų6396.6 Ų96.644%0.44155%0.548SS..G310 helixtrans-86.1-3.2177.471.10000114.2D202 V203 F207D202-S205 WeakPolarHBondContact O-CB 3.25Å; D202-S205 PolarHBondContact O-N 2.82Å; D202-S205 PolarHBondContact O-OG 3.26Å; V203-S205 PolarHBondContact O-N 2.59Å; S205-F207 WeakPolarHBondContact O-CD2 3.39Å; S205-F207 PolarHBondContact O-N 3.32Å
206I84.6Confident71.6Confident42 Ų4292.2 Ų92.222%0.21554%0.536CS..  trans-89.4107.4-174.9-54.7178.3000110.4V203 A204 L220 L222 A229V203-I206 PolarHBondContact O-N 2.73Å; A204-I206 VanDerWaalsContact C-N 3.35Å; I206-L220 HydrophobicContact CG2-CD2 4.08Å; I206-L222 HydrophobicContact CD1-CD1 4.41Å; I206-L222 HydrophobicContact CD1-CD2 4.19Å; I206-L222 HydrophobicContact CG2-CD2 3.69Å; I206-A229 HydrophobicContact CG2-CB 3.32Å
207F90.3Very high74.1Confident116 Ų11690.4 Ų90.451%0.50953%0.53SS..  trans-106.3144.5176.7-62.8-77.3000111.9S205 N209S205-F207 WeakPolarHBondContact O-CD2 3.39Å; S205-F207 PolarHBondContact O-N 3.32Å; F207-N209 PolarHBondContact O-N 2.94Å
208C91.4Very high76.4Confident1 Ų190 Ų901%0.00753%0.527CS..  trans-61.1121.2172.2174.10000110.7V210 C211 G212 R213 L220 A229 H231C208-V210 PolarHBondContact O-N 2.99Å; C208-C211 VanDerWaalsContact CB-SG 3.52Å; C208-C211 PolarHBondContact O-N 3.41Å; C208-C211 VanDerWaalsContact SG-SG 3.61Å; C208-G212 VanDerWaalsContact O-CA 3.28Å; C208-G212 WeakPolarHBondContact O-CA 3.1Å; C208-G212 PolarHBondContact O-N 3.35Å; C208-R213 WeakPolarHBondContact CB-O 3.21Å; C208-R213 PolarHBondContact N-O 2.97Å; C208-L220 HydrophobicContact CB-CD1 3.88Å; C208-A229 CarbonylContact C-O 3.48Å; C208-A229 VanDerWaalsContact CA-O 3.25Å; C208-A229 WeakPolarHBondContact CA-O 3.21Å; C208-H231 VanDerWaalsContact CB-CE1 3.42Å; C208-H231 WeakPolarHBondContact CB-CE1 3.33Å; C208-H231 VanDerWaalsContact CB-ND1 3.27Å; C208-H231 WeakPolarHBondContact CB-ND1 3.39Å; C208-H231 PolarHBondContact SG-N 2.93Å; C208-H231 PolarHBondContact SG-ND1 2.85Å
209N89.4Confident78.8Confident99 Ų9986.8 Ų86.853%0.52951%0.505SS..THydrogen-bonded Turntrans-62.7-12180-69.583.2000114.3F207 A228 A229 I230F207-N209 PolarHBondContact O-N 2.94Å; N209-A228 WeakPolarHBondContact OD1-CA 3.25Å; N209-A229 PolarHBondContact N-O 3.34Å; N209-A229 PolarHBondContact OD1-N 3.11Å; N209-A229 PolarHBondContact OD1-O 3.48Å; N209-I230 HydrophobicContact CB-CG1 4.46Å
210V84.7Confident81Confident85 Ų8581.3 Ų81.352%0.51547%0.47SS..THydrogen-bonded Turntrans-97.8-46.7-178.8179.20000111.8C208 I230 C234C208-V210 PolarHBondContact O-N 2.99Å; V210-I230 HydrophobicContact CG2-CD1 4.46Å; V210-I230 HydrophobicContact CG2-CG1 4.45Å; V210-I230 HydrophobicContact CG2-CG2 3.73Å; V210-C234 HydrophobicContact CB-CB 3.83Å; V210-C234 HydrophobicContact CG1-CB 3.94Å; V210-C234 HydrophobicContact CG2-CB 4.32Å
211C90.7Very high83Confident51 Ų5172.1 Ų72.135%0.34543%0.427SS..THydrogen-bonded Turntrans-104.7-10.7-176.670.30000114.2C208 R213 H231C208-C211 VanDerWaalsContact CB-SG 3.52Å; C208-C211 PolarHBondContact O-N 3.41Å; C208-C211 VanDerWaalsContact SG-SG 3.61Å; C211-R213 VanDerWaalsContact C-N 3.26Å; C211-R213 PolarHBondContact O-N 3.1Å; C211-R213 PolarHBondContact SG-N 2.71Å; C211-H231 PolarHBondContact SG-ND1 3.43Å
212G88.5Confident84.9Confident51 Ų5172.5 Ų72.553%0.52642%0.423SS..SBendtrans7410.6-177.600000114.7C208C208-G212 VanDerWaalsContact O-CA 3.28Å; C208-G212 WeakPolarHBondContact O-CA 3.1Å; C208-G212 PolarHBondContact O-N 3.35Å
213R89.1Confident86Confident162 Ų16267.9 Ų67.961%0.61140%0.399SS*.  trans-111.5148.8-175.5-54.3176.9-175.6-174.8-1.2111.5C208 C211 D215 H231C208-R213 WeakPolarHBondContact CB-O 3.21Å; C208-R213 PolarHBondContact N-O 2.97Å; C211-R213 VanDerWaalsContact C-N 3.26Å; C211-R213 PolarHBondContact O-N 3.1Å; C211-R213 PolarHBondContact SG-N 2.71Å; R213-D215 WeakPolarHBondContact CB-OD1 3.49Å; R213-H231 PolarHBondContact O-CE1 3.35Å
214G83.6Confident87.1Confident36 Ų3667.9 Ų67.937%0.37140%0.396SS..  trans-105.716.1175.900000112.9
215D88.2Confident87.7Confident72 Ų7268 Ų6839%0.38539%0.392SS..  trans-71.5174.5177.363.5-38.7000111.7R213 E217 H231R213-D215 WeakPolarHBondContact CB-OD1 3.49Å; D215-E217 VanDerWaalsContact C-N 3.28Å; D215-E217 PolarHBondContact O-N 3.21Å; D215-E217 VanDerWaalsContact O-N 3.16Å; D215-H231 PolarHBondContact O-NE2 3.13Å; D215-H231 IonicContact OD1-CE1 3.41Å; D215-H231 PolarHBondContact OD1-CE1 3.15Å; D215-H231 IonicContact OD1-NE2 3.58Å
216S88.7Confident88.2Confident61 Ų6167.1 Ų67.143%0.42739%0.385SS..  trans52.541.9173.4-54.70000114.5P218 S219 L220S216-P218 VanDerWaalsContact C-N 3.3Å; S216-P218 VanDerWaalsContact O-N 3.11Å; S216-S219 WeakPolarHBondContact CB-OG 3.35Å; S216-S219 WeakPolarHBondContact O-CA 3.28Å; S216-S219 PolarHBondContact O-N 3.13Å; S216-S219 PolarHBondContact O-OG 3.48Å; S216-L220 PolarHBondContact O-N 3.04Å
217E86Confident88.3Confident136 Ų13671.8 Ų71.864%0.63641%0.411SS*.G310 helixtrans-43.7-42.6-177.6-171.6-170.7161.200114.4D215 S219 L220D215-E217 VanDerWaalsContact C-N 3.28Å; D215-E217 PolarHBondContact O-N 3.21Å; D215-E217 VanDerWaalsContact O-N 3.16Å; E217-S219 PolarHBondContact O-N 2.79Å; E217-L220 PolarHBondContact O-N 3.02Å
218P89.7Confident88.3Confident118 Ų11866.9 Ų66.977%0.76639%0.392SS*.G310 helixtrans-62.5-11.6178.6-22.834.9000114.9S216 V242S216-P218 VanDerWaalsContact C-N 3.3Å; S216-P218 VanDerWaalsContact O-N 3.11Å; P218-V242 VanDerWaalsContact O-CG2 3.26Å; P218-V242 WeakPolarHBondContact O-CG2 3.5Å
219S91.4Very high88.3Confident22 Ų2266.9 Ų66.915%0.15439%0.392CS..G310 helixtrans-115.11.3179.1720000113.5S216 E217 L221 H231 T232S216-S219 WeakPolarHBondContact CB-OG 3.35Å; S216-S219 WeakPolarHBondContact O-CA 3.28Å; S216-S219 PolarHBondContact O-N 3.13Å; S216-S219 PolarHBondContact O-OG 3.48Å; E217-S219 PolarHBondContact O-N 2.79Å; S219-L221 PolarHBondContact O-N 3.03Å; S219-H231 CarbonylContact O-C 3.58Å; S219-H231 VanDerWaalsContact O-CA 3.31Å; S219-H231 WeakPolarHBondContact O-CA 3.48Å; S219-T232 PolarHBondContact O-N 3.05Å
220L91.8Very high88.3Confident29 Ų2962.8 Ų62.815%0.15237%0.37CS..EExtended strand (participates in β ladder)trans-83.8111.1178.3-173.164.2000109.5I206 C208 S216 E217 A229I206-L220 HydrophobicContact CG2-CD2 4.08Å; C208-L220 HydrophobicContact CB-CD1 3.88Å; S216-L220 PolarHBondContact O-N 3.04Å; E217-L220 PolarHBondContact O-N 3.02Å; L220-A229 HydrophobicContact CD1-CB 3.98Å; L220-A229 HydrophobicContact CD2-CB 4.41Å; L220-A229 HydrophobicContact CG-CB 4.16Å
221L89.6Confident88.6Confident9 Ų958.8 Ų58.85%0.04735%0.346CS..EExtended strand (participates in β ladder)trans-88.2130.6-178.9-53.3179.2000110.2S219 A229 I230 T232 L235 L239 V242 P243 W247S219-L221 PolarHBondContact O-N 3.03Å; L221-A229 CarbonylContact O-C 3.51Å; L221-A229 WeakPolarHBondContact O-CA 3.5Å; L221-I230 WeakPolarHBondContact CB-O 3.3Å; L221-I230 PolarHBondContact N-O 3.02Å; L221-I230 PolarHBondContact O-N 3.24Å; L221-T232 HydrophobicContact CD1-CG2 4Å; L221-T232 HydrophobicContact CD2-CG2 3.96Å; L221-T232 HydrophobicContact CG-CG2 3.99Å; L221-L235 HydrophobicContact CD1-CD1 3.85Å; L221-L239 HydrophobicContact CD1-CD1 3.88Å; L221-V242 HydrophobicContact CD2-CB 4.29Å; L221-V242 HydrophobicContact CD2-CG1 3.72Å; L221-V242 HydrophobicContact CD2-CG2 4.17Å; L221-P243 HydrophobicContact CD1-CG 4.3Å; L221-W247 HydrophobicContact CB-CD2 3.75Å; L221-W247 HydrophobicContact CB-CE3 3.68Å; L221-W247 HydrophobicContact CB-CG 4.4Å; L221-W247 HydrophobicContact CB-CH2 4Å; L221-W247 HydrophobicContact CB-CZ2 4.09Å; L221-W247 HydrophobicContact CB-CZ3 3.8Å; L221-W247 HydrophobicContact CD1-CD2 4Å; L221-W247 HydrophobicContact CD1-CG 4.22Å; L221-W247 HydrophobicContact CD1-CZ2 4Å; L221-W247 HydrophobicContact CG-CD2 4.49Å; L221-W247 WeakPolarHBondContact O-CZ3 3.41Å
222L90.2Very high88.5Confident95 Ų9557 Ų5750%0.49733%0.333SS..EExtended strand (participates in β ladder)trans-99.6131.1174.4-54.5-178.1000109.9I206 A229 W247I206-L222 HydrophobicContact CD1-CD1 4.41Å; I206-L222 HydrophobicContact CD1-CD2 4.19Å; I206-L222 HydrophobicContact CG2-CD2 3.69Å; L222-A229 HydrophobicContact CD2-CB 3.74Å; L222-W247 VanDerWaalsContact C-CE3 3.47Å
223C89.1Confident88.5Confident12 Ų1259 Ų598%0.08133%0.329CS..PPolyproline II helixtrans-73.8128.8179.3-178.50000111S225 C226 A228 W247 C249C223-S225 PolarHBondContact O-N 2.9Å; C223-S225 PolarHBondContact SG-N 3.24Å; C223-S225 VanDerWaalsContact SG-N 3.44Å; C223-C226 WeakPolarHBondContact CB-O 3.45Å; C223-C226 PolarHBondContact SG-N 2.84Å; C223-A228 HydrophobicContact CB-CB 4.17Å; C223-A228 WeakPolarHBondContact CB-O 3.28Å; C223-A228 PolarHBondContact N-O 3.25Å; C223-W247 WeakPolarHBondContact CA-O 3.49Å; C223-W247 HydrophobicContact CB-CE3 4.2Å; C223-W247 HydrophobicContact CB-CZ3 3.85Å; C223-C249 HydrophobicContact CB-CB 3.95Å; C223-C249 PolarHBondContact SG-N 3.12Å
224D86.1Confident88.4Confident91 Ų9152.6 Ų52.649%0.48731%0.308SS..THydrogen-bonded Turntrans-74.4-7178.1-66.1-54.9000113.9D246 W247D224-D246 WeakPolarHBondContact OD2-CA 3.27Å; D224-D246 WeakPolarHBondContact OD2-CB 3.39Å; D224-W247 PolarHBondContact N-O 3.28Å; D224-W247 PolarHBondContact OD2-N 3.47Å
225S81.4Confident88.2Confident76 Ų7651.2 Ų51.253%0.53129%0.292SS..THydrogen-bonded Turntrans-115-11.9-177.7-66.50000114.3C223 H248C223-S225 PolarHBondContact O-N 2.9Å; C223-S225 PolarHBondContact SG-N 3.24Å; C223-S225 VanDerWaalsContact SG-N 3.44Å; S225-H248 PolarHBondContact OG-CE1 2.93Å; S225-H248 PolarHBondContact OG-ND1 3.2Å
226C88.4Confident87.3Confident45 Ų4551.3 Ų51.330%0.30429%0.293SS..SBendtrans-158.9177.3178.376.60000111.5C223 A228 C249 C252C223-C226 WeakPolarHBondContact CB-O 3.45Å; C223-C226 PolarHBondContact SG-N 2.84Å; C226-A228 PolarHBondContact O-N 2.88Å; C226-A228 WeakPolarHBondContact SG-CB 3.39Å; C226-A228 PolarHBondContact SG-N 3.12Å; C226-C249 PolarHBondContact SG-SG 3.35Å; C226-C252 VanDerWaalsContact CB-SG 3.54Å; C226-C252 PolarHBondContact SG-SG 3.49Å
227N87.3Confident86.4Confident141 Ų14150.1 Ų50.175%0.75428%0.283SS*.SBendtrans-81.120.3-177.5-61.7-6.4000114.2
228A88.8Confident86Confident13 Ų1347.5 Ų47.511%0.10728%0.278CS..  trans-79.9133.8179.900000111.1N209 C223 C226 C249N209-A228 WeakPolarHBondContact OD1-CA 3.25Å; C223-A228 HydrophobicContact CB-CB 4.17Å; C223-A228 WeakPolarHBondContact CB-O 3.28Å; C223-A228 PolarHBondContact N-O 3.25Å; C226-A228 PolarHBondContact O-N 2.88Å; C226-A228 WeakPolarHBondContact SG-CB 3.39Å; C226-A228 PolarHBondContact SG-N 3.12Å; A228-C249 HydrophobicContact CB-CB 3.73Å
229A91Very high85.5Confident1 Ų142.8 Ų42.81%0.00825%0.246CC..EExtended strand (participates in β ladder)trans-119.4132.9170.300000110I206 C208 N209 L220 L221 L222I206-A229 HydrophobicContact CG2-CB 3.32Å; C208-A229 CarbonylContact C-O 3.48Å; C208-A229 VanDerWaalsContact CA-O 3.25Å; C208-A229 WeakPolarHBondContact CA-O 3.21Å; N209-A229 PolarHBondContact N-O 3.34Å; N209-A229 PolarHBondContact OD1-N 3.11Å; N209-A229 PolarHBondContact OD1-O 3.48Å; L220-A229 HydrophobicContact CD1-CB 3.98Å; L220-A229 HydrophobicContact CD2-CB 4.41Å; L220-A229 HydrophobicContact CG-CB 4.16Å; L221-A229 CarbonylContact O-C 3.51Å; L221-A229 WeakPolarHBondContact O-CA 3.5Å; L222-A229 HydrophobicContact CD2-CB 3.74Å
230I90.9Very high85.1Confident13 Ų1352 Ų527%0.06728%0.283CS..EExtended strand (participates in β ladder)trans-143.3131.1-179.1-51.6177.7000110N209 V210 L221 C234 L235 W247 C249N209-I230 HydrophobicContact CB-CG1 4.46Å; V210-I230 HydrophobicContact CG2-CD1 4.46Å; V210-I230 HydrophobicContact CG2-CG1 4.45Å; V210-I230 HydrophobicContact CG2-CG2 3.73Å; L221-I230 WeakPolarHBondContact CB-O 3.3Å; L221-I230 PolarHBondContact N-O 3.02Å; L221-I230 PolarHBondContact O-N 3.24Å; I230-C234 HydrophobicContact CG2-CB 4.05Å; I230-L235 HydrophobicContact CB-CD2 4.23Å; I230-L235 HydrophobicContact CD1-CD2 4.17Å; I230-L235 HydrophobicContact CG2-CD2 3.68Å; I230-L235 HydrophobicContact CG2-CG 3.91Å; I230-W247 HydrophobicContact CB-CH2 3.97Å; I230-W247 HydrophobicContact CB-CZ2 4.47Å; I230-W247 HydrophobicContact CD1-CH2 4.01Å; I230-W247 HydrophobicContact CG1-CH2 4.02Å; I230-C249 HydrophobicContact CD1-CB 4.15Å
231H91.1Very high84.8Confident0 Ų058.2 Ų58.20%031%0.31CS..EExtended strand (participates in β ladder)trans-64.5144.9172.5-61113.3000112.1C208 C211 R213 D215 S219 H233 C234 L235C208-H231 VanDerWaalsContact CB-CE1 3.42Å; C208-H231 WeakPolarHBondContact CB-CE1 3.33Å; C208-H231 VanDerWaalsContact CB-ND1 3.27Å; C208-H231 WeakPolarHBondContact CB-ND1 3.39Å; C208-H231 PolarHBondContact SG-N 2.93Å; C208-H231 PolarHBondContact SG-ND1 2.85Å; C211-H231 PolarHBondContact SG-ND1 3.43Å; R213-H231 PolarHBondContact O-CE1 3.35Å; D215-H231 PolarHBondContact O-NE2 3.13Å; D215-H231 IonicContact OD1-CE1 3.41Å; D215-H231 PolarHBondContact OD1-CE1 3.15Å; D215-H231 IonicContact OD1-NE2 3.58Å; S219-H231 CarbonylContact O-C 3.58Å; S219-H231 VanDerWaalsContact O-CA 3.31Å; S219-H231 WeakPolarHBondContact O-CA 3.48Å; H231-H233 WeakPolarHBondContact CB-CE1 3.3Å; H231-H233 AromaticContact CD2-CE1 3.84Å; H231-H233 AromaticContact CG-CE1 3.48Å; H231-H233 VanDerWaalsContact CG-CE1 3.48Å; H231-H233 AromaticContact CG-NE2 3.83Å; H231-H233 AromaticContact ND1-NE2 3.95Å; H231-H233 PolarHBondContact O-N 3.28Å; H231-H233 VanDerWaalsContact O-N 3.12Å; H231-C234 HydrophobicContact CB-CB 3.95Å; H231-C234 PolarHBondContact O-N 2.86Å; H231-L235 PolarHBondContact O-N 2.91Å
232T88.2Confident84.6Confident13 Ų1361.2 Ų61.28%0.0833%0.328CS..THydrogen-bonded Turntrans-51.2-38.3172.456.60000112.4S219 L221 P238 L239 V242S219-T232 PolarHBondContact O-N 3.05Å; L221-T232 HydrophobicContact CD1-CG2 4Å; L221-T232 HydrophobicContact CD2-CG2 3.96Å; L221-T232 HydrophobicContact CG-CG2 3.99Å; T232-P238 CarbonylContact O-C 3.56Å; T232-P238 WeakPolarHBondContact O-CA 3.33Å; T232-L239 WeakPolarHBondContact CB-O 3.17Å; T232-L239 HydrophobicContact CG2-CB 4.05Å; T232-L239 PolarHBondContact O-N 3.15Å; T232-V242 HydrophobicContact CG2-CG2 4.12Å
233H88Confident84.1Confident95 Ų9558.5 Ų58.544%0.4432%0.316SS..THydrogen-bonded Turntrans-83-16.6-179.961.4-92.1000114.5H231H231-H233 WeakPolarHBondContact CB-CE1 3.3Å; H231-H233 AromaticContact CD2-CE1 3.84Å; H231-H233 AromaticContact CG-CE1 3.48Å; H231-H233 VanDerWaalsContact CG-CE1 3.48Å; H231-H233 AromaticContact CG-NE2 3.83Å; H231-H233 AromaticContact ND1-NE2 3.95Å; H231-H233 PolarHBondContact O-N 3.28Å; H231-H233 VanDerWaalsContact O-N 3.12Å
234C86.4Confident83.6Confident27 Ų2764.6 Ų64.618%0.18235%0.353CS..THydrogen-bonded Turntrans-86-11.4172.9-710000112.9V210 I230 H231V210-C234 HydrophobicContact CB-CB 3.83Å; V210-C234 HydrophobicContact CG1-CB 3.94Å; V210-C234 HydrophobicContact CG2-CB 4.32Å; I230-C234 HydrophobicContact CG2-CB 4.05Å; H231-C234 HydrophobicContact CB-CB 3.95Å; H231-C234 PolarHBondContact O-N 2.86Å
235L79.7Confident83.3Confident6 Ų663.4 Ų63.43%0.03136%0.363CS..SBendtrans-68.3152171.3-69.6170.2000111.2L221 I230 H231 P237 P238 L239 W247 P250L221-L235 HydrophobicContact CD1-CD1 3.85Å; I230-L235 HydrophobicContact CB-CD2 4.23Å; I230-L235 HydrophobicContact CD1-CD2 4.17Å; I230-L235 HydrophobicContact CG2-CD2 3.68Å; I230-L235 HydrophobicContact CG2-CG 3.91Å; H231-L235 PolarHBondContact O-N 2.91Å; L235-P237 CarbonylContact C-O 3.55Å; L235-P237 CarbonylContact O-C 3.48Å; L235-P238 VanDerWaalsContact O-CA 3.29Å; L235-P238 WeakPolarHBondContact O-CA 3.28Å; L235-P238 VanDerWaalsContact O-CD 3.29Å; L235-P238 WeakPolarHBondContact O-CD 3.32Å; L235-P238 WeakPolarHBondContact O-CG 3.42Å; L235-L239 HydrophobicContact CD1-CB 4.33Å; L235-L239 HydrophobicContact CD1-CD1 3.47Å; L235-L239 VanDerWaalsContact CD1-CD1 3.47Å; L235-L239 HydrophobicContact CD1-CG 3.83Å; L235-W247 HydrophobicContact CD1-CZ2 4.33Å; L235-W247 HydrophobicContact CD2-CZ2 4.06Å; L235-P250 HydrophobicContact CD2-CG 4.17Å
236L69.8Low83.2Confident75 Ų7565.8 Ų65.839%0.39337%0.369SS..SBendtrans-116.7113.8171.8-172.368.9000108.5A160 L163A160-L236 HydrophobicContact CB-CD2 4.48Å; A160-L236 HydrophobicContact CB-CG 4.09Å; A160-L236 WeakPolarHBondContact CB-O 3.24Å; L163-L236 HydrophobicContact CD1-CD2 3.46Å; L163-L236 VanDerWaalsContact CD1-CD2 3.46Å
237P69Low83Confident36 Ų3664.2 Ų64.223%0.23436%0.357CS..SBendcis-71.5155.3-9.330.4-31.3000112.6L97 L235 L239L97-P237 HydrophobicContact CD1-CG 3.45Å; L97-P237 VanDerWaalsContact CD1-CG 3.45Å; L97-P237 HydrophobicContact CG-CG 4.49Å; L235-P237 CarbonylContact C-O 3.55Å; L235-P237 CarbonylContact O-C 3.48Å; P237-L239 PolarHBondContact O-N 3.04Å
238P78.8Confident82.8Confident81 Ų8158.9 Ų58.953%0.52633%0.327SS..PPolyproline II helixtrans-57.4133.9177.5-30.637.6000113.2T232 L235T232-P238 CarbonylContact O-C 3.56Å; T232-P238 WeakPolarHBondContact O-CA 3.33Å; L235-P238 VanDerWaalsContact O-CA 3.29Å; L235-P238 WeakPolarHBondContact O-CA 3.28Å; L235-P238 VanDerWaalsContact O-CD 3.29Å; L235-P238 WeakPolarHBondContact O-CD 3.32Å; L235-P238 WeakPolarHBondContact O-CG 3.42Å
239L79.4Confident82.6Confident19 Ų1958.5 Ų58.510%0.09932%0.324CS..PPolyproline II helixtrans-79.5128170.5-82.8-178.4000110.7Q95 L221 T232 L235 P237 K241 P243Q95-L239 VanDerWaalsContact C-CD2 3.46Å; Q95-L239 WeakPolarHBondContact O-CD2 2.97Å; L221-L239 HydrophobicContact CD1-CD1 3.88Å; T232-L239 WeakPolarHBondContact CB-O 3.17Å; T232-L239 HydrophobicContact CG2-CB 4.05Å; T232-L239 PolarHBondContact O-N 3.15Å; L235-L239 HydrophobicContact CD1-CB 4.33Å; L235-L239 HydrophobicContact CD1-CD1 3.47Å; L235-L239 VanDerWaalsContact CD1-CD1 3.47Å; L235-L239 HydrophobicContact CD1-CG 3.83Å; P237-L239 PolarHBondContact O-N 3.04Å; L239-K241 VanDerWaalsContact C-N 3.31Å; L239-K241 PolarHBondContact O-N 2.75Å; L239-P243 HydrophobicContact CD1-CG 3.54Å
240K82.2Confident81.9Confident214 Ų21458.7 Ų58.793%0.9333%0.325SS*.SBendtrans-74.3-21.6176.5-64.6-174.2178.2-174.90113.6
241K84.4Confident81.3Confident161 Ų16164.1 Ų64.170%0.735%0.345SS*.SBendtrans-148.3155.3-178.164.3175-174.3170.20110.1L239L239-K241 VanDerWaalsContact C-N 3.31Å; L239-K241 PolarHBondContact O-N 2.75Å
242V85.3Confident80.8Confident72 Ų7264.8 Ų64.844%0.43635%0.349SS..  trans-61.1129.8171.2177.20000109.4P218 L221 T232P218-V242 VanDerWaalsContact O-CG2 3.26Å; P218-V242 WeakPolarHBondContact O-CG2 3.5Å; L221-V242 HydrophobicContact CD2-CB 4.29Å; L221-V242 HydrophobicContact CD2-CG1 3.72Å; L221-V242 HydrophobicContact CD2-CG2 4.17Å; T232-V242 HydrophobicContact CG2-CG2 4.12Å
243P79.9Confident80Confident37 Ų3764.2 Ų64.224%0.2435%0.345CS..  trans-61.2156.9174-23.936000112.7L221 L239L221-P243 HydrophobicContact CD1-CG 4.3Å; L239-P243 HydrophobicContact CD1-CG 3.54Å
244T79.7Confident79.3Confident140 Ų14060 Ų6086%0.85933%0.326SS*.SBendtrans-104.6133.9173.753.80000110.2
245G78.7Confident78.7Confident67 Ų6762 Ų6269%0.69133%0.333SS*.SBendtrans88.6-168.5-174.200000112W247G245-W247 PolarHBondContact O-N 3.28Å
246D80.2Confident78.2Confident125 Ų12565.2 Ų65.267%0.66835%0.348SS*.  trans-60.7133.4-176.7-55.6-9.8000111.3D224D224-D246 WeakPolarHBondContact OD2-CA 3.27Å; D224-D246 WeakPolarHBondContact OD2-CB 3.39Å
247W84.5Confident78Confident12 Ų1262.7 Ų62.75%0.04534%0.336CS..  trans-116.5133.2174.2-178.882000110.7L221 L222 C223 D224 I230 L235 G245 C249L221-W247 HydrophobicContact CB-CD2 3.75Å; L221-W247 HydrophobicContact CB-CE3 3.68Å; L221-W247 HydrophobicContact CB-CG 4.4Å; L221-W247 HydrophobicContact CB-CH2 4Å; L221-W247 HydrophobicContact CB-CZ2 4.09Å; L221-W247 HydrophobicContact CB-CZ3 3.8Å; L221-W247 HydrophobicContact CD1-CD2 4Å; L221-W247 HydrophobicContact CD1-CG 4.22Å; L221-W247 HydrophobicContact CD1-CZ2 4Å; L221-W247 HydrophobicContact CG-CD2 4.49Å; L221-W247 WeakPolarHBondContact O-CZ3 3.41Å; L222-W247 VanDerWaalsContact C-CE3 3.47Å; C223-W247 WeakPolarHBondContact CA-O 3.49Å; C223-W247 HydrophobicContact CB-CE3 4.2Å; C223-W247 HydrophobicContact CB-CZ3 3.85Å; D224-W247 PolarHBondContact N-O 3.28Å; D224-W247 PolarHBondContact OD2-N 3.47Å; I230-W247 HydrophobicContact CB-CH2 3.97Å; I230-W247 HydrophobicContact CB-CZ2 4.47Å; I230-W247 HydrophobicContact CD1-CH2 4.01Å; I230-W247 HydrophobicContact CG1-CH2 4.02Å; L235-W247 HydrophobicContact CD1-CZ2 4.33Å; L235-W247 HydrophobicContact CD2-CZ2 4.06Å; G245-W247 PolarHBondContact O-N 3.28Å; W247-C249 HydrophobicContact CH2-CB 3.69Å; W247-C249 HydrophobicContact CZ2-CB 4.41Å; W247-C249 HydrophobicContact CZ3-CB 3.99Å
248H82.7Confident77.8Confident30 Ų3065.3 Ų65.314%0.13934%0.341CS..  trans-118.3136175.4-59.9-54.1000110S225 C252 V253S225-H248 PolarHBondContact OG-CE1 2.93Å; S225-H248 PolarHBondContact OG-ND1 3.2Å; H248-C252 HydrophobicContact CB-CB 4.32Å; H248-V253 HydrophobicContact CB-CG2 3.79Å
249C84.2Confident76.8Confident5 Ų568.2 Ų68.23%0.03435%0.348CS..  trans-64.3152.8175.676.30000110.9C223 C226 A228 I230 W247 R251 C252 V253C223-C249 HydrophobicContact CB-CB 3.95Å; C223-C249 PolarHBondContact SG-N 3.12Å; C226-C249 PolarHBondContact SG-SG 3.35Å; A228-C249 HydrophobicContact CB-CB 3.73Å; I230-C249 HydrophobicContact CD1-CB 4.15Å; W247-C249 HydrophobicContact CH2-CB 3.69Å; W247-C249 HydrophobicContact CZ2-CB 4.41Å; W247-C249 HydrophobicContact CZ3-CB 3.99Å; C249-R251 PolarHBondContact O-N 2.95Å; C249-C252 PolarHBondContact O-N 3.5Å; C249-V253 WeakPolarHBondContact O-CG2 3.41Å; C249-V253 PolarHBondContact O-N 2.95Å
250P76.4Confident75.3Confident4 Ų472.7 Ų72.73%0.02638%0.381CS..Hα-helixtrans-51.3-34.3-177.2-29.935.6000115F91 H164 L235 V253 I254F91-P250 HydrophobicContact CE2-CB 4.35Å; H164-P250 HydrophobicContact CB-CB 4.39Å; H164-P250 WeakPolarHBondContact CD2-CB 3.38Å; H164-P250 WeakPolarHBondContact NE2-CG 3.33Å; L235-P250 HydrophobicContact CD2-CG 4.17Å; P250-V253 PolarHBondContact O-N 3.25Å; P250-I254 WeakPolarHBondContact O-CG1 3.46Å; P250-I254 PolarHBondContact O-N 3.35Å
251R78.7Confident73.8Confident128 Ų12866.7 Ų66.748%0.48336%0.357SS..Hα-helixtrans-64.1-53.9175.6177.5175.1169.1174.1-2.9111.6V168 C249 V253 I254 E255V168-R251 HydrophobicContact CG2-CB 4.42Å; V168-R251 HydrophobicContact CG2-CG 4.29Å; C249-R251 PolarHBondContact O-N 2.95Å; R251-V253 PolarHBondContact O-N 3.04Å; R251-I254 PolarHBondContact O-N 3.15Å; R251-I254 VanDerWaalsContact O-N 3.11Å; R251-E255 HydrophobicContact CG-CG 4.4Å; R251-E255 WeakPolarHBondContact CG-OE1 3.49Å; R251-E255 IonicContact CZ-OE1 3.76Å; R251-E255 IonicContact NE-OE1 2.81Å; R251-E255 PolarHBondContact NE-OE1 3.24Å; R251-E255 IonicContact NH2-OE1 3.53Å; R251-E255 PolarHBondContact NH2-OE1 2.9Å; R251-E255 WeakPolarHBondContact O-CB 3.42Å; R251-E255 WeakPolarHBondContact O-CG 3.37Å; R251-E255 PolarHBondContact O-N 3.4Å
252C79.8Confident72.2Confident13 Ų1363 Ų639%0.08835%0.352CS..Hα-helixtrans-58.7-36.8176.2-750000111.9C226 H248 C249 E255 E256C226-C252 VanDerWaalsContact CB-SG 3.54Å; C226-C252 PolarHBondContact SG-SG 3.49Å; H248-C252 HydrophobicContact CB-CB 4.32Å; C249-C252 PolarHBondContact O-N 3.5Å; C252-E255 PolarHBondContact O-N 3.26Å; C252-E256 WeakPolarHBondContact O-CB 3.45Å; C252-E256 PolarHBondContact O-N 2.89Å
253V72.7Confident70.5Confident1 Ų164.2 Ų64.21%0.00636%0.361CS..Hα-helixtrans-61.9-47.5174.9178.80000111.4L94 H248 C249 P250 R251 E256 C257L94-V253 HydrophobicContact CB-CG2 4.2Å; L94-V253 HydrophobicContact CD1-CB 4.08Å; L94-V253 HydrophobicContact CD1-CG1 3.64Å; L94-V253 HydrophobicContact CD1-CG2 3.27Å; L94-V253 HydrophobicContact CG-CG2 4.32Å; H248-V253 HydrophobicContact CB-CG2 3.79Å; C249-V253 WeakPolarHBondContact O-CG2 3.41Å; C249-V253 PolarHBondContact O-N 2.95Å; P250-V253 PolarHBondContact O-N 3.25Å; R251-V253 PolarHBondContact O-N 3.04Å; V253-E256 PolarHBondContact O-N 2.89Å; V253-C257 WeakPolarHBondContact O-CB 3.44Å; V253-C257 PolarHBondContact O-N 2.92Å; V253-C257 PolarHBondContact O-SG 3.32Å
254I72Confident69.4Low6 Ų664.6 Ų64.63%0.03136%0.359CS..Hα-helixtrans-66.3-43.2179-70.4168.2000110.6H164 L165 V168 P250 R251 C257 R258H164-I254 VanDerWaalsContact C-CD1 3.41Å; H164-I254 HydrophobicContact CB-CD1 3.52Å; H164-I254 WeakPolarHBondContact O-CD1 3.29Å; L165-I254 HydrophobicContact CD1-CG2 4.19Å; V168-I254 HydrophobicContact CB-CG2 4.09Å; V168-I254 HydrophobicContact CG1-CG2 3.9Å; V168-I254 HydrophobicContact CG2-CB 4.17Å; V168-I254 HydrophobicContact CG2-CD1 3.82Å; V168-I254 HydrophobicContact CG2-CG2 4.11Å; P250-I254 WeakPolarHBondContact O-CG1 3.46Å; P250-I254 PolarHBondContact O-N 3.35Å; R251-I254 PolarHBondContact O-N 3.15Å; R251-I254 VanDerWaalsContact O-N 3.11Å; I254-C257 CarbonylContact O-C 3.13Å; I254-C257 WeakPolarHBondContact O-CA 3.26Å; I254-C257 WeakPolarHBondContact O-CB 3.5Å; I254-C257 PolarHBondContact O-N 3.13Å; I254-C257 VanDerWaalsContact O-N 3.15Å; I254-R258 HydrophobicContact CG2-CG 4.48Å; I254-R258 WeakPolarHBondContact O-CG 3.13Å; I254-R258 PolarHBondContact O-N 2.87Å
255E74.7Confident68.6Low70 Ų7060.3 Ų60.333%0.32734%0.343SS..Hα-helixtrans-61.1-44.2176.4-74.4175.8-17800111.6R251 C252 C257 R258 Q259R251-E255 HydrophobicContact CG-CG 4.4Å; R251-E255 WeakPolarHBondContact CG-OE1 3.49Å; R251-E255 IonicContact CZ-OE1 3.76Å; R251-E255 IonicContact NE-OE1 2.81Å; R251-E255 PolarHBondContact NE-OE1 3.24Å; R251-E255 IonicContact NH2-OE1 3.53Å; R251-E255 PolarHBondContact NH2-OE1 2.9Å; R251-E255 WeakPolarHBondContact O-CB 3.42Å; R251-E255 WeakPolarHBondContact O-CG 3.37Å; R251-E255 PolarHBondContact O-N 3.4Å; C252-E255 PolarHBondContact O-N 3.26Å; E255-C257 VanDerWaalsContact C-N 3.31Å; E255-C257 PolarHBondContact O-N 2.88Å; E255-R258 CarbonylContact O-C 3.53Å; E255-R258 WeakPolarHBondContact O-CA 3.37Å; E255-R258 WeakPolarHBondContact O-CB 3.42Å; E255-R258 PolarHBondContact O-N 3.19Å; E255-Q259 PolarHBondContact O-N 3.45Å
256E69.4Low68Low74 Ų7459.3 Ų59.335%0.34632%0.319SS..Hα-helixtrans-65.4-34173.8-160.9-163.615800111.8K90 C252 V253 R258 Q259K90-E256 VanDerWaalsContact CE-OE2 3.3Å; K90-E256 WeakPolarHBondContact CE-OE2 3.19Å; K90-E256 IonicContact NZ-OE1 3.36Å; K90-E256 PolarHBondContact NZ-OE1 3.08Å; K90-E256 IonicContact NZ-OE2 3.46Å; K90-E256 PolarHBondContact NZ-OE2 2.83Å; C252-E256 WeakPolarHBondContact O-CB 3.45Å; C252-E256 PolarHBondContact O-N 2.89Å; V253-E256 PolarHBondContact O-N 2.89Å; E256-R258 VanDerWaalsContact C-N 3.26Å; E256-R258 PolarHBondContact O-N 3.02Å; E256-Q259 PolarHBondContact O-N 3.46Å
257C64.4Low67.8Low22 Ų2262.7 Ų62.715%0.14932%0.323CS..Hα-helixtrans-71.9-19.1171.1-65.90000113.4R83 T87 V253 I254 E255R83-C257 PolarHBondContact NH2-O 3.25Å; T87-C257 HydrophobicContact CG2-CB 3.71Å; V253-C257 WeakPolarHBondContact O-CB 3.44Å; V253-C257 PolarHBondContact O-N 2.92Å; V253-C257 PolarHBondContact O-SG 3.32Å; I254-C257 CarbonylContact O-C 3.13Å; I254-C257 WeakPolarHBondContact O-CA 3.26Å; I254-C257 WeakPolarHBondContact O-CB 3.5Å; I254-C257 PolarHBondContact O-N 3.13Å; I254-C257 VanDerWaalsContact O-N 3.15Å; E255-C257 VanDerWaalsContact C-N 3.31Å; E255-C257 PolarHBondContact O-N 2.88Å
258R65Low67.6Low90 Ų9066.8 Ų66.834%0.3435%0.346SS..Hα-helixtrans-85.8-30.3173-76177.6174.3-173.82112.5N169 S172 I254 E255 E256 S260N169-R258 PolarHBondContact OD1-NH2 2.84Å; S172-R258 PolarHBondContact OG-NH1 3.29Å; I254-R258 HydrophobicContact CG2-CG 4.48Å; I254-R258 WeakPolarHBondContact O-CG 3.13Å; I254-R258 PolarHBondContact O-N 2.87Å; E255-R258 CarbonylContact O-C 3.53Å; E255-R258 WeakPolarHBondContact O-CA 3.37Å; E255-R258 WeakPolarHBondContact O-CB 3.42Å; E255-R258 PolarHBondContact O-N 3.19Å; E256-R258 VanDerWaalsContact C-N 3.26Å; E256-R258 PolarHBondContact O-N 3.02Å; R258-S260 PolarHBondContact O-N 3.44Å
259Q59.2Low67.5Low142 Ų14266.2 Ų66.266%0.66434%0.344SS*.SBendtrans-47.3132.9178.9-77.4-179.25.800110.6E255 E256 M261E255-Q259 PolarHBondContact O-N 3.45Å; E256-Q259 PolarHBondContact O-N 3.46Å; Q259-M261 PolarHBondContact O-N 3.38Å
260S47.3Very low67.3Low113 Ų11372.7 Ų72.779%0.7938%0.383SS*.PPolyproline II helixtrans-48.8126.7-167.757.10000111.3R258R258-S260 PolarHBondContact O-N 3.44Å
261M50.8Low67.8Low88 Ų8878.5 Ų78.543%0.43341%0.408SS..PPolyproline II helixtrans-55152.7164-76-170.650.600109.8Q259 F264Q259-M261 PolarHBondContact O-N 3.38Å; M261-F264 HydrophobicContact CE-CD1 3.9Å; M261-F264 HydrophobicContact CE-CD2 4.43Å; M261-F264 HydrophobicContact CE-CE1 3.23Å; M261-F264 HydrophobicContact CE-CE2 3.83Å; M261-F264 HydrophobicContact CE-CG 4.47Å; M261-F264 HydrophobicContact CE-CZ 3.21Å; M261-F264 HydrophobicContact SD-CE1 3.87Å; M261-F264 HydrophobicContact SD-CE2 3.61Å; M261-F264 HydrophobicContact SD-CZ 3.16Å; M261-F264 WeakPolarHBondContact SD-CZ 3.47Å
262S49.8Very low68.4Low85 Ų8574.7 Ų74.759%0.59440%0.401SS*.SBendtrans-44.2131.3153.3172.20000107.4F264S262-F264 PolarHBondContact O-N 3.26Å; S262-F264 VanDerWaalsContact O-N 3.17Å
263P50.5Low69.1Low97 Ų9774.4 Ų74.463%0.6340%0.398SS*.  trans-46.5129.7-178.615.4-28.7000109G265P263-G265 PolarHBondContact O-N 3.28Å
264F57.7Low70.1Confident44 Ų4477.1 Ų77.119%0.19342%0.415CS..SBendtrans-62.593.8172.3-71.6-83.9000106.6M261 S262 V448M261-F264 HydrophobicContact CE-CD1 3.9Å; M261-F264 HydrophobicContact CE-CD2 4.43Å; M261-F264 HydrophobicContact CE-CE1 3.23Å; M261-F264 HydrophobicContact CE-CE2 3.83Å; M261-F264 HydrophobicContact CE-CG 4.47Å; M261-F264 HydrophobicContact CE-CZ 3.21Å; M261-F264 HydrophobicContact SD-CE1 3.87Å; M261-F264 HydrophobicContact SD-CE2 3.61Å; M261-F264 HydrophobicContact SD-CZ 3.16Å; M261-F264 WeakPolarHBondContact SD-CZ 3.47Å; S262-F264 PolarHBondContact O-N 3.26Å; S262-F264 VanDerWaalsContact O-N 3.17Å; F264-V448 HydrophobicContact CB-CG2 4.04Å
265G61.1Low71.2Confident51 Ų5177.3 Ų77.353%0.52642%0.416SS..  trans-141.7145178.900000107.1P263 R267P263-G265 PolarHBondContact O-N 3.28Å; G265-R267 PolarHBondContact O-N 3.18Å
266F67.7Low72.1Confident45 Ų4577.4 Ų77.420%0.19742%0.424CS..PPolyproline II helixtrans-64.3129.8174.5-60-71.6000109.6R67 Q69 L74 V448R67-F266 HydrophobicContact CB-CB 3.67Å; R67-F266 HydrophobicContact CB-CG 4.27Å; R67-F266 HydrophobicContact CG-CB 3.84Å; Q69-F266 HydrophobicContact CB-CD1 4.2Å; Q69-F266 HydrophobicContact CB-CE1 4Å; Q69-F266 HydrophobicContact CG-CD1 3.62Å; Q69-F266 HydrophobicContact CG-CE1 3.58Å; Q69-F266 HydrophobicContact CG-CG 4.42Å; Q69-F266 HydrophobicContact CG-CZ 4.39Å; L74-F266 HydrophobicContact CD2-CE1 3.42Å; L74-F266 VanDerWaalsContact CD2-CE1 3.42Å; L74-F266 HydrophobicContact CD2-CZ 3.57Å; F266-V448 HydrophobicContact CD2-CG1 4.34Å; F266-V448 HydrophobicContact CE2-CG1 3.92Å; F266-V448 HydrophobicContact CZ-CG1 4.24Å
267R75.4Confident73.4Confident196 Ų19675.9 Ų75.974%0.7442%0.424SS*.PPolyproline II helixtrans-70.9134.3170.9-64.6-177-177-177.2-0.2108.5L68 G265L68-R267 PolarHBondContact N-O 3.22Å; G265-R267 PolarHBondContact O-N 3.18Å
268N80.5Confident74.9Confident99 Ų9974.9 Ų74.953%0.52942%0.417SS..BIsolated β-bridgetrans-65.6141.8167.9-69.6-32.8000109.4
269D80.6Confident76.5Confident18 Ų1876.8 Ų76.810%0.09642%0.424CS..PPolyproline II helixtrans-62.6144.5165.7-162.7-25.4000109P66 L68 K271 R320P66-D269 HydrophobicContact CG-CB 4.11Å; P66-D269 WeakPolarHBondContact O-CB 3.45Å; P66-D269 PolarHBondContact O-N 3.1Å; L68-D269 HydrophobicContact CD1-CB 4.45Å; L68-D269 HydrophobicContact CD2-CB 4.12Å; L68-D269 HydrophobicContact CG-CB 4.06Å; D269-K271 PolarHBondContact O-N 3.39Å; D269-K271 PolarHBondContact OD1-N 3.43Å; D269-R320 IonicContact OD2-CZ 2.9Å; D269-R320 IonicContact OD2-NE 3.75Å; D269-R320 PolarHBondContact OD2-NE 3.34Å; D269-R320 IonicContact OD2-NH2 3.25Å; D269-R320 PolarHBondContact OD2-NH2 3.31Å
270V79.3Confident78.3Confident140 Ų14074.5 Ų74.585%0.84841%0.414SS*.SBendtrans-63.8-29.3171.8-174.80000109.9
271K86.6Confident80.7Confident126 Ų12672.1 Ų72.155%0.54839%0.39SS..SBendtrans-89.9125.5-177.7-174.2173.4-179.6-179.80112.4D269 F273D269-K271 PolarHBondContact O-N 3.39Å; D269-K271 PolarHBondContact OD1-N 3.43Å; K271-F273 HydrophobicContact CB-CE2 4.12Å; K271-F273 HydrophobicContact CD-CE2 3.94Å; K271-F273 HydrophobicContact CD-CZ 3.95Å; K271-F273 HydrophobicContact CG-CD2 4.23Å; K271-F273 HydrophobicContact CG-CE2 3.89Å; K271-F273 HydrophobicContact CG-CZ 4.4Å
272S92.2Very high83Confident49 Ų4968 Ų6834%0.34337%0.369SS..  trans-78.1147.6163.2-56.50000111.2F64 R65F64-S272 CarbonylContact O-C 3.51Å; F64-S272 WeakPolarHBondContact O-CA 2.95Å; R65-S272 VanDerWaalsContact CG-OG 3.23Å; R65-S272 WeakPolarHBondContact CG-OG 3.43Å; R65-S272 PolarHBondContact NE-OG 2.76Å
273F94.1Very high85.3Confident7 Ų765.6 Ų65.63%0.03135%0.35CS..EExtended strand (participates in β ladder)trans-122.2142.1178.6-78.5-100.9000111.2V63 F64 P66 K271 A277 F278 F281V63-F273 WeakPolarHBondContact CA-O 3.41Å; F64-F273 HydrophobicContact CE1-CB 4.5Å; F64-F273 HydrophobicContact CE2-CB 4.45Å; F64-F273 HydrophobicContact CZ-CB 4.24Å; F64-F273 PolarHBondContact N-O 3.34Å; F64-F273 PolarHBondContact O-N 2.86Å; P66-F273 HydrophobicContact CG-CD2 3.69Å; P66-F273 HydrophobicContact CG-CE2 3.95Å; K271-F273 HydrophobicContact CB-CE2 4.12Å; K271-F273 HydrophobicContact CD-CE2 3.94Å; K271-F273 HydrophobicContact CD-CZ 3.95Å; K271-F273 HydrophobicContact CG-CD2 4.23Å; K271-F273 HydrophobicContact CG-CE2 3.89Å; K271-F273 HydrophobicContact CG-CZ 4.4Å; F273-A277 HydrophobicContact CD1-CB 4.11Å; F273-F278 HydrophobicContact CB-CB 4.06Å; F273-F278 HydrophobicContact CB-CD2 4.16Å; F273-F278 HydrophobicContact CD1-CB 3.99Å; F273-F278 AromaticContact CD1-CD2 3.98Å; F273-F278 HydrophobicContact CD1-CD2 3.98Å; F273-F278 HydrophobicContact CD1-CG 4.47Å; F273-F278 HydrophobicContact CD2-CD2 4.38Å; F273-F278 HydrophobicContact CE1-CD2 4.45Å; F273-F278 HydrophobicContact CG-CB 4.31Å; F273-F278 AromaticContact CG-CD2 3.93Å; F273-F278 HydrophobicContact CG-CD2 3.93Å; F273-F281 HydrophobicContact CE1-CB 4.11Å; F273-F281 HydrophobicContact CE1-CG 4.3Å
274T94.5Very high87.5Confident58 Ų5863.5 Ų63.536%0.35633%0.333SS..EExtended strand (participates in β ladder)trans-79.8159.5155.7630000109.3V63 S276 A277 F278V63-T274 HydrophobicContact CG2-CG2 4.23Å; T274-S276 VanDerWaalsContact C-N 3.28Å; T274-S276 PolarHBondContact O-N 3.37Å; T274-A277 PolarHBondContact O-N 2.87Å; T274-A277 VanDerWaalsContact OG1-CB 3.32Å; T274-A277 WeakPolarHBondContact OG1-CB 3.33Å; T274-A277 PolarHBondContact OG1-N 2.88Å; T274-F278 WeakPolarHBondContact O-CB 3.31Å; T274-F278 PolarHBondContact O-N 2.78Å
275L93.9Very high89.5Confident10 Ų1063.1 Ų63.15%0.05233%0.331CS..Hα-helixtrans-55.7-42.8176.2-171.762.6000112.4F55 Y57 F62 F278 R279 V384 F408 F489F55-L275 HydrophobicContact CE1-CD2 3.66Å; F55-L275 HydrophobicContact CZ-CD2 4.23Å; Y57-L275 HydrophobicContact CD1-CD2 4.4Å; Y57-L275 HydrophobicContact CD2-CD2 4.31Å; Y57-L275 HydrophobicContact CE1-CD2 4.21Å; Y57-L275 HydrophobicContact CE2-CB 4.36Å; Y57-L275 HydrophobicContact CE2-CD2 4.12Å; Y57-L275 HydrophobicContact CG-CD2 4.44Å; F62-L275 HydrophobicContact CD1-CB 3.94Å; F62-L275 HydrophobicContact CE1-CB 4.17Å; F62-L275 HydrophobicContact CE1-CD1 4.03Å; F62-L275 HydrophobicContact CZ-CD1 4.47Å; L275-F278 PolarHBondContact O-N 3.36Å; L275-R279 WeakPolarHBondContact O-CB 3.12Å; L275-R279 PolarHBondContact O-N 2.99Å; L275-V384 HydrophobicContact CD1-CG1 3.81Å; L275-V384 HydrophobicContact CD1-CG2 4.09Å; L275-F408 HydrophobicContact CD1-CZ 4.25Å; L275-F408 HydrophobicContact CD2-CZ 3.99Å; L275-F489 HydrophobicContact CD1-CE2 4.09Å; L275-F489 HydrophobicContact CD1-CZ 3.79Å; L275-F489 HydrophobicContact CG-CZ 4.24Å
276S94.3Very high91.3Very high71 Ų7160.8 Ų60.850%0.49731%0.307SS..Hα-helixtrans-65.1-42.2178.1-56.50000113T274 R279 Q280T274-S276 VanDerWaalsContact C-N 3.28Å; T274-S276 PolarHBondContact O-N 3.37Å; S276-R279 WeakPolarHBondContact O-CB 3.47Å; S276-R279 PolarHBondContact O-N 3.26Å; S276-Q280 PolarHBondContact O-N 3.5Å; S276-Q280 VanDerWaalsContact O-N 3.15Å
277A95.9Very high92.7Very high43 Ų4363.6 Ų63.636%0.35532%0.316SS..Hα-helixtrans-66.8-39.6177.400000111.4F273 T274 Q280 F281F273-A277 HydrophobicContact CD1-CB 4.11Å; T274-A277 PolarHBondContact O-N 2.87Å; T274-A277 VanDerWaalsContact OG1-CB 3.32Å; T274-A277 WeakPolarHBondContact OG1-CB 3.33Å; T274-A277 PolarHBondContact OG1-N 2.88Å; A277-Q280 PolarHBondContact O-N 3.32Å; A277-F281 WeakPolarHBondContact O-CB 3.47Å; A277-F281 PolarHBondContact O-N 2.76Å; A277-F281 VanDerWaalsContact O-N 3.1Å
278F97Very high93.8Very high0 Ų060 Ų600%031%0.312CS..Hα-helixtrans-67.7-40.1177.1-165.7-90.7000111.7F64 P66 F273 T274 L275 Q280 F281 A282 R320 V384 M386 F489F64-F278 HydrophobicContact CE1-CB 4.49Å; F64-F278 AromaticContact CE2-CD2 3.88Å; F64-F278 HydrophobicContact CE2-CD2 3.88Å; F64-F278 HydrophobicContact CE2-CE2 4.18Å; F64-F278 HydrophobicContact CE2-CG 4.21Å; F64-F278 HydrophobicContact CZ-CB 3.78Å; F64-F278 HydrophobicContact CZ-CD1 4.28Å; F64-F278 AromaticContact CZ-CD2 3.82Å; F64-F278 HydrophobicContact CZ-CD2 3.82Å; F64-F278 HydrophobicContact CZ-CE2 4.47Å; F64-F278 AromaticContact CZ-CG 3.69Å; F64-F278 HydrophobicContact CZ-CG 3.69Å; P66-F278 HydrophobicContact CB-CE2 3.95Å; P66-F278 HydrophobicContact CG-CE2 4.14Å; F273-F278 HydrophobicContact CB-CB 4.06Å; F273-F278 HydrophobicContact CB-CD2 4.16Å; F273-F278 HydrophobicContact CD1-CB 3.99Å; F273-F278 AromaticContact CD1-CD2 3.98Å; F273-F278 HydrophobicContact CD1-CD2 3.98Å; F273-F278 HydrophobicContact CD1-CG 4.47Å; F273-F278 HydrophobicContact CD2-CD2 4.38Å; F273-F278 HydrophobicContact CE1-CD2 4.45Å; F273-F278 HydrophobicContact CG-CB 4.31Å; F273-F278 AromaticContact CG-CD2 3.93Å; F273-F278 HydrophobicContact CG-CD2 3.93Å; T274-F278 WeakPolarHBondContact O-CB 3.31Å; T274-F278 PolarHBondContact O-N 2.78Å; L275-F278 PolarHBondContact O-N 3.36Å; F278-Q280 PolarHBondContact O-N 2.74Å; F278-F281 PolarHBondContact O-N 3.13Å; F278-A282 HydrophobicContact CD1-CB 4.46Å; F278-A282 HydrophobicContact CE1-CB 4.39Å; F278-A282 VanDerWaalsContact O-CB 3.3Å; F278-A282 WeakPolarHBondContact O-CB 2.98Å; F278-A282 PolarHBondContact O-N 3.27Å; F278-R320 HydrophobicContact CE2-CB 3.71Å; F278-R320 HydrophobicContact CZ-CB 4.05Å; F278-V384 HydrophobicContact CD1-CG1 3.53Å; F278-V384 HydrophobicContact CE1-CG1 3.82Å; F278-V384 HydrophobicContact CG-CG1 4.26Å; F278-M386 HydrophobicContact CE1-CB 4.08Å; F278-M386 HydrophobicContact CZ-CB 4.24Å; F278-M386 HydrophobicContact CZ-CG 4.4Å; F278-M386 HydrophobicContact CZ-SD 4.38Å; F278-F489 HydrophobicContact CD1-CD2 4.01Å; F278-F489 AromaticContact CD1-CE2 3.96Å; F278-F489 HydrophobicContact CD1-CE2 3.96Å; F278-F489 HydrophobicContact CE1-CD2 4.48Å
279R97.4Very high94.6Very high130 Ų13058.6 Ų58.649%0.49130%0.299SS..Hα-helixtrans-54.1-51.5173.5178.9172.7-172.2-87.71.1111.6L275 S276 F281 A282 I283 F489L275-R279 WeakPolarHBondContact O-CB 3.12Å; L275-R279 PolarHBondContact O-N 2.99Å; S276-R279 WeakPolarHBondContact O-CB 3.47Å; S276-R279 PolarHBondContact O-N 3.26Å; R279-F281 PolarHBondContact O-N 3.33Å; R279-A282 PolarHBondContact O-N 3.25Å; R279-I283 HydrophobicContact CG-CD1 3.73Å; R279-I283 HydrophobicContact CG-CG1 4.48Å; R279-I283 WeakPolarHBondContact O-CB 3.25Å; R279-I283 VanDerWaalsContact O-CG1 3.29Å; R279-I283 WeakPolarHBondContact O-CG1 3.47Å; R279-I283 PolarHBondContact O-N 3.49Å; R279-F489 HydrophobicContact CB-CD1 4.03Å; R279-F489 HydrophobicContact CB-CD2 4.16Å; R279-F489 HydrophobicContact CB-CE1 3.63Å; R279-F489 HydrophobicContact CB-CE2 3.79Å; R279-F489 HydrophobicContact CB-CG 4.25Å; R279-F489 HydrophobicContact CB-CZ 3.51Å; R279-F489 HydrophobicContact CG-CD1 3.58Å; R279-F489 HydrophobicContact CG-CE1 3.47Å; R279-F489 VanDerWaalsContact CG-CE1 3.47Å; R279-F489 HydrophobicContact CG-CE2 4.43Å; R279-F489 HydrophobicContact CG-CG 4.09Å; R279-F489 HydrophobicContact CG-CZ 3.94Å
280Q97.9Very high95.4Very high95 Ų9559.8 Ų59.844%0.44430%0.303SS..Hα-helixtrans-60.9-47.9-179.7-172.558.144.600110.7S276 A277 F278 A282 I283 D284S276-Q280 PolarHBondContact O-N 3.5Å; S276-Q280 VanDerWaalsContact O-N 3.15Å; A277-Q280 PolarHBondContact O-N 3.32Å; F278-Q280 PolarHBondContact O-N 2.74Å; Q280-A282 VanDerWaalsContact C-N 3.35Å; Q280-A282 PolarHBondContact O-N 2.89Å; Q280-I283 PolarHBondContact O-N 3.42Å; Q280-D284 PolarHBondContact NE2-OD1 3.19Å; Q280-D284 PolarHBondContact NE2-OD2 2.8Å; Q280-D284 WeakPolarHBondContact O-CB 3.38Å; Q280-D284 VanDerWaalsContact O-CG 3.24Å; Q280-D284 PolarHBondContact O-N 3.29Å
281F97.6Very high96.3Very high63 Ų6360.2 Ų60.228%0.27630%0.301SS..Hα-helixtrans-56.1-46.2176.1177-93.7000112.8F273 A277 F278 R279 D284 F285 R320 M386F273-F281 HydrophobicContact CE1-CB 4.11Å; F273-F281 HydrophobicContact CE1-CG 4.3Å; A277-F281 WeakPolarHBondContact O-CB 3.47Å; A277-F281 PolarHBondContact O-N 2.76Å; A277-F281 VanDerWaalsContact O-N 3.1Å; F278-F281 PolarHBondContact O-N 3.13Å; R279-F281 PolarHBondContact O-N 3.33Å; F281-D284 PolarHBondContact O-N 3.04Å; F281-F285 WeakPolarHBondContact O-CB 3.29Å; F281-F285 PolarHBondContact O-N 3.11Å; F281-R320 HydrophobicContact CE1-CG 4.39Å; F281-M386 HydrophobicContact CD1-CE 4.32Å; F281-M386 HydrophobicContact CD1-SD 4.22Å; F281-M386 HydrophobicContact CE1-CE 3.66Å; F281-M386 HydrophobicContact CE1-SD 3.68Å; F281-M386 HydrophobicContact CZ-CE 4.48Å
282A98.3Very high96.6Very high1 Ų156.7 Ų56.71%0.00829%0.292CS..Hα-helixtrans-67.3-40-178.400000112.7F278 R279 Q280 K286 M386 F489F278-A282 HydrophobicContact CD1-CB 4.46Å; F278-A282 HydrophobicContact CE1-CB 4.39Å; F278-A282 VanDerWaalsContact O-CB 3.3Å; F278-A282 WeakPolarHBondContact O-CB 2.98Å; F278-A282 PolarHBondContact O-N 3.27Å; R279-A282 PolarHBondContact O-N 3.25Å; Q280-A282 VanDerWaalsContact C-N 3.35Å; Q280-A282 PolarHBondContact O-N 2.89Å; A282-K286 PolarHBondContact O-N 3.39Å; A282-M386 HydrophobicContact CB-CB 3.56Å; A282-F489 HydrophobicContact CB-CB 3.82Å; A282-F489 HydrophobicContact CB-CD2 4.06Å; A282-F489 HydrophobicContact CB-CG 4.33Å
283I98.3Very high96.8Very high35 Ų3557.9 Ų57.918%0.17929%0.294CS..Hα-helixtrans-64.9-46.7175.6-71.1171000110.4R279 Q280 F285 K286 R287 P294R279-I283 HydrophobicContact CG-CD1 3.73Å; R279-I283 HydrophobicContact CG-CG1 4.48Å; R279-I283 WeakPolarHBondContact O-CB 3.25Å; R279-I283 VanDerWaalsContact O-CG1 3.29Å; R279-I283 WeakPolarHBondContact O-CG1 3.47Å; R279-I283 PolarHBondContact O-N 3.49Å; Q280-I283 PolarHBondContact O-N 3.42Å; I283-F285 VanDerWaalsContact C-N 3.35Å; I283-F285 PolarHBondContact O-N 3.43Å; I283-K286 PolarHBondContact O-N 3.29Å; I283-R287 WeakPolarHBondContact O-CB 3.45Å; I283-R287 PolarHBondContact O-N 2.89Å; I283-P294 HydrophobicContact CG2-CG 4.38Å
284D98.3Very high96.8Very high52 Ų5258.2 Ų58.228%0.27830%0.297SS..Hα-helixtrans-65.1-40.3-180-66.8-23.4000111.4Q280 F281 R287 N288Q280-D284 PolarHBondContact NE2-OD1 3.19Å; Q280-D284 PolarHBondContact NE2-OD2 2.8Å; Q280-D284 WeakPolarHBondContact O-CB 3.38Å; Q280-D284 VanDerWaalsContact O-CG 3.24Å; Q280-D284 PolarHBondContact O-N 3.29Å; F281-D284 PolarHBondContact O-N 3.04Å; D284-R287 PolarHBondContact O-N 3.03Å; D284-R287 IonicContact OD1-CZ 2.64Å; D284-R287 IonicContact OD1-NH1 2.83Å; D284-R287 PolarHBondContact OD1-NH1 2.72Å; D284-N288 VanDerWaalsContact O-CB 3.3Å; D284-N288 WeakPolarHBondContact O-CB 3.42Å; D284-N288 PolarHBondContact O-N 3.16Å; D284-N288 PolarHBondContact O-ND2 3.46Å
285F98.4Very high96.8Very high36 Ų3660.8 Ų60.816%0.15831%0.313CS..Hα-helixtrans-57.2-52.3172.7176-88.7000111.9F281 I283 R287 N288 Y289 V317 V319 M386 C387 F388F281-F285 WeakPolarHBondContact O-CB 3.29Å; F281-F285 PolarHBondContact O-N 3.11Å; I283-F285 VanDerWaalsContact C-N 3.35Å; I283-F285 PolarHBondContact O-N 3.43Å; F285-R287 VanDerWaalsContact C-N 3.35Å; F285-R287 PolarHBondContact O-N 3.33Å; F285-N288 PolarHBondContact O-N 3.09Å; F285-Y289 WeakPolarHBondContact O-CB 3.16Å; F285-Y289 PolarHBondContact O-N 3.09Å; F285-V317 HydrophobicContact CE2-CG1 4.27Å; F285-V317 HydrophobicContact CZ-CG1 3.9Å; F285-V319 HydrophobicContact CE1-CG1 4.23Å; F285-V319 HydrophobicContact CE2-CG1 4.25Å; F285-V319 HydrophobicContact CZ-CG1 3.72Å; F285-M386 HydrophobicContact CB-CE 3.56Å; F285-M386 HydrophobicContact CD1-CE 3.3Å; F285-M386 HydrophobicContact CD2-CE 3.64Å; F285-M386 HydrophobicContact CE1-CE 3.86Å; F285-M386 HydrophobicContact CE2-CE 4.13Å; F285-M386 HydrophobicContact CG-CE 3.18Å; F285-M386 HydrophobicContact CZ-CE 4.24Å; F285-C387 HydrophobicContact CD1-CB 4.12Å; F285-C387 HydrophobicContact CE1-CB 4.08Å; F285-F388 AromaticContact CE1-CD2 3.77Å; F285-F388 HydrophobicContact CE1-CD2 3.77Å; F285-F388 HydrophobicContact CE1-CE2 4.07Å; F285-F388 AromaticContact CZ-CD2 4Å; F285-F388 HydrophobicContact CZ-CD2 4Å; F285-F388 HydrophobicContact CZ-CE2 4.37Å
286K98.4Very high96.9Very high3 Ų368 Ų681%0.01334%0.344CS..Hα-helixtrans-63.6-41.1-177.9-172.1171.2171.9-177.60111.1A282 I283 F290 P294 C387 D410 N487A282-K286 PolarHBondContact O-N 3.39Å; I283-K286 PolarHBondContact O-N 3.29Å; K286-F290 HydrophobicContact CG-CD2 3.97Å; K286-F290 HydrophobicContact CG-CE2 4.28Å; K286-F290 WeakPolarHBondContact O-CD2 3.19Å; K286-F290 PolarHBondContact O-N 2.75Å; K286-F290 VanDerWaalsContact O-N 3.14Å; K286-P294 HydrophobicContact CB-CB 4.23Å; K286-P294 HydrophobicContact CB-CG 4.48Å; K286-P294 HydrophobicContact CD-CB 3.97Å; K286-P294 WeakPolarHBondContact CE-O 3.23Å; K286-P294 HydrophobicContact CG-CB 3.97Å; K286-P294 PolarHBondContact NZ-O 3.11Å; K286-C387 HydrophobicContact CB-CB 4.19Å; K286-C387 HydrophobicContact CD-CB 4.21Å; K286-C387 HydrophobicContact CG-CB 4.2Å; K286-D410 IonicContact NZ-OD1 2.95Å; K286-D410 PolarHBondContact NZ-OD1 3.44Å; K286-D410 IonicContact NZ-OD2 3.1Å; K286-N487 WeakPolarHBondContact CD-O 3.3Å; K286-N487 VanDerWaalsContact CE-O 3.23Å; K286-N487 WeakPolarHBondContact CE-O 3.31Å; K286-N487 PolarHBondContact NZ-O 2.97Å
287R98.2Very high97.1Very high103 Ų10365.5 Ų65.539%0.38933%0.326SS..Hα-helixtrans-60.3-49.5176.4-172-175.5-61.8112.10.5111.4I283 D284 F285 N291 C292 P294I283-R287 WeakPolarHBondContact O-CB 3.45Å; I283-R287 PolarHBondContact O-N 2.89Å; D284-R287 PolarHBondContact O-N 3.03Å; D284-R287 IonicContact OD1-CZ 2.64Å; D284-R287 IonicContact OD1-NH1 2.83Å; D284-R287 PolarHBondContact OD1-NH1 2.72Å; F285-R287 VanDerWaalsContact C-N 3.35Å; F285-R287 PolarHBondContact O-N 3.33Å; R287-N291 VanDerWaalsContact O-CA 3.27Å; R287-N291 WeakPolarHBondContact O-CA 3.49Å; R287-N291 PolarHBondContact O-N 2.82Å; R287-C292 WeakPolarHBondContact CG-O 3.28Å; R287-P294 HydrophobicContact CB-CG 3.69Å; R287-P294 HydrophobicContact CG-CG 4.38Å
288N97.8Very high97.2Very high122 Ų12265.7 Ų65.765%0.65232%0.324SS*.Hα-helixtrans-70.2-36.8-176-66.2-14.7000111.9D284 F285D284-N288 VanDerWaalsContact O-CB 3.3Å; D284-N288 WeakPolarHBondContact O-CB 3.42Å; D284-N288 PolarHBondContact O-N 3.16Å; D284-N288 PolarHBondContact O-ND2 3.46Å; F285-N288 PolarHBondContact O-N 3.09Å
289Y98Very high97.2Very high69 Ų6967.5 Ų67.527%0.27134%0.337SS..Hα-helixtrans-66.8-48.4178.6-175-85.8000112.1F285 Q305 L309 V317 F388F285-Y289 WeakPolarHBondContact O-CB 3.16Å; F285-Y289 PolarHBondContact O-N 3.09Å; Y289-Q305 HydrophobicContact CE1-CB 4.16Å; Y289-Q305 HydrophobicContact CE1-CG 4.2Å; Y289-Q305 PolarHBondContact OH-OE1 3.31Å; Y289-Q305 VanDerWaalsContact OH-OE1 3.09Å; Y289-L309 HydrophobicContact CE2-CD1 4.05Å; Y289-L309 HydrophobicContact CE2-CD2 4.26Å; Y289-V317 HydrophobicContact CD2-CG2 4.48Å; Y289-V317 HydrophobicContact CE2-CG2 4Å; Y289-F388 AromaticContact CD1-CE2 3.71Å; Y289-F388 HydrophobicContact CD1-CE2 3.71Å; Y289-F388 AromaticContact CD1-CZ 3.8Å; Y289-F388 HydrophobicContact CD1-CZ 3.8Å; Y289-F388 HydrophobicContact CD2-CE2 4.03Å; Y289-F388 AromaticContact CE1-CE2 3.66Å; Y289-F388 HydrophobicContact CE1-CE2 3.66Å; Y289-F388 AromaticContact CE1-CZ 3.51Å; Y289-F388 HydrophobicContact CE1-CZ 3.51Å; Y289-F388 AromaticContact CE2-CE2 3.97Å; Y289-F388 HydrophobicContact CE2-CE2 3.97Å; Y289-F388 AromaticContact CG-CE2 3.92Å; Y289-F388 HydrophobicContact CG-CE2 3.92Å; Y289-F388 HydrophobicContact CG-CZ 4.46Å; Y289-F388 AromaticContact CZ-CE2 3.8Å; Y289-F388 AromaticContact CZ-CZ 3.94Å
290F97.6Very high97.1Very high42 Ų4266 Ų6618%0.18434%0.338CS..Hα-helixtrans-87.9-8.2-177.6-72-82.5000113.9K286 C292 V297 V302 Q305 F388K286-F290 HydrophobicContact CG-CD2 3.97Å; K286-F290 HydrophobicContact CG-CE2 4.28Å; K286-F290 WeakPolarHBondContact O-CD2 3.19Å; K286-F290 PolarHBondContact O-N 2.75Å; K286-F290 VanDerWaalsContact O-N 3.14Å; F290-C292 PolarHBondContact O-N 2.79Å; F290-V297 HydrophobicContact CB-CG2 3.85Å; F290-V297 HydrophobicContact CD1-CG1 3.71Å; F290-V297 HydrophobicContact CD1-CG2 4.24Å; F290-V297 HydrophobicContact CD2-CG1 4.09Å; F290-V297 HydrophobicContact CD2-CG2 4.06Å; F290-V297 HydrophobicContact CE1-CG1 3.62Å; F290-V297 HydrophobicContact CE2-CG1 4.03Å; F290-V297 HydrophobicContact CG-CG1 3.95Å; F290-V297 HydrophobicContact CG-CG2 3.79Å; F290-V297 HydrophobicContact CZ-CG1 3.8Å; F290-V302 HydrophobicContact CE2-CG2 4.28Å; F290-V302 HydrophobicContact CZ-CB 4.44Å; F290-V302 HydrophobicContact CZ-CG2 3.94Å; F290-Q305 HydrophobicContact CE1-CB 4.28Å; F290-Q305 HydrophobicContact CE1-CG 3.73Å; F290-Q305 HydrophobicContact CZ-CB 4.26Å; F290-Q305 HydrophobicContact CZ-CG 4.21Å; F290-F388 HydrophobicContact CE2-CE1 4.5Å; F290-F388 HydrophobicContact CE2-CE2 4.42Å; F290-F388 AromaticContact CE2-CZ 3.79Å; F290-F388 HydrophobicContact CE2-CZ 3.79Å; F290-F388 HydrophobicContact CZ-CE1 4.15Å; F290-F388 AromaticContact CZ-CZ 3.63Å; F290-F388 HydrophobicContact CZ-CZ 3.63Å
291N96.8Very high97.1Very high150 Ų15065.4 Ų65.480%0.80234%0.338SS*.THydrogen-bonded Turntrans51.437.4-176.3-165.740.1000113.4R287R287-N291 VanDerWaalsContact O-CA 3.27Å; R287-N291 WeakPolarHBondContact O-CA 3.49Å; R287-N291 PolarHBondContact O-N 2.82Å
292C94.8Very high97.1Very high52 Ų5262.4 Ų62.435%0.35133%0.325SS..SBendtrans-152.1176.7179.372.90000110.9R287 F290 P294 V297R287-C292 WeakPolarHBondContact CG-O 3.28Å; F290-C292 PolarHBondContact O-N 2.79Å; C292-P294 VanDerWaalsContact O-CD 3.32Å; C292-P294 WeakPolarHBondContact O-CD 3.5Å; C292-V297 WeakPolarHBondContact SG-CG2 3.42Å
293D95.1Very high97.1Very high73 Ų7363.4 Ų63.439%0.3933%0.33SS..  trans-59119.8171.8-178.2-15.7000110T295 K296D293-T295 PolarHBondContact O-N 2.85Å; D293-T295 PolarHBondContact OD1-N 3.47Å; D293-T295 PolarHBondContact OD1-OG1 3.32Å; D293-T295 PolarHBondContact OD2-OG1 2.83Å; D293-T295 VanDerWaalsContact OD2-OG1 3.14Å; D293-K296 HydrophobicContact CB-CB 4.46Å; D293-K296 HydrophobicContact CB-CD 4Å; D293-K296 HydrophobicContact CB-CG 3.99Å; D293-K296 PolarHBondContact O-N 2.91Å
294P94.9Very high97Very high14 Ų1468.1 Ų68.19%0.09135%0.348CS..G310 helixtrans-53.2-27.5-179.6-28.936.7000114.8I283 K286 R287 C292 K296I283-P294 HydrophobicContact CG2-CG 4.38Å; K286-P294 HydrophobicContact CB-CB 4.23Å; K286-P294 HydrophobicContact CB-CG 4.48Å; K286-P294 HydrophobicContact CD-CB 3.97Å; K286-P294 WeakPolarHBondContact CE-O 3.23Å; K286-P294 HydrophobicContact CG-CB 3.97Å; K286-P294 PolarHBondContact NZ-O 3.11Å; R287-P294 HydrophobicContact CB-CG 3.69Å; R287-P294 HydrophobicContact CG-CG 4.38Å; C292-P294 VanDerWaalsContact O-CD 3.32Å; C292-P294 WeakPolarHBondContact O-CD 3.5Å; P294-K296 VanDerWaalsContact C-N 3.29Å
295T94.4Very high96.9Very high112 Ų11268.2 Ų68.269%0.68735%0.347SS*.G310 helixtrans-75.4-17.7-179.765.80000113.4D293D293-T295 PolarHBondContact O-N 2.85Å; D293-T295 PolarHBondContact OD1-N 3.47Å; D293-T295 PolarHBondContact OD1-OG1 3.32Å; D293-T295 PolarHBondContact OD2-OG1 2.83Å; D293-T295 VanDerWaalsContact OD2-OG1 3.14Å
296K96.3Very high96.9Very high163 Ų16366.5 Ų66.571%0.70934%0.34SS*.G310 helixtrans-91.4-8.1-179.9-62.6-175.3-175.4179.80113.4D293 P294 S298D293-K296 HydrophobicContact CB-CB 4.46Å; D293-K296 HydrophobicContact CB-CD 4Å; D293-K296 HydrophobicContact CB-CG 3.99Å; D293-K296 PolarHBondContact O-N 2.91Å; P294-K296 VanDerWaalsContact C-N 3.29Å; K296-S298 PolarHBondContact O-N 3.33Å
297V97.6Very high96.8Very high18 Ų1867.6 Ų67.611%0.10934%0.344CS..  trans-79.5118.5179-169.60000109.3F290 C292 D301 V302F290-V297 HydrophobicContact CB-CG2 3.85Å; F290-V297 HydrophobicContact CD1-CG1 3.71Å; F290-V297 HydrophobicContact CD1-CG2 4.24Å; F290-V297 HydrophobicContact CD2-CG1 4.09Å; F290-V297 HydrophobicContact CD2-CG2 4.06Å; F290-V297 HydrophobicContact CE1-CG1 3.62Å; F290-V297 HydrophobicContact CE2-CG1 4.03Å; F290-V297 HydrophobicContact CG-CG1 3.95Å; F290-V297 HydrophobicContact CG-CG2 3.79Å; F290-V297 HydrophobicContact CZ-CG1 3.8Å; C292-V297 WeakPolarHBondContact SG-CG2 3.42Å; V297-D301 HydrophobicContact CG1-CB 4.12Å; V297-V302 HydrophobicContact CG1-CG2 3.62Å
298S97.6Very high96.6Very high47 Ų4767.3 Ų67.333%0.32935%0.347SS..  trans-72.5158.7179.876.70000112.2K296 D300 D301 V302K296-S298 PolarHBondContact O-N 3.33Å; S298-D300 PolarHBondContact O-N 3.5Å; S298-D301 WeakPolarHBondContact CB-OD2 3.32Å; S298-D301 PolarHBondContact O-N 2.83Å; S298-D301 WeakPolarHBondContact OG-CB 3.46Å; S298-D301 PolarHBondContact OG-N 3.34Å; S298-D301 VanDerWaalsContact OG-N 3.08Å; S298-D301 PolarHBondContact OG-OD2 2.91Å; S298-V302 WeakPolarHBondContact O-CG2 3.39Å; S298-V302 PolarHBondContact O-N 2.87Å; S298-V302 VanDerWaalsContact O-N 3.1Å
299C97.6Very high96.5Very high38 Ų3862 Ų6226%0.25732%0.319SS..Hα-helixtrans-62.4-33.9175.5-660000112.1V302 E303 N487C299-V302 PolarHBondContact O-N 3.27Å; C299-E303 WeakPolarHBondContact O-CB 3.35Å; C299-E303 PolarHBondContact O-N 3.46Å; C299-N487 WeakPolarHBondContact CA-OD1 3.31Å
300D95.8Very high96.3Very high98 Ų9858.8 Ų58.852%0.52431%0.306SS..Hα-helixtrans-69.9-38.3178.5-63.4-28.4000111.8S298 E303 K304 K465 H467S298-D300 PolarHBondContact O-N 3.5Å; D300-E303 PolarHBondContact O-N 3.45Å; D300-K304 WeakPolarHBondContact O-CB 3.41Å; D300-K304 PolarHBondContact O-N 2.93Å; D300-K465 IonicContact OD1-NZ 3.53Å; D300-H467 IonicContact OD1-NE2 3.16Å
301D97.2Very high95.8Very high82 Ų8259.4 Ų59.444%0.43932%0.319SS..Hα-helixtrans-64.4-42.5173.9-67.5-45.7000111.2V297 S298 Q305V297-D301 HydrophobicContact CG1-CB 4.12Å; S298-D301 WeakPolarHBondContact CB-OD2 3.32Å; S298-D301 PolarHBondContact O-N 2.83Å; S298-D301 WeakPolarHBondContact OG-CB 3.46Å; S298-D301 PolarHBondContact OG-N 3.34Å; S298-D301 VanDerWaalsContact OG-N 3.08Å; S298-D301 PolarHBondContact OG-OD2 2.91Å; D301-Q305 WeakPolarHBondContact O-CG 3.19Å; D301-Q305 PolarHBondContact O-N 3.44Å
302V98.3Very high95.4Very high0 Ų055 Ų550%030%0.296CS..Hα-helixtrans-63-46.3174.9-179.20000110.7F290 V297 S298 C299 K304 Q305 F306 F388 F485 N487F290-V302 HydrophobicContact CE2-CG2 4.28Å; F290-V302 HydrophobicContact CZ-CB 4.44Å; F290-V302 HydrophobicContact CZ-CG2 3.94Å; V297-V302 HydrophobicContact CG1-CG2 3.62Å; S298-V302 WeakPolarHBondContact O-CG2 3.39Å; S298-V302 PolarHBondContact O-N 2.87Å; S298-V302 VanDerWaalsContact O-N 3.1Å; C299-V302 PolarHBondContact O-N 3.27Å; V302-K304 PolarHBondContact O-N 3.43Å; V302-Q305 PolarHBondContact O-N 3.28Å; V302-F306 VanDerWaalsContact O-CB 3.26Å; V302-F306 WeakPolarHBondContact O-CB 3.35Å; V302-F306 PolarHBondContact O-N 3.43Å; V302-F388 HydrophobicContact CG1-CD1 3.9Å; V302-F388 HydrophobicContact CG1-CE1 3.61Å; V302-F485 HydrophobicContact CG1-CD2 4.41Å; V302-F485 HydrophobicContact CG1-CE2 3.92Å; V302-N487 WeakPolarHBondContact CB-OD1 3.16Å; V302-N487 HydrophobicContact CG1-CB 4.47Å; V302-N487 HydrophobicContact CG2-CB 4.45Å
303E97.6Very high94.6Very high23 Ų2354.7 Ų54.711%0.10729%0.293CS..Hα-helixtrans-60.4-44.6179.1-175.9175.2-157.100112.1C299 D300 Q305 F306 W307 Y415 K465 F485C299-E303 WeakPolarHBondContact O-CB 3.35Å; C299-E303 PolarHBondContact O-N 3.46Å; D300-E303 PolarHBondContact O-N 3.45Å; E303-Q305 PolarHBondContact O-N 3.33Å; E303-F306 WeakPolarHBondContact O-CB 3.42Å; E303-F306 PolarHBondContact O-N 3.05Å; E303-W307 VanDerWaalsContact O-CD1 3.27Å; E303-W307 PolarHBondContact O-N 3.13Å; E303-W307 VanDerWaalsContact O-N 3.09Å; E303-Y415 PolarHBondContact OE1-OH 3.23Å; E303-K465 IonicContact OE1-NZ 3.92Å; E303-K465 WeakPolarHBondContact OE2-CE 3.28Å; E303-K465 IonicContact OE2-NZ 2.65Å; E303-K465 PolarHBondContact OE2-NZ 2.87Å; E303-F485 HydrophobicContact CB-CZ 3.75Å; E303-F485 HydrophobicContact CG-CE1 4.27Å; E303-F485 HydrophobicContact CG-CZ 3.91Å
304K96.2Very high93.9Very high133 Ų13356.7 Ų56.758%0.57831%0.308SS*.Hα-helixtrans-59.1-46.9176.4-178.2178.7178.7178.90111.4D300 V302 Q308D300-K304 WeakPolarHBondContact O-CB 3.41Å; D300-K304 PolarHBondContact O-N 2.93Å; V302-K304 PolarHBondContact O-N 3.43Å; K304-Q308 WeakPolarHBondContact O-CG 3.39Å; K304-Q308 PolarHBondContact O-N 3.29Å
305Q97.4Very high93.5Very high54 Ų5456.6 Ų56.625%0.25231%0.308SS..Hα-helixtrans-67.3-38.3177.6-71.9-57.2-55.600112.3Y289 F290 D301 V302 E303 Q308 L309 F388Y289-Q305 HydrophobicContact CE1-CB 4.16Å; Y289-Q305 HydrophobicContact CE1-CG 4.2Å; Y289-Q305 PolarHBondContact OH-OE1 3.31Å; Y289-Q305 VanDerWaalsContact OH-OE1 3.09Å; F290-Q305 HydrophobicContact CE1-CB 4.28Å; F290-Q305 HydrophobicContact CE1-CG 3.73Å; F290-Q305 HydrophobicContact CZ-CB 4.26Å; F290-Q305 HydrophobicContact CZ-CG 4.21Å; D301-Q305 WeakPolarHBondContact O-CG 3.19Å; D301-Q305 PolarHBondContact O-N 3.44Å; V302-Q305 PolarHBondContact O-N 3.28Å; E303-Q305 PolarHBondContact O-N 3.33Å; Q305-Q308 WeakPolarHBondContact O-CB 3.44Å; Q305-Q308 PolarHBondContact O-N 2.8Å; Q305-L309 WeakPolarHBondContact O-CG 3.42Å; Q305-L309 PolarHBondContact O-N 2.67Å; Q305-F388 HydrophobicContact CB-CE1 4.02Å; Q305-F388 HydrophobicContact CB-CZ 3.94Å
306F98.1Very high93.2Very high1 Ų155.8 Ų55.80%0.00431%0.312CS..Hα-helixtrans-57.5-52.8178.3174.4-107000111.4V302 E303 Q308 L309 V310 F388 T390 L450 F485V302-F306 VanDerWaalsContact O-CB 3.26Å; V302-F306 WeakPolarHBondContact O-CB 3.35Å; V302-F306 PolarHBondContact O-N 3.43Å; E303-F306 WeakPolarHBondContact O-CB 3.42Å; E303-F306 PolarHBondContact O-N 3.05Å; F306-Q308 VanDerWaalsContact C-N 3.29Å; F306-Q308 PolarHBondContact O-N 3.22Å; F306-L309 WeakPolarHBondContact O-CB 3.32Å; F306-L309 PolarHBondContact O-N 3.09Å; F306-L309 VanDerWaalsContact O-N 3.1Å; F306-V310 HydrophobicContact CD1-CG2 4.32Å; F306-V310 HydrophobicContact CD2-CG2 4.2Å; F306-V310 HydrophobicContact CE1-CG2 3.88Å; F306-V310 HydrophobicContact CE2-CG2 3.74Å; F306-V310 HydrophobicContact CG-CG2 4.48Å; F306-V310 HydrophobicContact CZ-CG2 3.58Å; F306-V310 WeakPolarHBondContact O-CG2 3.34Å; F306-V310 PolarHBondContact O-N 3.35Å; F306-F388 HydrophobicContact CB-CD1 3.86Å; F306-F388 HydrophobicContact CB-CE1 4.18Å; F306-F388 HydrophobicContact CD2-CB 4.01Å; F306-F388 HydrophobicContact CD2-CD1 4.02Å; F306-F388 HydrophobicContact CD2-CG 4.43Å; F306-F388 HydrophobicContact CG-CD1 4.44Å; F306-T390 WeakPolarHBondContact CE2-OG1 3.38Å; F306-T390 HydrophobicContact CZ-CG2 4.03Å; F306-T390 WeakPolarHBondContact CZ-OG1 3.29Å; F306-L450 HydrophobicContact CE1-CD2 3.94Å; F306-L450 HydrophobicContact CZ-CD2 3.72Å; F306-F485 HydrophobicContact CB-CE1 4.48Å; F306-F485 HydrophobicContact CB-CE2 4.36Å; F306-F485 HydrophobicContact CB-CZ 4.35Å; F306-F485 AromaticContact CD1-CD1 3.43Å; F306-F485 HydrophobicContact CD1-CD1 3.43Å; F306-F485 VanDerWaalsContact CD1-CD1 3.43Å; F306-F485 AromaticContact CD1-CE1 3.57Å; F306-F485 HydrophobicContact CD1-CE1 3.57Å; F306-F485 AromaticContact CD1-CG 4Å; F306-F485 HydrophobicContact CD1-CG 4Å; F306-F485 HydrophobicContact CD1-CZ 4.26Å; F306-F485 HydrophobicContact CD2-CB 4.28Å; F306-F485 HydrophobicContact CD2-CD1 4.35Å; F306-F485 HydrophobicContact CD2-CD2 4.46Å; F306-F485 HydrophobicContact CD2-CG 4.1Å; F306-F485 HydrophobicContact CE1-CB 4.41Å; F306-F485 AromaticContact CE1-CD1 3.47Å; F306-F485 HydrophobicContact CE1-CD1 3.47Å; F306-F485 VanDerWaalsContact CE1-CD1 3.47Å; F306-F485 HydrophobicContact CE1-CE1 4.01Å; F306-F485 HydrophobicContact CE1-CG 4.1Å; F306-F485 HydrophobicContact CE2-CB 3.98Å; F306-F485 HydrophobicContact CE2-CD1 4.39Å; F306-F485 HydrophobicContact CE2-CG 4.21Å; F306-F485 AromaticContact CG-CD1 3.88Å; F306-F485 HydrophobicContact CG-CD1 3.88Å; F306-F485 HydrophobicContact CG-CD2 4.26Å; F306-F485 HydrophobicContact CG-CE1 4.09Å; F306-F485 HydrophobicContact CG-CE2 4.47Å; F306-F485 AromaticContact CG-CG 3.98Å; F306-F485 HydrophobicContact CG-CG 3.98Å; F306-F485 HydrophobicContact CG-CZ 4.4Å; F306-F485 HydrophobicContact CZ-CB 4.03Å; F306-F485 AromaticContact CZ-CD1 3.96Å; F306-F485 HydrophobicContact CZ-CD1 3.96Å; F306-F485 HydrophobicContact CZ-CG 4.19Å
307W95.9Very high93.2Very high25 Ų2549.3 Ų49.310%0.09529%0.286CS..Hα-helixtrans-67.3-29.5-179.7-71.4114.2000113E303 V310 A311 Y415 L450 D452 P453E303-W307 VanDerWaalsContact O-CD1 3.27Å; E303-W307 PolarHBondContact O-N 3.13Å; E303-W307 VanDerWaalsContact O-N 3.09Å; W307-V310 HydrophobicContact CE3-CB 4.13Å; W307-V310 HydrophobicContact CE3-CG1 4.01Å; W307-V310 HydrophobicContact CE3-CG2 4.48Å; W307-V310 HydrophobicContact CZ3-CB 4.48Å; W307-V310 HydrophobicContact CZ3-CG1 3.95Å; W307-A311 VanDerWaalsContact O-CB 3.3Å; W307-A311 WeakPolarHBondContact O-CB 3.34Å; W307-A311 PolarHBondContact O-N 3.08Å; W307-Y415 HydrophobicContact CZ2-CD2 4.45Å; W307-Y415 AromaticContact CZ2-CE2 3.67Å; W307-Y415 HydrophobicContact CZ2-CE2 3.67Å; W307-Y415 AromaticContact CZ2-CZ 3.98Å; W307-Y415 AromaticContact NE1-CZ 3.87Å; W307-Y415 PolarHBondContact NE1-OH 3.04Å; W307-L450 HydrophobicContact CH2-CD1 4.04Å; W307-L450 HydrophobicContact CH2-CD2 3.66Å; W307-L450 HydrophobicContact CH2-CG 3.75Å; W307-L450 HydrophobicContact CZ3-CD2 3.66Å; W307-L450 HydrophobicContact CZ3-CG 3.93Å; W307-D452 HydrophobicContact CE3-CB 3.92Å; W307-D452 HydrophobicContact CH2-CB 4.37Å; W307-D452 VanDerWaalsContact CZ3-CA 3.48Å; W307-D452 HydrophobicContact CZ3-CB 3.84Å; W307-P453 HydrophobicContact CH2-CG 4.4Å; W307-P453 HydrophobicContact CZ2-CG 3.88Å
308Q94.6Very high93Very high98 Ų9850.9 Ų50.946%0.45830%0.296SS..Hα-helixtrans-63-44.6169.6-73.1178.2-10.100111.8K304 Q305 F306 A311 D312K304-Q308 WeakPolarHBondContact O-CG 3.39Å; K304-Q308 PolarHBondContact O-N 3.29Å; Q305-Q308 WeakPolarHBondContact O-CB 3.44Å; Q305-Q308 PolarHBondContact O-N 2.8Å; F306-Q308 VanDerWaalsContact C-N 3.29Å; F306-Q308 PolarHBondContact O-N 3.22Å; Q308-A311 PolarHBondContact O-N 2.83Å; Q308-D312 WeakPolarHBondContact O-CB 3.37Å; Q308-D312 PolarHBondContact O-N 3.22Å
309L95.1Very high92.9Very high10 Ų1048.7 Ų48.75%0.05228%0.28CS..Hα-helixtrans-66-39.8176.9-69.8172.1000112.7P71 Y289 Q305 F306 A311 D312 S315 V317 F388P71-L309 HydrophobicContact CB-CB 4.05Å; P71-L309 HydrophobicContact CG-CB 4.4Å; Y289-L309 HydrophobicContact CE2-CD1 4.05Å; Y289-L309 HydrophobicContact CE2-CD2 4.26Å; Q305-L309 WeakPolarHBondContact O-CG 3.42Å; Q305-L309 PolarHBondContact O-N 2.67Å; F306-L309 WeakPolarHBondContact O-CB 3.32Å; F306-L309 PolarHBondContact O-N 3.09Å; F306-L309 VanDerWaalsContact O-N 3.1Å; L309-A311 VanDerWaalsContact C-N 3.25Å; L309-A311 PolarHBondContact O-N 2.9Å; L309-D312 PolarHBondContact O-N 3.16Å; L309-S315 VanDerWaalsContact CD2-OG 3.29Å; L309-S315 WeakPolarHBondContact CD2-OG 3.28Å; L309-V317 HydrophobicContact CD1-CG1 4.27Å; L309-V317 HydrophobicContact CD2-CB 4.07Å; L309-V317 HydrophobicContact CD2-CG2 3.65Å; L309-F388 HydrophobicContact CD1-CD1 4.37Å; L309-F388 HydrophobicContact CD1-CD2 3.6Å; L309-F388 HydrophobicContact CD1-CE1 4.32Å; L309-F388 HydrophobicContact CD1-CE2 3.57Å; L309-F388 HydrophobicContact CD1-CG 4.01Å; L309-F388 HydrophobicContact CD1-CZ 3.94Å
310V92.9Very high92.9Very high1 Ų149.3 Ų49.31%0.00628%0.277CS..Hα-helixtrans-66.2-29.6176.41720000111.4P71 N75 L78 F306 W307 L450P71-V310 HydrophobicContact CB-CG2 3.89Å; N75-V310 HydrophobicContact CB-CG1 3.77Å; N75-V310 VanDerWaalsContact CB-O 3.3Å; N75-V310 WeakPolarHBondContact CB-O 3.49Å; N75-V310 PolarHBondContact ND2-O 3.41Å; L78-V310 WeakPolarHBondContact CD1-O 3.48Å; F306-V310 HydrophobicContact CD1-CG2 4.32Å; F306-V310 HydrophobicContact CD2-CG2 4.2Å; F306-V310 HydrophobicContact CE1-CG2 3.88Å; F306-V310 HydrophobicContact CE2-CG2 3.74Å; F306-V310 HydrophobicContact CG-CG2 4.48Å; F306-V310 HydrophobicContact CZ-CG2 3.58Å; F306-V310 WeakPolarHBondContact O-CG2 3.34Å; F306-V310 PolarHBondContact O-N 3.35Å; W307-V310 HydrophobicContact CE3-CB 4.13Å; W307-V310 HydrophobicContact CE3-CG1 4.01Å; W307-V310 HydrophobicContact CE3-CG2 4.48Å; W307-V310 HydrophobicContact CZ3-CB 4.48Å; W307-V310 HydrophobicContact CZ3-CG1 3.95Å; V310-L450 HydrophobicContact CG1-CD2 4.04Å; V310-L450 HydrophobicContact CG2-CD2 4.07Å
311A88.3Confident93Very high56 Ų5645 Ų4546%0.46325%0.254SS..Hα-helixtrans-88-13.6177.700000114.1W307 Q308 L309 P313W307-A311 VanDerWaalsContact O-CB 3.3Å; W307-A311 WeakPolarHBondContact O-CB 3.34Å; W307-A311 PolarHBondContact O-N 3.08Å; Q308-A311 PolarHBondContact O-N 2.83Å; L309-A311 VanDerWaalsContact C-N 3.25Å; L309-A311 PolarHBondContact O-N 2.9Å; A311-P313 VanDerWaalsContact O-CD 3.28Å; A311-P313 WeakPolarHBondContact O-CD 3.38Å
312D87Confident92.9Very high57 Ų5741 Ų4131%0.30523%0.233SC..  trans-98102.1-175.1-179.215.7000113.1Y72 Q308 L309 T314 S315Y72-D312 WeakPolarHBondContact CB-O 3.38Å; Q308-D312 WeakPolarHBondContact O-CB 3.37Å; Q308-D312 PolarHBondContact O-N 3.22Å; L309-D312 PolarHBondContact O-N 3.16Å; D312-T314 PolarHBondContact O-N 2.88Å; D312-T314 VanDerWaalsContact O-N 3.17Å; D312-T314 WeakPolarHBondContact OD1-CA 3.25Å; D312-T314 WeakPolarHBondContact OD1-CB 3.37Å; D312-T314 PolarHBondContact OD1-N 3.26Å; D312-T314 PolarHBondContact OD1-OG1 3.4Å; D312-T314 PolarHBondContact OD2-OG1 2.87Å; D312-S315 WeakPolarHBondContact O-CB 3.38Å; D312-S315 PolarHBondContact O-N 3.42Å; D312-S315 PolarHBondContact OD2-N 3.16Å
313P78.7Confident92.7Very high45 Ų4541.7 Ų41.729%0.29224%0.237SC..THydrogen-bonded Turntrans-67.2-13176.136.9-44.9000114A311A311-P313 VanDerWaalsContact O-CD 3.28Å; A311-P313 WeakPolarHBondContact O-CD 3.38Å
314T80Confident92.3Very high116 Ų11642.5 Ų42.571%0.71224%0.242SC*.THydrogen-bonded Turntrans-93.2-7.3-179.570.70000112.4D312 A316D312-T314 PolarHBondContact O-N 2.88Å; D312-T314 VanDerWaalsContact O-N 3.17Å; D312-T314 WeakPolarHBondContact OD1-CA 3.25Å; D312-T314 WeakPolarHBondContact OD1-CB 3.37Å; D312-T314 PolarHBondContact OD1-N 3.26Å; D312-T314 PolarHBondContact OD1-OG1 3.4Å; D312-T314 PolarHBondContact OD2-OG1 2.87Å; T314-A316 PolarHBondContact O-N 2.53Å
315S87Confident92.2Very high12 Ų1237 Ų378%0.08422%0.219CC..  trans-62.3125.5178.2-1790000111.1Y72 L309 D312 V317Y72-S315 WeakPolarHBondContact CE1-O 3.34Å; L309-S315 VanDerWaalsContact CD2-OG 3.29Å; L309-S315 WeakPolarHBondContact CD2-OG 3.28Å; D312-S315 WeakPolarHBondContact O-CB 3.38Å; D312-S315 PolarHBondContact O-N 3.42Å; D312-S315 PolarHBondContact OD2-N 3.16Å; S315-V317 VanDerWaalsContact C-N 3.25Å; S315-V317 WeakPolarHBondContact OG-CB 3.11Å; S315-V317 WeakPolarHBondContact OG-CG2 3.45Å; S315-V317 PolarHBondContact OG-N 2.75Å
316A88.9Confident91.9Very high94 Ų9434.9 Ų34.978%0.77721%0.211SC*.  trans-85.21.4171.700000112.6T314 T318T314-A316 PolarHBondContact O-N 2.53Å; A316-T318 PolarHBondContact O-N 2.84Å
317V94.8Very high91.7Very high28 Ų2835.3 Ų35.317%0.1721%0.213CC..  trans-66.6123.9-175.3177.50000110.1P71 F285 Y289 L309 S315 V319P71-V317 WeakPolarHBondContact CD-O 3.45Å; F285-V317 HydrophobicContact CE2-CG1 4.27Å; F285-V317 HydrophobicContact CZ-CG1 3.9Å; Y289-V317 HydrophobicContact CD2-CG2 4.48Å; Y289-V317 HydrophobicContact CE2-CG2 4Å; L309-V317 HydrophobicContact CD1-CG1 4.27Å; L309-V317 HydrophobicContact CD2-CB 4.07Å; L309-V317 HydrophobicContact CD2-CG2 3.65Å; S315-V317 VanDerWaalsContact C-N 3.25Å; S315-V317 WeakPolarHBondContact OG-CB 3.11Å; S315-V317 WeakPolarHBondContact OG-CG2 3.45Å; S315-V317 PolarHBondContact OG-N 2.75Å; V317-V319 HydrophobicContact CG1-CG1 4.1Å
318T94.3Very high91.4Very high51 Ų5138.1 Ų38.131%0.31323%0.228SC..  trans-123.6129.7172-560000108.4L68 Q69 K70 A316L68-T318 HydrophobicContact CB-CG2 4.42Å; L68-T318 HydrophobicContact CD2-CG2 4.23Å; Q69-T318 CarbonylContact O-C 3.59Å; Q69-T318 WeakPolarHBondContact O-CA 3.4Å; K70-T318 HydrophobicContact CG-CG2 4.35Å; A316-T318 PolarHBondContact O-N 2.84Å
319V96.1Very high91.1Very high0 Ų038.7 Ų38.70%024%0.235CC..EExtended strand (participates in β ladder)trans-114.6166.5178-57.70000111L68 Q69 F285 V317 M386 F388L68-V319 WeakPolarHBondContact CA-O 3.3Å; Q69-V319 HydrophobicContact CB-CG2 3.81Å; Q69-V319 HydrophobicContact CG-CG2 4.48Å; Q69-V319 PolarHBondContact N-O 3.48Å; Q69-V319 PolarHBondContact O-N 3.35Å; F285-V319 HydrophobicContact CE1-CG1 4.23Å; F285-V319 HydrophobicContact CE2-CG1 4.25Å; F285-V319 HydrophobicContact CZ-CG1 3.72Å; V317-V319 HydrophobicContact CG1-CG1 4.1Å; V319-M386 HydrophobicContact CB-CE 4.42Å; V319-M386 HydrophobicContact CB-CG 4.39Å; V319-M386 HydrophobicContact CB-SD 4.08Å; V319-M386 HydrophobicContact CG1-CE 4.42Å; V319-F388 HydrophobicContact CG1-CB 4.11Å
320R96.8Very high90.7Very high52 Ų5238.4 Ų38.420%0.19623%0.233CC..EExtended strand (participates in β ladder)trans-119140.8-179.6-74.8172.4174.575.411.7109.5P66 R67 L68 D269 F278 F281 M386P66-R320 HydrophobicContact CB-CB 3.86Å; P66-R320 HydrophobicContact CB-CG 4.38Å; P66-R320 HydrophobicContact CG-CB 4.11Å; P66-R320 HydrophobicContact CG-CG 4.17Å; R67-R320 CarbonylContact O-C 3.49Å; R67-R320 VanDerWaalsContact O-CA 3.29Å; R67-R320 WeakPolarHBondContact O-CA 3.48Å; L68-R320 HydrophobicContact CD2-CG 3.76Å; D269-R320 IonicContact OD2-CZ 2.9Å; D269-R320 IonicContact OD2-NE 3.75Å; D269-R320 PolarHBondContact OD2-NE 3.34Å; D269-R320 IonicContact OD2-NH2 3.25Å; D269-R320 PolarHBondContact OD2-NH2 3.31Å; F278-R320 HydrophobicContact CE2-CB 3.71Å; F278-R320 HydrophobicContact CZ-CB 4.05Å; F281-R320 HydrophobicContact CE1-CG 4.39Å; R320-M386 HydrophobicContact CB-SD 3.83Å; R320-M386 PolarHBondContact N-SD 3.22Å; R320-M386 WeakPolarHBondContact O-CG 3.35Å; R320-M386 VanDerWaalsContact O-SD 3.38Å
321Y97.1Very high90.5Very high6 Ų640.5 Ų40.52%0.02425%0.247CC..EExtended strand (participates in β ladder)trans-135.6113.7175.8-168.2-161.8000110.8P66 R67 S323 Y383 V384 T390 F391P66-Y321 CarbonylContact C-O 3.51Å; P66-Y321 WeakPolarHBondContact CA-O 3.45Å; R67-Y321 PolarHBondContact N-O 2.97Å; R67-Y321 PolarHBondContact O-N 3.2Å; Y321-S323 VanDerWaalsContact C-N 3.32Å; Y321-S323 PolarHBondContact O-N 3.28Å; Y321-Y383 AromaticContact CZ-CD1 3.98Å; Y321-Y383 WeakPolarHBondContact OH-CD1 3.28Å; Y321-V384 WeakPolarHBondContact CD2-O 3.29Å; Y321-T390 WeakPolarHBondContact CD1-O 3.49Å; Y321-F391 HydrophobicContact CE1-CB 4.43Å
322G95.9Very high90.7Very high0 Ų038.2 Ų38.20%023%0.228CC..EExtended strand (participates in β ladder)trans-73.990.7166.100000108.1Y383 V384G322-Y383 CarbonylContact O-C 3.23Å; G322-Y383 WeakPolarHBondContact O-CA 3.3Å; G322-V384 PolarHBondContact N-O 3.32Å; G322-V384 PolarHBondContact O-N 2.93Å
323S92.9Very high91Very high14 Ų1435.5 Ų35.510%0.09821%0.213CC..EExtended strand (participates in β ladder)trans-114.3154.7179.535.50000109.9R67 Y321 I325R67-S323 WeakPolarHBondContact CD-OG 3.21Å; Y321-S323 VanDerWaalsContact C-N 3.32Å; Y321-S323 PolarHBondContact O-N 3.28Å; S323-I325 PolarHBondContact O-N 3.27Å
324D90.3Very high91.8Very high39 Ų3933.4 Ų33.421%0.20920%0.2CC..EExtended strand (participates in β ladder)trans58.536174.7-47.9-16.5000112.9R67 S326 W381 Y383R67-D324 IonicContact CZ-OD2 2.75Å; R67-D324 IonicContact NH1-OD2 3.98Å; R67-D324 PolarHBondContact NH1-OD2 2.96Å; R67-D324 IonicContact NH2-OD2 3.31Å; R67-D324 PolarHBondContact NH2-OD2 3.09Å; D324-S326 PolarHBondContact O-N 3.29Å; D324-W381 VanDerWaalsContact CA-CE3 3.45Å; D324-W381 HydrophobicContact CB-CD2 3.84Å; D324-W381 HydrophobicContact CB-CE3 3.38Å; D324-W381 HydrophobicContact CB-CH2 3.85Å; D324-W381 HydrophobicContact CB-CZ2 4.25Å; D324-W381 HydrophobicContact CB-CZ3 3.4Å; D324-W381 VanDerWaalsContact CG-CE3 3.42Å; D324-W381 VanDerWaalsContact OD1-CZ3 3.29Å; D324-W381 WeakPolarHBondContact OD1-CZ3 3.48Å; D324-Y383 WeakPolarHBondContact OD1-CE1 3.35Å
325I93.5Very high92.4Very high17 Ų1727.9 Ų27.99%0.08717%0.166CC..EExtended strand (participates in β ladder)trans-81.9107.5179.2-54.5166.2000107.5F64 S323 T327 V330 W381 L382 V384F64-I325 HydrophobicContact CB-CD1 3.61Å; F64-I325 HydrophobicContact CB-CG1 4.04Å; F64-I325 HydrophobicContact CB-CG2 4.43Å; F64-I325 HydrophobicContact CD1-CD1 4.09Å; F64-I325 HydrophobicContact CD2-CD1 3.73Å; F64-I325 HydrophobicContact CE2-CD1 4.42Å; F64-I325 HydrophobicContact CG-CD1 3.54Å; F64-I325 HydrophobicContact CG-CG1 4.47Å; S323-I325 PolarHBondContact O-N 3.27Å; I325-T327 PolarHBondContact O-N 2.68Å; I325-V330 HydrophobicContact CG2-CB 4.32Å; I325-V330 HydrophobicContact CG2-CG1 3.75Å; I325-V330 HydrophobicContact CG2-CG2 3.56Å; I325-W381 WeakPolarHBondContact O-CA 3.28Å; I325-L382 HydrophobicContact CB-CB 4.21Å; I325-L382 WeakPolarHBondContact CB-O 3.28Å; I325-L382 PolarHBondContact N-O 2.88Å; I325-L382 PolarHBondContact O-N 3.43Å; I325-V384 HydrophobicContact CD1-CG2 4.07Å
326S92.4Very high92.6Very high11 Ų1128.6 Ų28.68%0.07717%0.17CC..EExtended strand (participates in β ladder)trans-61.7130.7-179.3-177.70000111.8D324 M328 D329 V330D324-S326 PolarHBondContact O-N 3.29Å; S326-M328 PolarHBondContact O-N 2.69Å; S326-M328 WeakPolarHBondContact OG-CB 3.36Å; S326-M328 PolarHBondContact OG-N 3.48Å; S326-D329 PolarHBondContact O-N 3.21Å; S326-V330 PolarHBondContact O-N 3.05Å
327T92.9Very high92.6Very high9 Ų931.3 Ų31.36%0.05516%0.16CC..Hα-helixtrans-65.9-12.7172.854.40000113I325 D329 C331 P380 L382I325-T327 PolarHBondContact O-N 2.68Å; T327-D329 VanDerWaalsContact C-N 3.33Å; T327-C331 CarbonylContact O-C 3.59Å; T327-C331 WeakPolarHBondContact O-CA 3.13Å; T327-C331 PolarHBondContact O-N 3.09Å; T327-P380 WeakPolarHBondContact CB-O 3.33Å; T327-P380 HydrophobicContact CG2-CB 4.07Å; T327-P380 WeakPolarHBondContact CG2-O 3.38Å; T327-P380 PolarHBondContact N-O 2.83Å; T327-P380 PolarHBondContact OG1-O 2.77Å; T327-L382 HydrophobicContact CG2-CD1 4.06Å; T327-L382 HydrophobicContact CG2-CG 3.97Å
328M89.4Confident92.2Very high84 Ų8435.1 Ų35.141%0.41419%0.188SC..Hα-helixtrans-69-34.5169.6-62.8-57.4-63.700111.9R61 S326 Q373 V379R61-M328 PolarHBondContact NH2-O 2.93Å; S326-M328 PolarHBondContact O-N 2.69Å; S326-M328 WeakPolarHBondContact OG-CB 3.36Å; S326-M328 PolarHBondContact OG-N 3.48Å; M328-Q373 PolarHBondContact SD-OE1 3.49Å; M328-Q373 VanDerWaalsContact SD-OE1 3.36Å; M328-V379 HydrophobicContact CG-CG1 3.7Å; M328-V379 HydrophobicContact SD-CG1 4.37Å
329D87.8Confident91.7Very high111 Ų11134.1 Ų34.159%0.59418%0.183SC*.Hα-helixtrans-81.3-48.6-176.5-58.9-28.1000111R61 S326 T327R61-D329 PolarHBondContact NE-O 3.43Å; R61-D329 PolarHBondContact NH2-O 3.12Å; S326-D329 PolarHBondContact O-N 3.21Å; T327-D329 VanDerWaalsContact C-N 3.33Å
330V88.5Confident91.1Very high4 Ų440.2 Ų40.22%0.02422%0.222CC..Hα-helixtrans-109.21-170.9-55.10000115.4F62 I325 S326 L382F62-V330 HydrophobicContact CD2-CB 3.97Å; F62-V330 HydrophobicContact CD2-CG2 4.01Å; F62-V330 HydrophobicContact CE2-CB 4.45Å; F62-V330 HydrophobicContact CE2-CG2 3.99Å; F62-V330 HydrophobicContact CG-CB 4.27Å; I325-V330 HydrophobicContact CG2-CB 4.32Å; I325-V330 HydrophobicContact CG2-CG1 3.75Å; I325-V330 HydrophobicContact CG2-CG2 3.56Å; S326-V330 PolarHBondContact O-N 3.05Å; V330-L382 HydrophobicContact CG2-CD1 3.62Å
331C88.4Confident90.5Very high44 Ų4441.6 Ų41.630%0.29725%0.253SS..  trans72157.4-166-560000113.9R61 T327 L382R61-C331 VanDerWaalsContact CZ-SG 3.57Å; R61-C331 PolarHBondContact NH1-SG 2.73Å; T327-C331 CarbonylContact O-C 3.59Å; T327-C331 WeakPolarHBondContact O-CA 3.13Å; T327-C331 PolarHBondContact O-N 3.09Å; C331-L382 VanDerWaalsContact O-CD1 3.28Å; C331-L382 WeakPolarHBondContact O-CD1 3.41Å
332S92.2Very high90Very high8 Ų842.5 Ų42.56%0.05626%0.258CS..  trans-65.4151.8169.7174.10000110.8V56 F334 E493V56-S332 VanDerWaalsContact O-O 3.13Å; S332-F334 PolarHBondContact OG-N 2.96Å; S332-E493 WeakPolarHBondContact CB-OE1 3.31Å; S332-E493 VanDerWaalsContact OG-CD 3.23Å; S332-E493 PolarHBondContact OG-OE1 2.83Å; S332-E493 PolarHBondContact OG-OE2 3.22Å; S332-E493 VanDerWaalsContact OG-OE2 3.08Å
333G93.4Very high89.6Confident0 Ų044.7 Ų44.70%027%0.273CS..SBendtrans-72.9-19169.800000112.5F55 V56 H407 E493F55-G333 CarbonylContact C-O 3.49Å; F55-G333 WeakPolarHBondContact CA-O 3.19Å; V56-G333 PolarHBondContact N-O 2.7Å; G333-H407 VanDerWaalsContact C-CE1 3.46Å; G333-E493 WeakPolarHBondContact CA-OE2 3.14Å; G333-E493 PolarHBondContact N-OE2 3.38Å
334F95.2Very high89.4Confident1 Ų151.2 Ų51.20%0.00430%0.3CS..SBendtrans-81.4148.2170.7-68.4-85.8000111.5W51 P53 S332 T336 N355 L356 Y405 H407 E493W51-F334 HydrophobicContact CH2-CE1 4.47Å; W51-F334 HydrophobicContact CZ2-CD1 4.43Å; W51-F334 AromaticContact CZ2-CE1 3.72Å; W51-F334 HydrophobicContact CZ2-CE1 3.72Å; P53-F334 HydrophobicContact CB-CD1 3.82Å; P53-F334 HydrophobicContact CB-CE1 3.83Å; P53-F334 HydrophobicContact CG-CD1 4.31Å; P53-F334 HydrophobicContact CG-CE1 3.8Å; S332-F334 PolarHBondContact OG-N 2.96Å; F334-T336 PolarHBondContact O-N 3.05Å; F334-N355 WeakPolarHBondContact CB-ND2 3.26Å; F334-N355 WeakPolarHBondContact CB-OD1 3.29Å; F334-L356 HydrophobicContact CD2-CB 4.35Å; F334-L356 HydrophobicContact CE2-CB 3.92Å; F334-L356 HydrophobicContact CE2-CD1 4.09Å; F334-L356 HydrophobicContact CE2-CG 3.69Å; F334-L356 HydrophobicContact CZ-CG 4.14Å; F334-Y405 AromaticContact CE1-CD1 4Å; F334-Y405 HydrophobicContact CE1-CD1 4Å; F334-Y405 HydrophobicContact CE1-CE1 4.1Å; F334-Y405 HydrophobicContact CE1-CG 4.49Å; F334-Y405 HydrophobicContact CE2-CD1 4.03Å; F334-Y405 HydrophobicContact CE2-CG 4.4Å; F334-Y405 AromaticContact CZ-CD1 3.33Å; F334-Y405 HydrophobicContact CZ-CD1 3.33Å; F334-Y405 HydrophobicContact CZ-CD2 4.45Å; F334-Y405 AromaticContact CZ-CE1 3.91Å; F334-Y405 HydrophobicContact CZ-CE1 3.91Å; F334-Y405 AromaticContact CZ-CG 3.64Å; F334-Y405 HydrophobicContact CZ-CG 3.64Å; F334-H407 AromaticContact CD2-CE1 3.46Å; F334-H407 VanDerWaalsContact CD2-CE1 3.46Å; F334-H407 WeakPolarHBondContact CD2-CE1 3.49Å; F334-H407 AromaticContact CD2-NE2 3.74Å; F334-H407 AromaticContact CE1-CE1 3.98Å; F334-H407 AromaticContact CE2-CE1 3.41Å; F334-H407 VanDerWaalsContact CE2-CE1 3.41Å; F334-H407 WeakPolarHBondContact CE2-CE1 3.23Å; F334-H407 AromaticContact CE2-NE2 3.62Å; F334-H407 AromaticContact CG-CE1 3.76Å; F334-H407 AromaticContact CZ-CE1 3.7Å; F334-E493 WeakPolarHBondContact CD2-OE2 3.42Å; F334-E493 HydrophobicContact CE2-CB 4.42Å
335P92.8Very high89.2Confident0 Ų055.6 Ų55.60%032%0.32CS..  trans-54.1137.7161.2-19.229.9000110.2H54 V56 L342 E346 C349 A350 N355H54-P335 WeakPolarHBondContact O-CD 3.32Å; V56-P335 HydrophobicContact CG2-CB 4.31Å; V56-P335 HydrophobicContact CG2-CG 3.77Å; P335-L342 HydrophobicContact CB-CD2 3.98Å; P335-E346 HydrophobicContact CB-CB 4.14Å; P335-E346 HydrophobicContact CG-CB 4.05Å; P335-E346 HydrophobicContact CG-CG 4.2Å; P335-C349 HydrophobicContact CG-CB 4.35Å; P335-A350 HydrophobicContact CB-CB 4.18Å; P335-A350 WeakPolarHBondContact O-CA 3.36Å; P335-N355 PolarHBondContact O-ND2 3.04Å
336T91.5Very high89.1Confident28 Ų2856.9 Ų56.917%0.17233%0.325CS..  trans-116159179.368.90000110.8F334 S338 S339 K357F334-T336 PolarHBondContact O-N 3.05Å; T336-S338 PolarHBondContact O-N 3.17Å; T336-S338 VanDerWaalsContact O-N 3.11Å; T336-S338 PolarHBondContact OG1-OG 2.83Å; T336-S339 PolarHBondContact N-OG 3.39Å; T336-S339 VanDerWaalsContact N-OG 3.1Å; T336-S339 WeakPolarHBondContact O-CB 3.39Å; T336-S339 PolarHBondContact O-N 3.16Å; T336-S339 PolarHBondContact O-OG 2.9Å; T336-S339 PolarHBondContact OG1-OG 3.28Å; T336-K357 HydrophobicContact CG2-CG 4.34Å
337R89.1Confident89.1Confident151 Ų15161.6 Ų61.657%0.5734%0.344SS*.THydrogen-bonded Turntrans-57.6-29-179-60.5179.8-175.5179.3-1113.7F351R337-F351 HydrophobicContact CB-CE1 4.47Å; R337-F351 HydrophobicContact CB-CZ 4.41Å; R337-F351 HydrophobicContact CG-CD1 4.07Å; R337-F351 HydrophobicContact CG-CE1 3.85Å; R337-F351 HydrophobicContact CG-CZ 4.15Å
338S85.8Confident89Confident108 Ų10866.1 Ų66.176%0.75537%0.367SS*.THydrogen-bonded Turntrans-88.2-3.8178.349.30000114T336T336-S338 PolarHBondContact O-N 3.17Å; T336-S338 VanDerWaalsContact O-N 3.11Å; T336-S338 PolarHBondContact OG1-OG 2.83Å
339S83.8Confident89.1Confident30 Ų3062.5 Ų62.521%0.2135%0.35CS..  trans-66.5126.8179.4-65.80000110.1T336 L342T336-S339 PolarHBondContact N-OG 3.39Å; T336-S339 VanDerWaalsContact N-OG 3.1Å; T336-S339 WeakPolarHBondContact O-CB 3.39Å; T336-S339 PolarHBondContact O-N 3.16Å; T336-S339 PolarHBondContact O-OG 2.9Å; T336-S339 PolarHBondContact OG1-OG 3.28Å; S339-L342 VanDerWaalsContact CB-CD2 3.48Å; S339-L342 WeakPolarHBondContact O-CG 3.42Å
340P82.4Confident89.4Confident127 Ų12757.2 Ų57.283%0.82532%0.322SS*.THydrogen-bonded Turntrans-73.9147.2177.530-34.2000111.2L342P340-L342 PolarHBondContact O-N 2.82Å
341G85.7Confident89.7Confident82 Ų8262.7 Ų62.785%0.84535%0.345SS*.THydrogen-bonded Turntrans72.521.8168.600000116.3S343G341-S343 PolarHBondContact O-N 2.86Å
342L85.5Confident90Very high24 Ų2461.4 Ų61.413%0.12634%0.337CS..  trans-58.8134.1-179.3-64.4-177.5000113P335 S339 P340 E346 K347 A350P335-L342 HydrophobicContact CB-CD2 3.98Å; S339-L342 VanDerWaalsContact CB-CD2 3.48Å; S339-L342 WeakPolarHBondContact O-CG 3.42Å; P340-L342 PolarHBondContact O-N 2.82Å; L342-E346 WeakPolarHBondContact CA-OE2 3.37Å; L342-E346 HydrophobicContact CB-CB 4.11Å; L342-E346 HydrophobicContact CD2-CB 3.94Å; L342-E346 HydrophobicContact CG-CB 4.5Å; L342-K347 HydrophobicContact CB-CG 3.7Å; L342-K347 HydrophobicContact CD1-CG 4.1Å; L342-K347 WeakPolarHBondContact O-CE 3.45Å; L342-A350 HydrophobicContact CD1-CB 3.78Å
343S88.7Confident90.2Very high46 Ų4662.8 Ų62.832%0.32235%0.346SS..  trans-61.6168166.196.50000111.5G341 E345 E346 K347G341-S343 PolarHBondContact O-N 2.86Å; S343-E345 VanDerWaalsContact C-N 3.32Å; S343-E345 PolarHBondContact O-N 3.3Å; S343-E345 PolarHBondContact OG-N 3.27Å; S343-E345 PolarHBondContact OG-OE2 3.32Å; S343-E346 PolarHBondContact N-OE2 3.27Å; S343-E346 PolarHBondContact O-N 3.37Å; S343-E346 WeakPolarHBondContact OG-CG 3.3Å; S343-E346 PolarHBondContact OG-N 2.84Å; S343-E346 VanDerWaalsContact OG-N 3.12Å; S343-K347 WeakPolarHBondContact O-CG 3.21Å; S343-K347 PolarHBondContact O-N 3.24Å
344F88Confident90.4Very high152 Ų15262.9 Ų62.967%0.66735%0.346SS*.Hα-helixtrans-59.5-43.9175.7178.9-102.6000111.8K347 I348F344-K347 WeakPolarHBondContact O-CB 3.46Å; F344-K347 PolarHBondContact O-N 2.99Å; F344-I348 HydrophobicContact CD1-CD1 4.11Å; F344-I348 HydrophobicContact CE1-CD1 3.65Å; F344-I348 HydrophobicContact CZ-CD1 4.08Å; F344-I348 PolarHBondContact O-N 2.65Å
345E87.1Confident90.5Very high131 Ų13162.8 Ų62.861%0.61235%0.346SS*.Hα-helixtrans-66.5-41.5177.7-5874.9-16200111.8S343 K347 I348 C349S343-E345 VanDerWaalsContact C-N 3.32Å; S343-E345 PolarHBondContact O-N 3.3Å; S343-E345 PolarHBondContact OG-N 3.27Å; S343-E345 PolarHBondContact OG-OE2 3.32Å; E345-K347 VanDerWaalsContact C-N 3.3Å; E345-K347 PolarHBondContact O-N 2.83Å; E345-I348 PolarHBondContact O-N 2.63Å; E345-C349 PolarHBondContact O-N 2.82Å; E345-C349 VanDerWaalsContact O-N 3.17Å
346E90.4Very high90.7Very high44 Ų4462.8 Ų62.821%0.20635%0.346CS..Hα-helixtrans-66.4-34.2177.6-66.9175.1146.800111.8P335 L342 S343 C349 A350P335-E346 HydrophobicContact CB-CB 4.14Å; P335-E346 HydrophobicContact CG-CB 4.05Å; P335-E346 HydrophobicContact CG-CG 4.2Å; L342-E346 WeakPolarHBondContact CA-OE2 3.37Å; L342-E346 HydrophobicContact CB-CB 4.11Å; L342-E346 HydrophobicContact CD2-CB 3.94Å; L342-E346 HydrophobicContact CG-CB 4.5Å; S343-E346 PolarHBondContact N-OE2 3.27Å; S343-E346 PolarHBondContact O-N 3.37Å; S343-E346 WeakPolarHBondContact OG-CG 3.3Å; S343-E346 PolarHBondContact OG-N 2.84Å; S343-E346 VanDerWaalsContact OG-N 3.12Å; E346-C349 PolarHBondContact O-N 3.17Å; E346-A350 WeakPolarHBondContact O-CB 3.49Å; E346-A350 PolarHBondContact O-N 2.86Å
347K91.6Very high90.9Very high110 Ų11063.9 Ų63.948%0.47835%0.348SS..Hα-helixtrans-60.6-48.4171.3-74.6174.7-176.11770110.7L342 S343 F344 E345 C349 A350 F351L342-K347 HydrophobicContact CB-CG 3.7Å; L342-K347 HydrophobicContact CD1-CG 4.1Å; L342-K347 WeakPolarHBondContact O-CE 3.45Å; S343-K347 WeakPolarHBondContact O-CG 3.21Å; S343-K347 PolarHBondContact O-N 3.24Å; F344-K347 WeakPolarHBondContact O-CB 3.46Å; F344-K347 PolarHBondContact O-N 2.99Å; E345-K347 VanDerWaalsContact C-N 3.3Å; E345-K347 PolarHBondContact O-N 2.83Å; K347-C349 PolarHBondContact O-N 3.28Å; K347-A350 PolarHBondContact O-N 3.48Å; K347-F351 WeakPolarHBondContact O-CD2 3.47Å; K347-F351 PolarHBondContact O-N 3.43Å
348I91.3Very high91.2Very high104 Ų10457.7 Ų57.753%0.53333%0.326SS..Hα-helixtrans-54.2-44.1177.8-66.4168.6000110.7F344 E345 S352F344-I348 HydrophobicContact CD1-CD1 4.11Å; F344-I348 HydrophobicContact CE1-CD1 3.65Å; F344-I348 HydrophobicContact CZ-CD1 4.08Å; F344-I348 PolarHBondContact O-N 2.65Å; E345-I348 PolarHBondContact O-N 2.63Å; I348-S352 PolarHBondContact O-N 3.37Å; I348-S352 VanDerWaalsContact O-N 3.1Å
349C92.3Very high91.7Very high8 Ų852.5 Ų52.55%0.05429%0.29CS..Hα-helixtrans-66.8-43.5176-1780000113.3P53 P335 E345 E346 K347 F351 S352 N355P53-C349 WeakPolarHBondContact CB-SG 3.23Å; P335-C349 HydrophobicContact CG-CB 4.35Å; E345-C349 PolarHBondContact O-N 2.82Å; E345-C349 VanDerWaalsContact O-N 3.17Å; E346-C349 PolarHBondContact O-N 3.17Å; K347-C349 PolarHBondContact O-N 3.28Å; C349-F351 PolarHBondContact O-N 2.96Å; C349-S352 WeakPolarHBondContact O-CB 3.27Å; C349-S352 PolarHBondContact O-N 3.18Å; C349-S352 VanDerWaalsContact O-N 3.11Å; C349-N355 WeakPolarHBondContact O-CB 3.37Å; C349-N355 PolarHBondContact O-ND2 3.38Å; C349-N355 VanDerWaalsContact O-ND2 3.15Å
350A94.3Very high92.3Very high0 Ų051.1 Ų51.10%028%0.28CS..Hα-helixtrans-60.3-32.5-179.800000113.1P335 L342 E346 K347 N358P335-A350 HydrophobicContact CB-CB 4.18Å; P335-A350 WeakPolarHBondContact O-CA 3.36Å; L342-A350 HydrophobicContact CD1-CB 3.78Å; E346-A350 WeakPolarHBondContact O-CB 3.49Å; E346-A350 PolarHBondContact O-N 2.86Å; K347-A350 PolarHBondContact O-N 3.48Å; A350-N358 PolarHBondContact O-ND2 3.49Å
351F94Very high92.9Very high118 Ų11849 Ų4952%0.51827%0.268SS..Hα-helixtrans-93.7-8.9177.7-70.4-83.4000113.8R337 K347 C349R337-F351 HydrophobicContact CB-CE1 4.47Å; R337-F351 HydrophobicContact CB-CZ 4.41Å; R337-F351 HydrophobicContact CG-CD1 4.07Å; R337-F351 HydrophobicContact CG-CE1 3.85Å; R337-F351 HydrophobicContact CG-CZ 4.15Å; K347-F351 WeakPolarHBondContact O-CD2 3.47Å; K347-F351 PolarHBondContact O-N 3.43Å; C349-F351 PolarHBondContact O-N 2.96Å
352S95.5Very high93.4Very high17 Ų1746.4 Ų46.412%0.11924%0.235CC..  trans-63.7140.3-179178.10000112.1W51 I348 C349 W354 N355 N358W51-S352 WeakPolarHBondContact CH2-OG 3.3Å; W51-S352 VanDerWaalsContact CZ3-CB 3.47Å; W51-S352 WeakPolarHBondContact CZ3-OG 3.43Å; I348-S352 PolarHBondContact O-N 3.37Å; I348-S352 VanDerWaalsContact O-N 3.1Å; C349-S352 WeakPolarHBondContact O-CB 3.27Å; C349-S352 PolarHBondContact O-N 3.18Å; C349-S352 VanDerWaalsContact O-N 3.11Å; S352-W354 PolarHBondContact O-N 2.89Å; S352-W354 PolarHBondContact OG-N 3.32Å; S352-W354 VanDerWaalsContact OG-N 3.12Å; S352-N355 VanDerWaalsContact O-CB 3.26Å; S352-N355 WeakPolarHBondContact O-CB 3.48Å; S352-N355 PolarHBondContact O-N 3.41Å; S352-N358 PolarHBondContact O-ND2 3.33Å
353P96.7Very high93.8Very high38 Ų3849.7 Ų49.725%0.24726%0.258CS..THydrogen-bonded Turntrans-67.9-20.7171.230.1-35.4000112.5R24 P26 N355 M359 L362R24-P353 WeakPolarHBondContact O-CG 3.41Å; P26-P353 HydrophobicContact CG-CB 3.79Å; P26-P353 HydrophobicContact CG-CG 4.37Å; P353-N355 VanDerWaalsContact C-N 3.26Å; P353-N355 PolarHBondContact O-N 3.49Å; P353-M359 WeakPolarHBondContact O-CE 3.36Å; P353-L362 HydrophobicContact CB-CD1 3.73Å; P353-L362 HydrophobicContact CB-CD2 3.85Å; P353-L362 HydrophobicContact CB-CG 4.46Å
354W97.1Very high94.1Very high1 Ų148.3 Ų48.30%0.00425%0.25CS..THydrogen-bonded Turntrans-79.1-5.1174.7-75.886000114.5F23 P26 Y29 V45 W51 S352 L356 M359 I403 F473F23-W354 AromaticContact CD1-CD1 3.86Å; F23-W354 HydrophobicContact CD1-CG 4.39Å; F23-W354 AromaticContact CD1-NE1 3.86Å; F23-W354 AromaticContact CD2-CD2 3.85Å; F23-W354 HydrophobicContact CD2-CD2 3.85Å; F23-W354 AromaticContact CD2-CE2 3.29Å; F23-W354 HydrophobicContact CD2-CE3 4.41Å; F23-W354 HydrophobicContact CD2-CG 4.36Å; F23-W354 HydrophobicContact CD2-CH2 4.01Å; F23-W354 AromaticContact CD2-CZ2 3.39Å; F23-W354 HydrophobicContact CD2-CZ2 3.39Å; F23-W354 HydrophobicContact CD2-CZ3 4.48Å; F23-W354 AromaticContact CD2-NE1 3.54Å; F23-W354 HydrophobicContact CE1-CB 4.3Å; F23-W354 AromaticContact CE1-CD1 3.72Å; F23-W354 HydrophobicContact CE1-CD2 4.25Å; F23-W354 AromaticContact CE1-CG 3.83Å; F23-W354 HydrophobicContact CE1-CG 3.83Å; F23-W354 AromaticContact CE2-CD2 3.31Å; F23-W354 HydrophobicContact CE2-CD2 3.31Å; F23-W354 AromaticContact CE2-CE2 3.29Å; F23-W354 AromaticContact CE2-CE3 3.63Å; F23-W354 HydrophobicContact CE2-CE3 3.63Å; F23-W354 AromaticContact CE2-CG 3.81Å; F23-W354 HydrophobicContact CE2-CG 3.81Å; F23-W354 AromaticContact CE2-CH2 3.89Å; F23-W354 HydrophobicContact CE2-CH2 3.89Å; F23-W354 AromaticContact CE2-CZ2 3.61Å; F23-W354 HydrophobicContact CE2-CZ2 3.61Å; F23-W354 AromaticContact CE2-CZ3 3.9Å; F23-W354 HydrophobicContact CE2-CZ3 3.9Å; F23-W354 AromaticContact CE2-NE1 3.76Å; F23-W354 AromaticContact CG-CE2 3.88Å; F23-W354 HydrophobicContact CG-CZ2 4.24Å; F23-W354 AromaticContact CG-NE1 3.6Å; F23-W354 HydrophobicContact CZ-CB 4.01Å; F23-W354 AromaticContact CZ-CD1 3.81Å; F23-W354 AromaticContact CZ-CD2 3.54Å; F23-W354 HydrophobicContact CZ-CD2 3.54Å; F23-W354 AromaticContact CZ-CE2 3.87Å; F23-W354 HydrophobicContact CZ-CE3 4.03Å; F23-W354 AromaticContact CZ-CG 3.51Å; F23-W354 HydrophobicContact CZ-CG 3.51Å; F23-W354 PolarHBondContact O-NE1 3.03Å; P26-W354 HydrophobicContact CB-CD2 3.91Å; P26-W354 HydrophobicContact CB-CE3 4.39Å; P26-W354 HydrophobicContact CB-CG 4.31Å; P26-W354 HydrophobicContact CB-CH2 4.44Å; P26-W354 HydrophobicContact CB-CZ2 3.94Å; Y29-W354 AromaticContact CD1-CH2 3.73Å; Y29-W354 HydrophobicContact CD1-CH2 3.73Å; Y29-W354 HydrophobicContact CD1-CZ2 4.03Å; Y29-W354 HydrophobicContact CE1-CH2 4.13Å; Y29-W354 HydrophobicContact CG-CZ2 4.46Å; V45-W354 HydrophobicContact CG1-CH2 4.19Å; V45-W354 HydrophobicContact CG1-CZ3 4.41Å; W51-W354 HydrophobicContact CH2-CB 3.79Å; W51-W354 HydrophobicContact CZ2-CB 3.85Å; W51-W354 HydrophobicContact CZ3-CB 4.23Å; S352-W354 PolarHBondContact O-N 2.89Å; S352-W354 PolarHBondContact OG-N 3.32Å; S352-W354 VanDerWaalsContact OG-N 3.12Å; W354-L356 PolarHBondContact O-N 3.06Å; W354-M359 HydrophobicContact CD2-CE 4.45Å; W354-M359 HydrophobicContact CE3-CE 4.21Å; W354-I403 HydrophobicContact CZ3-CD1 4.24Å; W354-F473 HydrophobicContact CB-CZ 4.42Å; W354-F473 HydrophobicContact CE3-CD1 4.37Å; W354-F473 HydrophobicContact CE3-CD2 4.15Å; W354-F473 AromaticContact CE3-CE1 3.99Å; W354-F473 HydrophobicContact CE3-CE1 3.99Å; W354-F473 AromaticContact CE3-CE2 3.76Å; W354-F473 HydrophobicContact CE3-CE2 3.76Å; W354-F473 HydrophobicContact CE3-CG 4.45Å; W354-F473 AromaticContact CE3-CZ 3.67Å; W354-F473 HydrophobicContact CE3-CZ 3.67Å; W354-F473 HydrophobicContact CZ3-CD1 4.49Å; W354-F473 HydrophobicContact CZ3-CD2 4.08Å; W354-F473 HydrophobicContact CZ3-CE2 4.15Å; W354-F473 HydrophobicContact CZ3-CG 4.26Å; W354-F473 HydrophobicContact CZ3-CZ 4.38Å
355N97Very high94.5Very high0 Ų041 Ų410%022%0.219CC..SBendtrans-70.3119.9168.1-173.9-38.1000108.7F334 P335 C349 S352 P353 K357 N358 M359F334-N355 WeakPolarHBondContact CB-ND2 3.26Å; F334-N355 WeakPolarHBondContact CB-OD1 3.29Å; P335-N355 PolarHBondContact O-ND2 3.04Å; C349-N355 WeakPolarHBondContact O-CB 3.37Å; C349-N355 PolarHBondContact O-ND2 3.38Å; C349-N355 VanDerWaalsContact O-ND2 3.15Å; S352-N355 VanDerWaalsContact O-CB 3.26Å; S352-N355 WeakPolarHBondContact O-CB 3.48Å; S352-N355 PolarHBondContact O-N 3.41Å; P353-N355 VanDerWaalsContact C-N 3.26Å; P353-N355 PolarHBondContact O-N 3.49Å; N355-K357 PolarHBondContact O-N 2.68Å; N355-K357 WeakPolarHBondContact OD1-CB 3.41Å; N355-K357 PolarHBondContact OD1-N 2.8Å; N355-N358 HydrophobicContact CB-CB 4.43Å; N355-N358 WeakPolarHBondContact O-CB 3.27Å; N355-N358 PolarHBondContact O-N 3.38Å; N355-M359 PolarHBondContact O-N 3.4Å; N355-M359 VanDerWaalsContact O-N 3.13Å
356L97.3Very high95Very high0 Ų034.8 Ų34.80%019%0.19CC..THydrogen-bonded Turntrans-62.3-21-174.2-61.7-169.5000113.2F334 W354 N358 M359 P360 P380 I403 F473 E493 V495F334-L356 HydrophobicContact CD2-CB 4.35Å; F334-L356 HydrophobicContact CE2-CB 3.92Å; F334-L356 HydrophobicContact CE2-CD1 4.09Å; F334-L356 HydrophobicContact CE2-CG 3.69Å; F334-L356 HydrophobicContact CZ-CG 4.14Å; W354-L356 PolarHBondContact O-N 3.06Å; L356-N358 VanDerWaalsContact C-N 3.3Å; L356-N358 PolarHBondContact O-N 3.37Å; L356-M359 HydrophobicContact CD2-CE 4.01Å; L356-M359 HydrophobicContact CD2-SD 4.3Å; L356-P360 VanDerWaalsContact O-CD 3.26Å; L356-P360 WeakPolarHBondContact O-CD 3.5Å; L356-P380 HydrophobicContact CB-CG 4.44Å; L356-P380 WeakPolarHBondContact O-CG 3.28Å; L356-I403 HydrophobicContact CD2-CD1 4.27Å; L356-I403 HydrophobicContact CD2-CG1 4.25Å; L356-I403 HydrophobicContact CD2-CG2 3.62Å; L356-F473 HydrophobicContact CD2-CE1 4.1Å; L356-E493 HydrophobicContact CD1-CB 4.27Å; L356-E493 HydrophobicContact CD1-CG 4.29Å; L356-E493 WeakPolarHBondContact CD1-O 3.31Å; L356-V495 HydrophobicContact CB-CG1 4.11Å; L356-V495 HydrophobicContact CD2-CG1 4.42Å
357K95Very high95.2Very high51 Ų5132.8 Ų32.822%0.22218%0.18CC..THydrogen-bonded Turntrans-70.2-26.9172.4-17355.4179.7173.60113.3T336 N355 P380T336-K357 HydrophobicContact CG2-CG 4.34Å; N355-K357 PolarHBondContact O-N 2.68Å; N355-K357 WeakPolarHBondContact OD1-CB 3.41Å; N355-K357 PolarHBondContact OD1-N 2.8Å; K357-P380 HydrophobicContact CD-CG 4.37Å
358N95.9Very high95.4Very high20 Ų2029.6 Ų29.611%0.10717%0.171CC..THydrogen-bonded Turntrans-90.8-32.6179.9-63.4-28.7000112.1A350 S352 N355 L356 S361 L362A350-N358 PolarHBondContact O-ND2 3.49Å; S352-N358 PolarHBondContact O-ND2 3.33Å; N355-N358 HydrophobicContact CB-CB 4.43Å; N355-N358 WeakPolarHBondContact O-CB 3.27Å; N355-N358 PolarHBondContact O-N 3.38Å; L356-N358 VanDerWaalsContact C-N 3.3Å; L356-N358 PolarHBondContact O-N 3.37Å; N358-S361 PolarHBondContact O-N 3.49Å; N358-S361 VanDerWaalsContact O-N 3.09Å; N358-L362 PolarHBondContact O-N 3.4Å
359M96.2Very high95.6Very high0 Ų025.8 Ų25.80%015%0.151CC..G310 helixtrans-56.1-44.7-166.3-163.3171.8-67.200115.1P26 I27 I30 P353 W354 N355 L356 S361 L362 I403 V497P26-M359 HydrophobicContact CB-CE 3.57Å; P26-M359 HydrophobicContact CB-SD 4.19Å; P26-M359 HydrophobicContact CG-CE 3.88Å; P26-M359 HydrophobicContact CG-CG 4.48Å; I27-M359 HydrophobicContact CD1-CG 4.08Å; I30-M359 HydrophobicContact CD1-SD 4.08Å; P353-M359 WeakPolarHBondContact O-CE 3.36Å; W354-M359 HydrophobicContact CD2-CE 4.45Å; W354-M359 HydrophobicContact CE3-CE 4.21Å; N355-M359 PolarHBondContact O-N 3.4Å; N355-M359 VanDerWaalsContact O-N 3.13Å; L356-M359 HydrophobicContact CD2-CE 4.01Å; L356-M359 HydrophobicContact CD2-SD 4.3Å; M359-S361 PolarHBondContact O-N 3.03Å; M359-L362 HydrophobicContact CB-CD1 4.45Å; M359-L362 HydrophobicContact CG-CD1 4.09Å; M359-L362 WeakPolarHBondContact O-CB 3.34Å; M359-L362 WeakPolarHBondContact O-CG 3.39Å; M359-L362 PolarHBondContact O-N 2.81Å; M359-I403 HydrophobicContact CE-CD1 4.04Å; M359-I403 HydrophobicContact SD-CD1 3.94Å; M359-I403 HydrophobicContact SD-CG2 3.8Å; M359-V497 HydrophobicContact CB-CG2 4.39Å; M359-V497 HydrophobicContact CG-CG1 4.28Å; M359-V497 HydrophobicContact CG-CG2 3.71Å; M359-V497 HydrophobicContact SD-CG2 3.66Å
360P95.9Very high95.6Very high0 Ų026.5 Ų26.50%015%0.154CC..G310 helixtrans-63.2-30179.4-22.333.5000113.4L356 S365 L367 S368 N378 V495L356-P360 VanDerWaalsContact O-CD 3.26Å; L356-P360 WeakPolarHBondContact O-CD 3.5Å; P360-S365 WeakPolarHBondContact O-CB 3.22Å; P360-S365 PolarHBondContact O-OG 3.35Å; P360-S365 VanDerWaalsContact O-OG 3.11Å; P360-L367 HydrophobicContact CB-CB 4.31Å; P360-L367 HydrophobicContact CB-CD1 4.27Å; P360-L367 CarbonylContact O-C 3.59Å; P360-S368 PolarHBondContact O-N 3.45Å; P360-S368 VanDerWaalsContact O-N 3.12Å; P360-N378 HydrophobicContact CB-CB 3.9Å; P360-V495 HydrophobicContact CG-CB 4.31Å; P360-V495 HydrophobicContact CG-CG1 3.95Å; P360-V495 HydrophobicContact CG-CG2 3.39Å
361S95.1Very high95.2Very high82 Ų8231.9 Ų31.957%0.57318%0.183SC*.G310 helixtrans-90.35-179-53.80000113.8N358 M359N358-S361 PolarHBondContact O-N 3.49Å; N358-S361 VanDerWaalsContact O-N 3.09Å; M359-S361 PolarHBondContact O-N 3.03Å
362L96.2Very high94.8Very high29 Ų2929 Ų2915%0.15219%0.187CC..SBendtrans-67.5143.9175.6-67.8174.4000110.4P26 I27 P353 N358 M359 G364 S365P26-L362 HydrophobicContact CG-CD1 3.61Å; I27-L362 HydrophobicContact CD1-CB 4.31Å; I27-L362 HydrophobicContact CD1-CD1 4.04Å; I27-L362 HydrophobicContact CG1-CB 3.91Å; I27-L362 HydrophobicContact CG1-CD1 3.85Å; P353-L362 HydrophobicContact CB-CD1 3.73Å; P353-L362 HydrophobicContact CB-CD2 3.85Å; P353-L362 HydrophobicContact CB-CG 4.46Å; N358-L362 PolarHBondContact O-N 3.4Å; M359-L362 HydrophobicContact CB-CD1 4.45Å; M359-L362 HydrophobicContact CG-CD1 4.09Å; M359-L362 WeakPolarHBondContact O-CB 3.34Å; M359-L362 WeakPolarHBondContact O-CG 3.39Å; M359-L362 PolarHBondContact O-N 2.81Å; L362-G364 PolarHBondContact O-N 3.46Å; L362-S365 WeakPolarHBondContact O-CB 3.39Å; L362-S365 PolarHBondContact O-N 3.32Å
363P94.1Very high94.3Very high93 Ų9334 Ų3460%0.60421%0.208SC*.THydrogen-bonded Turntrans-58.6-24.1-175.1-2734.6000115.7S365 A538 L541P363-S365 VanDerWaalsContact C-N 3.33Å; P363-A538 WeakPolarHBondContact O-CB 3.37Å; P363-L541 VanDerWaalsContact O-CD1 3.25Å; P363-L541 WeakPolarHBondContact O-CD1 3.46Å
364G94.6Very high93.9Very high16 Ų1633.7 Ų33.717%0.16521%0.205CC..THydrogen-bonded Turntrans-83-7176.200000114.4I27 L362I27-G364 WeakPolarHBondContact CG2-O 3.17Å; L362-G364 PolarHBondContact O-N 3.46Å
365S96.5Very high93.5Very high0 Ų036.5 Ų36.50%023%0.225CC..  trans-95.7127.1179176.10000110.3P360 L362 P363 L367 S368 C498P360-S365 WeakPolarHBondContact O-CB 3.22Å; P360-S365 PolarHBondContact O-OG 3.35Å; P360-S365 VanDerWaalsContact O-OG 3.11Å; L362-S365 WeakPolarHBondContact O-CB 3.39Å; L362-S365 PolarHBondContact O-N 3.32Å; P363-S365 VanDerWaalsContact C-N 3.33Å; S365-L367 PolarHBondContact O-N 3.28Å; S365-L367 PolarHBondContact OG-N 2.91Å; S365-S368 VanDerWaalsContact O-CB 3.3Å; S365-S368 WeakPolarHBondContact O-CB 3.49Å; S365-S368 PolarHBondContact O-N 3.49Å; S365-S368 PolarHBondContact O-OG 3.33Å; S365-C498 CarbonylContact C-O 3.4Å; S365-C498 VanDerWaalsContact CA-O 3.31Å; S365-C498 WeakPolarHBondContact CA-O 3.44Å
366A97.1Very high93Very high0 Ų037.3 Ų37.30%023%0.233CC..G310 helixtrans-58.9-29.4173.800000112.2S368 F369 C498 W502 L503 L527 M531A366-S368 PolarHBondContact O-N 3.4Å; A366-S368 VanDerWaalsContact O-N 3.1Å; A366-F369 PolarHBondContact O-N 3.09Å; A366-C498 HydrophobicContact CB-CB 3.93Å; A366-C498 PolarHBondContact N-O 2.85Å; A366-W502 HydrophobicContact CB-CE3 4.07Å; A366-W502 HydrophobicContact CB-CZ3 4.01Å; A366-L503 HydrophobicContact CB-CD2 4.12Å; A366-L527 HydrophobicContact CB-CD2 4.4Å; A366-L527 WeakPolarHBondContact O-CD1 3.37Å; A366-M531 HydrophobicContact CB-CE 4.05Å; A366-M531 HydrophobicContact CB-SD 4.22Å
367L96.2Very high92.8Very high2 Ų237.3 Ų37.31%0.0123%0.234CC..G310 helixtrans-62.4-18.9176.3-59.6180000113.3P360 S365 F369 I370 V377 N496 C498 F522P360-L367 HydrophobicContact CB-CB 4.31Å; P360-L367 HydrophobicContact CB-CD1 4.27Å; P360-L367 CarbonylContact O-C 3.59Å; S365-L367 PolarHBondContact O-N 3.28Å; S365-L367 PolarHBondContact OG-N 2.91Å; L367-F369 PolarHBondContact O-N 3.29Å; L367-I370 HydrophobicContact CD2-CD1 3.47Å; L367-I370 VanDerWaalsContact CD2-CD1 3.47Å; L367-I370 PolarHBondContact O-N 2.97Å; L367-V377 HydrophobicContact CD1-CG1 4.35Å; L367-V377 HydrophobicContact CD2-CG1 4.02Å; L367-N496 VanDerWaalsContact CD1-C 3.49Å; L367-N496 HydrophobicContact CD1-CB 3.94Å; L367-N496 VanDerWaalsContact CD1-O 3.22Å; L367-N496 WeakPolarHBondContact CD1-O 3.2Å; L367-C498 HydrophobicContact CD2-CB 4.36Å; L367-C498 HydrophobicContact CG-CB 3.93Å; L367-F522 HydrophobicContact CD2-CE1 4.43Å; L367-F522 HydrophobicContact CD2-CZ 4.34Å
368S95.3Very high92.8Very high42 Ų4235.7 Ų35.729%0.29423%0.227SC..G310 helixtrans-66.5-15.9175.468.90000113.3P360 S365 A366P360-S368 PolarHBondContact O-N 3.45Å; P360-S368 VanDerWaalsContact O-N 3.12Å; S365-S368 VanDerWaalsContact O-CB 3.3Å; S365-S368 WeakPolarHBondContact O-CB 3.49Å; S365-S368 PolarHBondContact O-N 3.49Å; S365-S368 PolarHBondContact O-OG 3.33Å; A366-S368 PolarHBondContact O-N 3.4Å; A366-S368 VanDerWaalsContact O-N 3.1Å
369F95.5Very high92.8Very high25 Ų2534.8 Ų34.811%0.1122%0.223CC..G310 helixtrans-97.1-5.9177.5-62.2-91.6000113A366 L367 L527 K530 M531 L537 L541A366-F369 PolarHBondContact O-N 3.09Å; L367-F369 PolarHBondContact O-N 3.29Å; F369-L527 HydrophobicContact CB-CD1 3.54Å; F369-K530 WeakPolarHBondContact O-CD 3.46Å; F369-K530 WeakPolarHBondContact O-CE 3.31Å; F369-K530 PolarHBondContact O-NZ 3.38Å; F369-M531 HydrophobicContact CB-CG 3.78Å; F369-M531 HydrophobicContact CD1-CB 4.48Å; F369-M531 HydrophobicContact CD1-CG 3.82Å; F369-M531 HydrophobicContact CD2-CE 4.05Å; F369-M531 HydrophobicContact CD2-CG 3.64Å; F369-M531 HydrophobicContact CD2-SD 4.27Å; F369-M531 HydrophobicContact CE1-CG 4.31Å; F369-M531 HydrophobicContact CE2-CE 4.08Å; F369-M531 HydrophobicContact CE2-CG 4.16Å; F369-M531 HydrophobicContact CG-CG 3.46Å; F369-M531 VanDerWaalsContact CG-CG 3.46Å; F369-M531 HydrophobicContact CZ-CG 4.47Å; F369-L537 HydrophobicContact CZ-CG 4.39Å; F369-L541 HydrophobicContact CE2-CD1 3.94Å
370I92.7Very high92.8Very high23 Ų2334.8 Ų34.812%0.11822%0.223CC..SBendtrans-76.1129.8173.5-62.8177.6000109.1L367 V374 F522 L527L367-I370 HydrophobicContact CD2-CD1 3.47Å; L367-I370 VanDerWaalsContact CD2-CD1 3.47Å; L367-I370 PolarHBondContact O-N 2.97Å; I370-V374 HydrophobicContact CG2-CG2 4.15Å; I370-F522 HydrophobicContact CD1-CB 4.42Å; I370-F522 HydrophobicContact CD1-CD1 3.63Å; I370-F522 HydrophobicContact CD1-CD2 3.67Å; I370-F522 HydrophobicContact CD1-CE1 3.65Å; I370-F522 HydrophobicContact CD1-CE2 3.7Å; I370-F522 HydrophobicContact CD1-CG 3.64Å; I370-F522 HydrophobicContact CD1-CZ 3.69Å; I370-F522 HydrophobicContact CG1-CD2 4.31Å; I370-F522 HydrophobicContact CG1-CG 4.46Å; I370-L527 HydrophobicContact CG1-CD1 4.04Å; I370-L527 HydrophobicContact CG1-CD2 4.5Å
371D85.5Confident92.9Very high112 Ų11237.6 Ų37.660%0.59923%0.233SC*.  trans-72141176.1-76.5-48.9000112.3K530D371-K530 IonicContact OD1-NZ 3.09Å; D371-K530 PolarHBondContact OD1-NZ 2.87Å; D371-K530 IonicContact OD2-NZ 2.7Å; D371-K530 PolarHBondContact OD2-NZ 3.28Å
372G85.7Confident93Very high58 Ų5833.7 Ų33.760%0.59821%0.206SC*.SBendtrans74.1-166.9174.900000114.6N378G372-N378 PolarHBondContact O-ND2 3.5Å
373Q84.8Confident93Very high123 Ų12334.5 Ų34.558%0.57521%0.207SC*.  trans-115.6104.5-173.8-78.4-174.2-21.800109.3M328 V379M328-Q373 PolarHBondContact SD-OE1 3.49Å; M328-Q373 VanDerWaalsContact SD-OE1 3.36Å; Q373-V379 HydrophobicContact CB-CG2 3.62Å; Q373-V379 HydrophobicContact CG-CG2 3.97Å
374V87.7Confident93.2Very high30 Ų3030.1 Ų30.118%0.18218%0.179CC..  trans-93.7105.8176.7-177.30000108.2I370 G376 V377 N378 V379 V521I370-V374 HydrophobicContact CG2-CG2 4.15Å; V374-G376 PolarHBondContact O-N 3.08Å; V374-V377 HydrophobicContact CB-CB 4.07Å; V374-V377 HydrophobicContact CG1-CB 3.69Å; V374-V377 HydrophobicContact CG1-CG2 3.63Å; V374-V377 PolarHBondContact O-N 3.33Å; V374-V377 VanDerWaalsContact O-N 3.11Å; V374-N378 PolarHBondContact N-OD1 3.35Å; V374-N378 PolarHBondContact O-N 3.44Å; V374-N378 VanDerWaalsContact O-N 3.15Å; V374-N378 PolarHBondContact O-OD1 3.28Å; V374-V379 PolarHBondContact O-N 3.06Å; V374-V521 HydrophobicContact CG1-CG1 3.29Å
375S88.5Confident93.4Very high61 Ų6129.3 Ų29.343%0.42717%0.171SC..BIsolated β-bridgetrans-53.3126.3177.2-1650000111.1V377 W381S375-V377 VanDerWaalsContact C-N 3.25Å; S375-V377 PolarHBondContact O-N 3.12Å; S375-W381 PolarHBondContact OG-NE1 2.86Å
376G87.6Confident93.5Very high16 Ų1629.3 Ų29.317%0.16517%0.171CC..THydrogen-bonded Turntrans87.6-23.1179.500000114.3V374 V379 W381 N496V374-G376 PolarHBondContact O-N 3.08Å; G376-V379 WeakPolarHBondContact CA-O 3.21Å; G376-V379 PolarHBondContact N-O 3.46Å; G376-W381 VanDerWaalsContact CA-CE2 3.44Å; G376-W381 VanDerWaalsContact N-NE1 3.18Å; G376-N496 PolarHBondContact O-OD1 3.5Å
377V93.8Very high93.6Very high1 Ų129.3 Ų29.31%0.00617%0.171CC..THydrogen-bonded Turntrans-97.5-74.3178.9-177.20000111.5L367 V374 S375 V495 N496 V521 F522L367-V377 HydrophobicContact CD1-CG1 4.35Å; L367-V377 HydrophobicContact CD2-CG1 4.02Å; V374-V377 HydrophobicContact CB-CB 4.07Å; V374-V377 HydrophobicContact CG1-CB 3.69Å; V374-V377 HydrophobicContact CG1-CG2 3.63Å; V374-V377 PolarHBondContact O-N 3.33Å; V374-V377 VanDerWaalsContact O-N 3.11Å; S375-V377 VanDerWaalsContact C-N 3.25Å; S375-V377 PolarHBondContact O-N 3.12Å; V377-V495 WeakPolarHBondContact O-CG2 3.47Å; V377-N496 WeakPolarHBondContact CA-OD1 3.41Å; V377-N496 HydrophobicContact CG1-CB 4.33Å; V377-N496 WeakPolarHBondContact O-CB 3.43Å; V377-N496 PolarHBondContact O-N 3.2Å; V377-N496 VanDerWaalsContact O-N 3.09Å; V377-V521 HydrophobicContact CG2-CG1 3.84Å; V377-F522 HydrophobicContact CG1-CE1 4.11Å
378N94.2Very high93.7Very high17 Ų1729.2 Ų29.29%0.09117%0.17CC..THydrogen-bonded Turntrans-100.1-1.5178.273.52.8000112.7P360 G372 V374P360-N378 HydrophobicContact CB-CB 3.9Å; G372-N378 PolarHBondContact O-ND2 3.5Å; V374-N378 PolarHBondContact N-OD1 3.35Å; V374-N378 PolarHBondContact O-N 3.44Å; V374-N378 VanDerWaalsContact O-N 3.15Å; V374-N378 PolarHBondContact O-OD1 3.28Å
379V95.2Very high93.8Very high1 Ų127.2 Ų27.21%0.00616%0.156CC..BIsolated β-bridgetrans-111118.1170.2172.80000108.4M328 Q373 V374 G376M328-V379 HydrophobicContact CG-CG1 3.7Å; M328-V379 HydrophobicContact SD-CG1 4.37Å; Q373-V379 HydrophobicContact CB-CG2 3.62Å; Q373-V379 HydrophobicContact CG-CG2 3.97Å; V374-V379 PolarHBondContact O-N 3.06Å; G376-V379 WeakPolarHBondContact CA-O 3.21Å; G376-V379 PolarHBondContact N-O 3.46Å
380P97Very high93.9Very high0 Ų026.1 Ų26.10%015%0.152CC..  trans-60.6150.4-180-21.730000113.2T327 L356 K357 E493 A494 V495T327-P380 WeakPolarHBondContact CB-O 3.33Å; T327-P380 HydrophobicContact CG2-CB 4.07Å; T327-P380 WeakPolarHBondContact CG2-O 3.38Å; T327-P380 PolarHBondContact N-O 2.83Å; T327-P380 PolarHBondContact OG1-O 2.77Å; L356-P380 HydrophobicContact CB-CG 4.44Å; L356-P380 WeakPolarHBondContact O-CG 3.28Å; K357-P380 HydrophobicContact CD-CG 4.37Å; P380-E493 HydrophobicContact CB-CG 3.8Å; P380-E493 WeakPolarHBondContact CB-OE1 3.35Å; P380-A494 CarbonylContact C-O 3.59Å; P380-A494 WeakPolarHBondContact CA-O 3.43Å; P380-V495 HydrophobicContact CB-CB 4.06Å; P380-V495 HydrophobicContact CB-CG2 4.3Å; P380-V495 HydrophobicContact CG-CB 3.95Å; P380-V495 HydrophobicContact CG-CG2 3.88Å
381W96.8Very high94Very high58 Ų5826.2 Ų26.222%0.2215%0.151CC..EExtended strand (participates in β ladder)trans-110.6147.5169.4-78.8-1000111.4D324 I325 S375 G376 Y383 E493 A494D324-W381 VanDerWaalsContact CA-CE3 3.45Å; D324-W381 HydrophobicContact CB-CD2 3.84Å; D324-W381 HydrophobicContact CB-CE3 3.38Å; D324-W381 HydrophobicContact CB-CH2 3.85Å; D324-W381 HydrophobicContact CB-CZ2 4.25Å; D324-W381 HydrophobicContact CB-CZ3 3.4Å; D324-W381 VanDerWaalsContact CG-CE3 3.42Å; D324-W381 VanDerWaalsContact OD1-CZ3 3.29Å; D324-W381 WeakPolarHBondContact OD1-CZ3 3.48Å; I325-W381 WeakPolarHBondContact O-CA 3.28Å; S375-W381 PolarHBondContact OG-NE1 2.86Å; G376-W381 VanDerWaalsContact CA-CE2 3.44Å; G376-W381 VanDerWaalsContact N-NE1 3.18Å; W381-Y383 HydrophobicContact CB-CE2 3.85Å; W381-Y383 WeakPolarHBondContact O-CE2 3.46Å; W381-E493 CarbonylContact O-C 3.53Å; W381-E493 VanDerWaalsContact O-CA 3.27Å; W381-E493 WeakPolarHBondContact O-CA 3.48Å; W381-A494 PolarHBondContact N-O 3.3Å; W381-A494 PolarHBondContact O-N 3.03Å
382L97.4Very high94.5Very high0 Ų020.9 Ų20.90%012%0.123CC..EExtended strand (participates in β ladder)trans-100.3144.6172.2-73.9162.4000111.1F55 F62 I325 T327 V330 C331 A492 E493F55-L382 HydrophobicContact CE2-CD2 4.48Å; F62-L382 HydrophobicContact CE2-CD1 3.66Å; F62-L382 HydrophobicContact CZ-CD1 4.1Å; I325-L382 HydrophobicContact CB-CB 4.21Å; I325-L382 WeakPolarHBondContact CB-O 3.28Å; I325-L382 PolarHBondContact N-O 2.88Å; I325-L382 PolarHBondContact O-N 3.43Å; T327-L382 HydrophobicContact CG2-CD1 4.06Å; T327-L382 HydrophobicContact CG2-CG 3.97Å; V330-L382 HydrophobicContact CG2-CD1 3.62Å; C331-L382 VanDerWaalsContact O-CD1 3.28Å; C331-L382 WeakPolarHBondContact O-CD1 3.41Å; L382-A492 CarbonylContact C-O 3.53Å; L382-A492 WeakPolarHBondContact CA-O 3.36Å; L382-E493 HydrophobicContact CD2-CB 3.78Å; L382-E493 HydrophobicContact CD2-CG 4.06Å
383Y98.1Very high94.9Very high47 Ų4718.3 Ų18.318%0.18410%0.095CC..EExtended strand (participates in β ladder)trans-131105.4-178.4-57.4-92.4000110.2Y321 G322 D324 W381 C491 A492 A494Y321-Y383 AromaticContact CZ-CD1 3.98Å; Y321-Y383 WeakPolarHBondContact OH-CD1 3.28Å; G322-Y383 CarbonylContact O-C 3.23Å; G322-Y383 WeakPolarHBondContact O-CA 3.3Å; D324-Y383 WeakPolarHBondContact OD1-CE1 3.35Å; W381-Y383 HydrophobicContact CB-CE2 3.85Å; W381-Y383 WeakPolarHBondContact O-CE2 3.46Å; Y383-C491 CarbonylContact O-C 3.5Å; Y383-C491 VanDerWaalsContact O-CA 3.31Å; Y383-C491 WeakPolarHBondContact O-CA 3.41Å; Y383-A492 PolarHBondContact N-O 3.19Å; Y383-A492 PolarHBondContact O-N 3.1Å; Y383-A494 HydrophobicContact CD2-CB 4.5Å; Y383-A494 HydrophobicContact CE2-CB 3.82Å
384V98.1Very high95.3Very high0 Ų013.9 Ų13.90%07%0.074CC..EExtended strand (participates in β ladder)trans-95.7102.3176.7-170.50000109.8F62 F64 L275 F278 Y321 G322 I325 F489 N490F62-V384 HydrophobicContact CE1-CG2 3.94Å; F62-V384 HydrophobicContact CZ-CG2 4.01Å; F64-V384 HydrophobicContact CE1-CB 4.4Å; F64-V384 HydrophobicContact CE1-CG1 4.44Å; F64-V384 HydrophobicContact CE1-CG2 4.07Å; F64-V384 HydrophobicContact CE2-CB 4.17Å; F64-V384 HydrophobicContact CZ-CB 3.82Å; F64-V384 HydrophobicContact CZ-CG1 3.81Å; F64-V384 HydrophobicContact CZ-CG2 4Å; L275-V384 HydrophobicContact CD1-CG1 3.81Å; L275-V384 HydrophobicContact CD1-CG2 4.09Å; F278-V384 HydrophobicContact CD1-CG1 3.53Å; F278-V384 HydrophobicContact CE1-CG1 3.82Å; F278-V384 HydrophobicContact CG-CG1 4.26Å; Y321-V384 WeakPolarHBondContact CD2-O 3.29Å; G322-V384 PolarHBondContact N-O 3.32Å; G322-V384 PolarHBondContact O-N 2.93Å; I325-V384 HydrophobicContact CD1-CG2 4.07Å; V384-F489 HydrophobicContact CG1-CD2 4.46Å; V384-F489 HydrophobicContact CG1-CE2 3.78Å; V384-N490 CarbonylContact C-O 3.57Å; V384-N490 WeakPolarHBondContact CA-O 3.3Å
385G98.4Very high95.7Very high0 Ų013.1 Ų13.10%07%0.069CC..EExtended strand (participates in β ladder)trans-90.7156.5-176.500000113.9S389 G488 F489 N490G385-S389 WeakPolarHBondContact CA-OG 3.32Å; G385-G488 CarbonylContact C-O 3.6Å; G385-F489 VanDerWaalsContact O-CA 3.31Å; G385-F489 WeakPolarHBondContact O-CA 3.26Å; G385-N490 WeakPolarHBondContact CA-OD1 3.42Å; G385-N490 PolarHBondContact N-O 2.83Å; G385-N490 PolarHBondContact N-OD1 2.93Å; G385-N490 PolarHBondContact O-N 2.77Å
386M98.5Very high96Very high0 Ų011.8 Ų11.80%06%0.057CC..  trans-130170.9161.571.1-179.6-75.700110.1F278 F281 A282 F285 V319 R320 F388 S389 N486 G488F278-M386 HydrophobicContact CE1-CB 4.08Å; F278-M386 HydrophobicContact CZ-CB 4.24Å; F278-M386 HydrophobicContact CZ-CG 4.4Å; F278-M386 HydrophobicContact CZ-SD 4.38Å; F281-M386 HydrophobicContact CD1-CE 4.32Å; F281-M386 HydrophobicContact CD1-SD 4.22Å; F281-M386 HydrophobicContact CE1-CE 3.66Å; F281-M386 HydrophobicContact CE1-SD 3.68Å; F281-M386 HydrophobicContact CZ-CE 4.48Å; A282-M386 HydrophobicContact CB-CB 3.56Å; F285-M386 HydrophobicContact CB-CE 3.56Å; F285-M386 HydrophobicContact CD1-CE 3.3Å; F285-M386 HydrophobicContact CD2-CE 3.64Å; F285-M386 HydrophobicContact CE1-CE 3.86Å; F285-M386 HydrophobicContact CE2-CE 4.13Å; F285-M386 HydrophobicContact CG-CE 3.18Å; F285-M386 HydrophobicContact CZ-CE 4.24Å; V319-M386 HydrophobicContact CB-CE 4.42Å; V319-M386 HydrophobicContact CB-CG 4.39Å; V319-M386 HydrophobicContact CB-SD 4.08Å; V319-M386 HydrophobicContact CG1-CE 4.42Å; R320-M386 HydrophobicContact CB-SD 3.83Å; R320-M386 PolarHBondContact N-SD 3.22Å; R320-M386 WeakPolarHBondContact O-CG 3.35Å; R320-M386 VanDerWaalsContact O-SD 3.38Å; M386-F388 PolarHBondContact O-N 3.22Å; M386-S389 PolarHBondContact N-OG 3.08Å; M386-S389 WeakPolarHBondContact O-CB 3.36Å; M386-S389 PolarHBondContact O-N 2.9Å; M386-S389 PolarHBondContact O-OG 3.38Å; M386-N486 WeakPolarHBondContact O-CB 3.35Å; M386-G488 CarbonylContact C-O 3.53Å; M386-G488 VanDerWaalsContact C-O 3.23Å; M386-G488 WeakPolarHBondContact CA-O 3.23Å; M386-G488 PolarHBondContact N-O 2.69Å
387C98.6Very high96.2Very high0 Ų013.6 Ų13.60%06%0.062CC..THydrogen-bonded Turntrans-51.3129177.7-162.50000111.5F285 K286 S389 N486F285-C387 HydrophobicContact CD1-CB 4.12Å; F285-C387 HydrophobicContact CE1-CB 4.08Å; K286-C387 HydrophobicContact CB-CB 4.19Å; K286-C387 HydrophobicContact CD-CB 4.21Å; K286-C387 HydrophobicContact CG-CB 4.2Å; C387-S389 PolarHBondContact O-N 2.98Å; C387-N486 WeakPolarHBondContact CA-O 3.46Å
388F98.4Very high96.3Very high0 Ų013.5 Ų13.50%06%0.062CC..THydrogen-bonded Turntrans69.3-1.9-177.4-41.7-52000117.1F285 Y289 F290 V302 Q305 F306 L309 V319 M386 T390 N486F285-F388 AromaticContact CE1-CD2 3.77Å; F285-F388 HydrophobicContact CE1-CD2 3.77Å; F285-F388 HydrophobicContact CE1-CE2 4.07Å; F285-F388 AromaticContact CZ-CD2 4Å; F285-F388 HydrophobicContact CZ-CD2 4Å; F285-F388 HydrophobicContact CZ-CE2 4.37Å; Y289-F388 AromaticContact CD1-CE2 3.71Å; Y289-F388 HydrophobicContact CD1-CE2 3.71Å; Y289-F388 AromaticContact CD1-CZ 3.8Å; Y289-F388 HydrophobicContact CD1-CZ 3.8Å; Y289-F388 HydrophobicContact CD2-CE2 4.03Å; Y289-F388 AromaticContact CE1-CE2 3.66Å; Y289-F388 HydrophobicContact CE1-CE2 3.66Å; Y289-F388 AromaticContact CE1-CZ 3.51Å; Y289-F388 HydrophobicContact CE1-CZ 3.51Å; Y289-F388 AromaticContact CE2-CE2 3.97Å; Y289-F388 HydrophobicContact CE2-CE2 3.97Å; Y289-F388 AromaticContact CG-CE2 3.92Å; Y289-F388 HydrophobicContact CG-CE2 3.92Å; Y289-F388 HydrophobicContact CG-CZ 4.46Å; Y289-F388 AromaticContact CZ-CE2 3.8Å; Y289-F388 AromaticContact CZ-CZ 3.94Å; F290-F388 HydrophobicContact CE2-CE1 4.5Å; F290-F388 HydrophobicContact CE2-CE2 4.42Å; F290-F388 AromaticContact CE2-CZ 3.79Å; F290-F388 HydrophobicContact CE2-CZ 3.79Å; F290-F388 HydrophobicContact CZ-CE1 4.15Å; F290-F388 AromaticContact CZ-CZ 3.63Å; F290-F388 HydrophobicContact CZ-CZ 3.63Å; V302-F388 HydrophobicContact CG1-CD1 3.9Å; V302-F388 HydrophobicContact CG1-CE1 3.61Å; Q305-F388 HydrophobicContact CB-CE1 4.02Å; Q305-F388 HydrophobicContact CB-CZ 3.94Å; F306-F388 HydrophobicContact CB-CD1 3.86Å; F306-F388 HydrophobicContact CB-CE1 4.18Å; F306-F388 HydrophobicContact CD2-CB 4.01Å; F306-F388 HydrophobicContact CD2-CD1 4.02Å; F306-F388 HydrophobicContact CD2-CG 4.43Å; F306-F388 HydrophobicContact CG-CD1 4.44Å; L309-F388 HydrophobicContact CD1-CD1 4.37Å; L309-F388 HydrophobicContact CD1-CD2 3.6Å; L309-F388 HydrophobicContact CD1-CE1 4.32Å; L309-F388 HydrophobicContact CD1-CE2 3.57Å; L309-F388 HydrophobicContact CD1-CG 4.01Å; L309-F388 HydrophobicContact CD1-CZ 3.94Å; V319-F388 HydrophobicContact CG1-CB 4.11Å; M386-F388 PolarHBondContact O-N 3.22Å; F388-T390 PolarHBondContact O-N 3.09Å; F388-T390 PolarHBondContact O-OG1 3.09Å; F388-N486 PolarHBondContact N-O 2.92Å
389S98.1Very high96.4Very high0 Ų013.4 Ų13.40%06%0.06CC..  trans-63.7135.8169.959.50000110.6G385 M386 C387 F485 N486G385-S389 WeakPolarHBondContact CA-OG 3.32Å; M386-S389 PolarHBondContact N-OG 3.08Å; M386-S389 WeakPolarHBondContact O-CB 3.36Å; M386-S389 PolarHBondContact O-N 2.9Å; M386-S389 PolarHBondContact O-OG 3.38Å; C387-S389 PolarHBondContact O-N 2.98Å; S389-F485 CarbonylContact O-C 3.22Å; S389-F485 WeakPolarHBondContact O-CA 3.34Å; S389-F485 WeakPolarHBondContact O-CB 3.39Å; S389-N486 PolarHBondContact O-N 3.33Å; S389-N486 PolarHBondContact O-ND2 2.99Å; S389-N486 WeakPolarHBondContact OG-CB 3.44Å; S389-N486 PolarHBondContact OG-ND2 3.24Å
390T96.9Very high96.6Very high2 Ų213.4 Ų13.41%0.0126%0.061CC..EExtended strand (participates in β ladder)trans-130.8143.3-158.7-580000112.4Q69 L74 F306 Y321 F388 L450 G484Q69-T390 PolarHBondContact NE2-O 3.03Å; L74-T390 HydrophobicContact CD1-CG2 3.68Å; F306-T390 WeakPolarHBondContact CE2-OG1 3.38Å; F306-T390 HydrophobicContact CZ-CG2 4.03Å; F306-T390 WeakPolarHBondContact CZ-OG1 3.29Å; Y321-T390 WeakPolarHBondContact CD1-O 3.49Å; F388-T390 PolarHBondContact O-N 3.09Å; F388-T390 PolarHBondContact O-OG1 3.09Å; T390-L450 HydrophobicContact CG2-CD2 4.24Å; T390-G484 WeakPolarHBondContact CA-O 3.42Å; T390-G484 WeakPolarHBondContact CG2-O 3.48Å
391F95.6Very high96.6Very high24 Ų2413.5 Ų13.511%0.1056%0.061CC..EExtended strand (participates in β ladder)trans-112.6128.5160.658.3-81.7000108.1Y321 K412 W414 A483 G484Y321-F391 HydrophobicContact CE1-CB 4.43Å; F391-K412 HydrophobicContact CE1-CD 3.87Å; F391-K412 HydrophobicContact CE1-CG 4.05Å; F391-K412 HydrophobicContact CZ-CD 4.39Å; F391-W414 HydrophobicContact CE2-CD2 4.25Å; F391-W414 AromaticContact CE2-CE3 3.77Å; F391-W414 HydrophobicContact CE2-CE3 3.77Å; F391-W414 HydrophobicContact CE2-CH2 4.37Å; F391-W414 AromaticContact CE2-CZ3 3.85Å; F391-W414 HydrophobicContact CE2-CZ3 3.85Å; F391-W414 AromaticContact CZ-CD2 3.68Å; F391-W414 HydrophobicContact CZ-CD2 3.68Å; F391-W414 AromaticContact CZ-CE2 3.98Å; F391-W414 AromaticContact CZ-CE3 3.7Å; F391-W414 HydrophobicContact CZ-CE3 3.7Å; F391-W414 HydrophobicContact CZ-CG 4.22Å; F391-W414 HydrophobicContact CZ-CH2 4.25Å; F391-W414 HydrophobicContact CZ-CZ2 4.25Å; F391-W414 AromaticContact CZ-CZ3 4Å; F391-W414 HydrophobicContact CZ-CZ3 4Å; F391-A483 WeakPolarHBondContact CE2-O 3.41Å; F391-A483 WeakPolarHBondContact O-CA 3.07Å; F391-G484 VanDerWaalsContact CD1-O 3.32Å; F391-G484 WeakPolarHBondContact CD1-O 3.44Å; F391-G484 VanDerWaalsContact CE1-CA 3.49Å; F391-G484 PolarHBondContact N-O 2.62Å; F391-G484 PolarHBondContact O-N 2.72Å; F391-G484 VanDerWaalsContact O-O 3.13Å
392C94.5Very high96.7Very high1 Ų111 Ų111%0.0075%0.052CC..EExtended strand (participates in β ladder)trans-85.9176.4-172.2-60.90000111.6H394 L447 V448 T449 H482C392-H394 PolarHBondContact O-N 3.5Å; C392-H394 PolarHBondContact O-ND1 2.98Å; C392-L447 WeakPolarHBondContact CB-O 3.18Å; C392-V448 PolarHBondContact SG-O 3.45Å; C392-T449 WeakPolarHBondContact CB-O 3.32Å; C392-H482 VanDerWaalsContact O-O 3.1Å
393W95.3Very high96.8Very high3 Ų311 Ų111%0.0115%0.052CC..EExtended strand (participates in β ladder)trans-60.1124-179.1-70112.8000111.9Y415 V417 F425 T449 V451 P453 L456 V463 Y481 H482 A483W393-Y415 VanDerWaalsContact CH2-CB 3.41Å; W393-Y415 HydrophobicContact CH2-CG 4.49Å; W393-V417 HydrophobicContact CH2-CG2 3.93Å; W393-V417 HydrophobicContact CZ3-CG2 3.8Å; W393-F425 HydrophobicContact CB-CE1 4.45Å; W393-F425 HydrophobicContact CB-CZ 3.68Å; W393-F425 AromaticContact CD2-CE2 3.92Å; W393-F425 HydrophobicContact CD2-CE2 3.92Å; W393-F425 AromaticContact CD2-CZ 3.85Å; W393-F425 HydrophobicContact CD2-CZ 3.85Å; W393-F425 HydrophobicContact CE3-CE2 4.19Å; W393-F425 HydrophobicContact CE3-CZ 4.18Å; W393-F425 HydrophobicContact CG-CE2 4.11Å; W393-F425 AromaticContact CG-CZ 3.64Å; W393-F425 HydrophobicContact CG-CZ 3.64Å; W393-T449 PolarHBondContact N-O 2.93Å; W393-V451 PolarHBondContact NE1-O 3.37Å; W393-P453 HydrophobicContact CZ2-CG 4.17Å; W393-L456 HydrophobicContact CH2-CD1 4.35Å; W393-L456 HydrophobicContact CZ2-CD1 3.66Å; W393-V463 HydrophobicContact CH2-CG1 3.93Å; W393-Y481 WeakPolarHBondContact CZ3-O 3.49Å; W393-H482 VanDerWaalsContact CA-O 3.28Å; W393-H482 WeakPolarHBondContact CA-O 3.44Å; W393-H482 VanDerWaalsContact CE3-C 3.45Å; W393-A483 HydrophobicContact CB-CB 4.38Å; W393-A483 HydrophobicContact CD2-CB 3.39Å; W393-A483 HydrophobicContact CE3-CB 3.62Å; W393-A483 HydrophobicContact CG-CB 3.75Å; W393-A483 HydrophobicContact CH2-CB 4.4Å; W393-A483 HydrophobicContact CZ2-CB 4.2Å; W393-A483 HydrophobicContact CZ3-CB 4.12Å
394H93.4Very high96.8Very high30 Ų308.9 Ų8.914%0.1394%0.044CC..EExtended strand (participates in β ladder)trans-157.8165.417565.8-70.1000113C392 L447 Y481 H482C392-H394 PolarHBondContact O-N 3.5Å; C392-H394 PolarHBondContact O-ND1 2.98Å; H394-L447 HydrophobicContact CB-CD2 3.12Å; H394-L447 HydrophobicContact CB-CG 4.45Å; H394-Y481 CarbonylContact O-C 3.5Å; H394-Y481 VanDerWaalsContact O-CA 3.3Å; H394-Y481 WeakPolarHBondContact O-CA 3.5Å; H394-H482 AromaticContact CD2-CE1 3.91Å; H394-H482 AromaticContact CD2-NE2 3.85Å; H394-H482 AromaticContact CE1-CD2 3.61Å; H394-H482 AromaticContact CE1-CE1 3.9Å; H394-H482 AromaticContact CE1-NE2 3.16Å; H394-H482 PolarHBondContact CE1-NE2 3.37Å; H394-H482 PolarHBondContact N-O 3.06Å; H394-H482 AromaticContact ND1-NE2 3.85Å; H394-H482 PolarHBondContact ND1-O 3.11Å; H394-H482 AromaticContact NE2-CE1 3.69Å; H394-H482 AromaticContact NE2-NE2 3.18Å; H394-H482 PolarHBondContact NE2-NE2 3.33Å; H394-H482 VanDerWaalsContact NE2-NE2 3.18Å; H394-H482 PolarHBondContact O-N 3Å; H394-H482 PolarHBondContact O-ND1 2.84Å
395T94.7Very high96.8Very high14 Ų149.2 Ų9.29%0.0865%0.046CC..  trans-107.4155.7164.153.20000109R479 Y481T395-R479 WeakPolarHBondContact CG2-O 3.35Å; T395-Y481 HydrophobicContact CG2-CD1 3.97Å; T395-Y481 HydrophobicContact CG2-CD2 3.88Å; T395-Y481 HydrophobicContact CG2-CE1 4Å; T395-Y481 HydrophobicContact CG2-CE2 3.92Å; T395-Y481 HydrophobicContact CG2-CG 3.92Å
396E95Very high96.8Very high33 Ų339.2 Ų9.215%0.1545%0.046CC..  trans-67.4155173.8-61.6-63.5158.800111.6H398 W399 C400 S402 H482 N496E396-H398 PolarHBondContact O-N 2.85Å; E396-W399 PolarHBondContact O-N 2.99Å; E396-W399 VanDerWaalsContact O-N 3.09Å; E396-C400 HydrophobicContact CB-CB 4.31Å; E396-C400 WeakPolarHBondContact CB-O 3.37Å; E396-S402 VanDerWaalsContact CD-OG 3.27Å; E396-S402 WeakPolarHBondContact OE1-CB 3.33Å; E396-S402 PolarHBondContact OE1-OG 2.75Å; E396-H482 IonicContact OE1-CE1 3.04Å; E396-H482 PolarHBondContact OE1-CE1 2.64Å; E396-H482 IonicContact OE1-NE2 3.95Å; E396-H482 PolarHBondContact OE1-NE2 3.05Å; E396-N496 PolarHBondContact OE2-ND2 3.45Å
397D92.9Very high96.8Very high54 Ų5410.1 Ų10.129%0.2895%0.05SC..G310 helixtrans-56.6139.9173.2-74.2-45.4000110.7W399 C400 R518 V521D397-W399 PolarHBondContact O-N 3.2Å; D397-C400 WeakPolarHBondContact O-CB 3.42Å; D397-C400 PolarHBondContact O-N 3.27Å; D397-C400 PolarHBondContact O-SG 3.37Å; D397-R518 IonicContact OD1-CZ 3.13Å; D397-R518 IonicContact OD1-NH2 2.72Å; D397-R518 PolarHBondContact OD1-NH2 2.98Å; D397-V521 HydrophobicContact CB-CG2 4.01Å
398H95.7Very high96.8Very high0 Ų012.4 Ų12.40%06%0.06CC..G310 helixtrans5224.4-174.8-61.2-99.1000115E396 C400 W502 C509 I510 Y513 V521 F522E396-H398 PolarHBondContact O-N 2.85Å; H398-C400 PolarHBondContact O-N 3.15Å; H398-C400 VanDerWaalsContact O-N 3.12Å; H398-W502 HydrophobicContact CB-CZ2 3.83Å; H398-W502 PolarHBondContact O-NE1 3.45Å; H398-C509 VanDerWaalsContact C-SG 3.54Å; H398-C509 VanDerWaalsContact CA-SG 3.54Å; H398-I510 WeakPolarHBondContact ND1-CD1 3.49Å; H398-Y513 PolarHBondContact N-OH 3.19Å; H398-V521 PolarHBondContact NE2-N 3.29Å; H398-F522 HydrophobicContact CB-CE1 4.38Å; H398-F522 HydrophobicContact CB-CZ 4.06Å; H398-F522 AromaticContact CD2-CD1 3.79Å; H398-F522 AromaticContact CD2-CE1 3.33Å; H398-F522 WeakPolarHBondContact CD2-CE1 3.45Å; H398-F522 AromaticContact CD2-CZ 3.72Å; H398-F522 PolarHBondContact CE1-O 2.96Å; H398-F522 AromaticContact CG-CE1 3.81Å; H398-F522 AromaticContact CG-CZ 3.69Å; H398-F522 AromaticContact ND1-CZ 3.97Å; H398-F522 AromaticContact NE2-CD1 3.54Å; H398-F522 AromaticContact NE2-CE1 3.56Å; H398-F522 AromaticContact NE2-CG 3.94Å; H398-F522 AromaticContact NE2-CZ 3.97Å; H398-F522 PolarHBondContact NE2-N 2.76Å
399W96.9Very high96.7Very high15 Ų1514.3 Ų14.36%0.0578%0.079CC..G310 helixtrans50.735-172.6-61.2-16000112.4E396 D397 P478 R479 W502 Q508 C509E396-W399 PolarHBondContact O-N 2.99Å; E396-W399 VanDerWaalsContact O-N 3.09Å; D397-W399 PolarHBondContact O-N 3.2Å; W399-P478 HydrophobicContact CB-CB 4.45Å; W399-P478 VanDerWaalsContact O-CA 3.3Å; W399-P478 WeakPolarHBondContact O-CA 3.29Å; W399-P478 VanDerWaalsContact O-CB 3.25Å; W399-P478 WeakPolarHBondContact O-CB 3.2Å; W399-R479 HydrophobicContact CB-CB 4.44Å; W399-R479 HydrophobicContact CD2-CB 3.82Å; W399-R479 HydrophobicContact CD2-CG 3.82Å; W399-R479 HydrophobicContact CE3-CB 4.14Å; W399-R479 HydrophobicContact CE3-CG 4.19Å; W399-R479 HydrophobicContact CG-CB 3.96Å; W399-R479 HydrophobicContact CG-CG 4.3Å; W399-R479 HydrophobicContact CH2-CG 4.28Å; W399-R479 HydrophobicContact CZ2-CG 3.91Å; W399-R479 HydrophobicContact CZ3-CG 4.4Å; W399-W502 VanDerWaalsContact O-CD1 3.32Å; W399-W502 PolarHBondContact O-NE1 3.21Å; W399-Q508 HydrophobicContact CZ3-CB 3.78Å; W399-C509 HydrophobicContact CB-CB 4.23Å; W399-C509 VanDerWaalsContact CD1-SG 3.51Å; W399-C509 HydrophobicContact CD2-CB 3.54Å; W399-C509 HydrophobicContact CE3-CB 3.64Å; W399-C509 HydrophobicContact CG-CB 3.83Å; W399-C509 VanDerWaalsContact CG-SG 3.51Å; W399-C509 HydrophobicContact CZ3-CB 4.19Å
400C98.1Very high96.8Very high1 Ų116.6 Ų16.61%0.0079%0.092CC..  trans-59.9158.9174-65.90000110.9E396 D397 H398 N496 C498E396-C400 HydrophobicContact CB-CB 4.31Å; E396-C400 WeakPolarHBondContact CB-O 3.37Å; D397-C400 WeakPolarHBondContact O-CB 3.42Å; D397-C400 PolarHBondContact O-N 3.27Å; D397-C400 PolarHBondContact O-SG 3.37Å; H398-C400 PolarHBondContact O-N 3.15Å; H398-C400 VanDerWaalsContact O-N 3.12Å; C400-N496 HydrophobicContact CB-CB 3.77Å; C400-C498 PolarHBondContact SG-SG 3.2Å
401Y98.4Very high96.8Very high1 Ų117.1 Ų17.10%0.00410%0.096CC..EExtended strand (participates in β ladder)trans-68.8147.7158-61.9-115.1000107.3I30 T34 I475 T476 F477 P478 N496 V497 E501 W502I30-Y401 HydrophobicContact CG2-CD1 3.7Å; I30-Y401 HydrophobicContact CG2-CE1 4Å; I30-Y401 HydrophobicContact CG2-CG 4.36Å; T34-Y401 VanDerWaalsContact CG2-OH 3.28Å; T34-Y401 WeakPolarHBondContact CG2-OH 3.35Å; T34-Y401 PolarHBondContact OG1-OH 3.25Å; Y401-I475 HydrophobicContact CD1-CG2 4.29Å; Y401-T476 WeakPolarHBondContact CA-O 3.32Å; Y401-F477 HydrophobicContact CD1-CD1 4.15Å; Y401-F477 AromaticContact CE1-CD1 3.62Å; Y401-F477 HydrophobicContact CE1-CD1 3.62Å; Y401-F477 HydrophobicContact CE1-CE1 4.16Å; Y401-P478 HydrophobicContact CD2-CG 3.61Å; Y401-P478 HydrophobicContact CE1-CG 4.22Å; Y401-P478 VanDerWaalsContact CE2-CD 3.42Å; Y401-P478 HydrophobicContact CE2-CG 3.14Å; Y401-P478 HydrophobicContact CG-CG 4.26Å; Y401-P478 VanDerWaalsContact CZ-CG 3.48Å; Y401-N496 CarbonylContact O-C 3.56Å; Y401-N496 WeakPolarHBondContact O-CA 3.24Å; Y401-N496 WeakPolarHBondContact O-CB 3.44Å; Y401-N496 PolarHBondContact O-ND2 2.92Å; Y401-V497 VanDerWaalsContact CB-O 3.31Å; Y401-V497 WeakPolarHBondContact CB-O 3.39Å; Y401-V497 PolarHBondContact N-O 3.24Å; Y401-V497 PolarHBondContact O-N 3.47Å; Y401-E501 WeakPolarHBondContact OH-CG 3.45Å; Y401-E501 PolarHBondContact OH-OE1 3.11Å; Y401-E501 VanDerWaalsContact OH-OE1 3.12Å; Y401-W502 HydrophobicContact CD2-CB 4.27Å; Y401-W502 HydrophobicContact CE2-CB 3.99Å
402S98.2Very high97Very high5 Ų516.2 Ų16.24%0.0359%0.092CC..EExtended strand (participates in β ladder)trans-117.9151.1158.968.30000111.1E396 I475 T476 V495E396-S402 VanDerWaalsContact CD-OG 3.27Å; E396-S402 WeakPolarHBondContact OE1-CB 3.33Å; E396-S402 PolarHBondContact OE1-OG 2.75Å; S402-I475 CarbonylContact O-C 3.57Å; S402-I475 VanDerWaalsContact O-CA 3.29Å; S402-I475 WeakPolarHBondContact O-CA 3.35Å; S402-T476 PolarHBondContact N-O 2.92Å; S402-T476 PolarHBondContact N-OG1 3.21Å; S402-T476 VanDerWaalsContact N-OG1 3.17Å; S402-T476 PolarHBondContact O-N 2.92Å; S402-T476 WeakPolarHBondContact OG-CG2 3.49Å; S402-T476 PolarHBondContact OG-OG1 3.18Å; S402-V495 WeakPolarHBondContact CA-O 3.47Å
403I98.5Very high97.2Very high1 Ų116.1 Ų16.11%0.0059%0.092CC..EExtended strand (participates in β ladder)trans-127.3132.6171.9-174169.9000108.5I30 W354 L356 M359 F473 V474 I475 A494 V495 V497I30-I403 HydrophobicContact CD1-CD1 4.36Å; W354-I403 HydrophobicContact CZ3-CD1 4.24Å; L356-I403 HydrophobicContact CD2-CD1 4.27Å; L356-I403 HydrophobicContact CD2-CG1 4.25Å; L356-I403 HydrophobicContact CD2-CG2 3.62Å; M359-I403 HydrophobicContact CE-CD1 4.04Å; M359-I403 HydrophobicContact SD-CD1 3.94Å; M359-I403 HydrophobicContact SD-CG2 3.8Å; I403-F473 HydrophobicContact CD1-CB 4.4Å; I403-F473 HydrophobicContact CD1-CD1 3.7Å; I403-F473 HydrophobicContact CD1-CE1 4.32Å; I403-F473 HydrophobicContact CD1-CG 4.31Å; I403-F473 HydrophobicContact CG1-CB 4.38Å; I403-F473 HydrophobicContact CG1-CD1 3.89Å; I403-V474 CarbonylContact C-O 3.58Å; I403-V474 WeakPolarHBondContact CA-O 3.32Å; I403-I475 HydrophobicContact CB-CG1 4.45Å; I403-I475 HydrophobicContact CD1-CG1 4.22Å; I403-I475 HydrophobicContact CG1-CG1 4.11Å; I403-A494 WeakPolarHBondContact O-CA 3.47Å; I403-A494 WeakPolarHBondContact O-CB 3.3Å; I403-V495 HydrophobicContact CG2-CG1 3.94Å; I403-V495 PolarHBondContact N-O 3.34Å; I403-V495 PolarHBondContact O-N 3.5Å; I403-V497 HydrophobicContact CG2-CG2 3.76Å
404S98.6Very high97.4Very high3 Ų316.7 Ų16.72%0.0219%0.094CC..EExtended strand (participates in β ladder)trans-123.6129.1-179.11720000109.8Q468 F473 V474 E493S404-Q468 PolarHBondContact O-NE2 3.05Å; S404-F473 CarbonylContact O-C 3.55Å; S404-F473 WeakPolarHBondContact O-CA 3.03Å; S404-V474 PolarHBondContact N-O 3.35Å; S404-V474 PolarHBondContact O-N 2.92Å; S404-E493 CarbonylContact C-O 3.52Å; S404-E493 VanDerWaalsContact CA-O 3.32Å; S404-E493 WeakPolarHBondContact CA-O 3.46Å
405Y98.6Very high97.6Very high6 Ų615.3 Ų15.32%0.0249%0.087CC..EExtended strand (participates in β ladder)trans-109.9128.4172.9-178.3-104.7000110.3W51 P53 F334 H407 G471 F473 A492 E493W51-Y405 AromaticContact NE1-CE2 3.64Å; W51-Y405 AromaticContact NE1-CZ 3.98Å; P53-Y405 VanDerWaalsContact CD-OH 3.28Å; P53-Y405 WeakPolarHBondContact CD-OH 3.21Å; P53-Y405 HydrophobicContact CG-CE1 3.68Å; P53-Y405 HydrophobicContact CG-CE2 4.44Å; P53-Y405 VanDerWaalsContact CG-CZ 3.49Å; P53-Y405 WeakPolarHBondContact CG-OH 3.48Å; F334-Y405 AromaticContact CE1-CD1 4Å; F334-Y405 HydrophobicContact CE1-CD1 4Å; F334-Y405 HydrophobicContact CE1-CE1 4.1Å; F334-Y405 HydrophobicContact CE1-CG 4.49Å; F334-Y405 HydrophobicContact CE2-CD1 4.03Å; F334-Y405 HydrophobicContact CE2-CG 4.4Å; F334-Y405 AromaticContact CZ-CD1 3.33Å; F334-Y405 HydrophobicContact CZ-CD1 3.33Å; F334-Y405 HydrophobicContact CZ-CD2 4.45Å; F334-Y405 AromaticContact CZ-CE1 3.91Å; F334-Y405 HydrophobicContact CZ-CE1 3.91Å; F334-Y405 AromaticContact CZ-CG 3.64Å; F334-Y405 HydrophobicContact CZ-CG 3.64Å; Y405-H407 AromaticContact CD1-CE1 3.74Å; Y405-H407 AromaticContact CD1-CG 3.82Å; Y405-H407 AromaticContact CD1-ND1 3.53Å; Y405-H407 HydrophobicContact CE1-CB 4.39Å; Y405-H407 AromaticContact CE1-CE1 3.99Å; Y405-H407 AromaticContact CE1-CG 3.95Å; Y405-H407 AromaticContact CE1-ND1 3.43Å; Y405-H407 WeakPolarHBondContact CE1-ND1 3.37Å; Y405-H407 PolarHBondContact O-N 3.02Å; Y405-G471 WeakPolarHBondContact CE2-O 3.36Å; Y405-G471 WeakPolarHBondContact OH-CA 3.49Å; Y405-F473 AromaticContact CD2-CD1 3.73Å; Y405-F473 HydrophobicContact CD2-CD1 3.73Å; Y405-F473 AromaticContact CD2-CD2 3.9Å; Y405-F473 HydrophobicContact CD2-CD2 3.9Å; Y405-F473 AromaticContact CD2-CE1 3.5Å; Y405-F473 HydrophobicContact CD2-CE1 3.5Å; Y405-F473 VanDerWaalsContact CD2-CE1 3.5Å; Y405-F473 AromaticContact CD2-CE2 3.67Å; Y405-F473 HydrophobicContact CD2-CE2 3.67Å; Y405-F473 AromaticContact CD2-CG 3.93Å; Y405-F473 HydrophobicContact CD2-CG 3.93Å; Y405-F473 AromaticContact CD2-CZ 3.46Å; Y405-F473 HydrophobicContact CD2-CZ 3.46Å; Y405-F473 VanDerWaalsContact CD2-CZ 3.46Å; Y405-F473 HydrophobicContact CE2-CD2 4.35Å; Y405-F473 HydrophobicContact CE2-CE1 4.42Å; Y405-F473 AromaticContact CE2-CE2 3.9Å; Y405-F473 HydrophobicContact CE2-CE2 3.9Å; Y405-F473 AromaticContact CE2-CZ 3.95Å; Y405-F473 HydrophobicContact CE2-CZ 3.95Å; Y405-F473 HydrophobicContact CG-CD1 4.22Å; Y405-F473 AromaticContact CG-CE1 3.93Å; Y405-F473 HydrophobicContact CG-CE1 3.93Å; Y405-F473 HydrophobicContact CG-CZ 4.23Å; Y405-A492 CarbonylContact O-C 3.42Å; Y405-A492 VanDerWaalsContact O-CA 3.24Å; Y405-A492 WeakPolarHBondContact O-CA 3.25Å; Y405-E493 PolarHBondContact N-O 3.31Å; Y405-E493 PolarHBondContact O-N 3.21Å
406L98.6Very high97.8Very high0 Ų014.6 Ų14.60%08%0.083CC..EExtended strand (participates in β ladder)trans-91.3101.8175.9-168.962.9000109.6K412 Q468 A470 G471 E472 N490 A492L406-K412 HydrophobicContact CD2-CB 4.44Å; L406-Q468 HydrophobicContact CB-CG 3.89Å; L406-Q468 HydrophobicContact CD2-CG 4.21Å; L406-Q468 WeakPolarHBondContact CD2-O 3.5Å; L406-A470 CarbonylContact O-C 3.57Å; L406-A470 WeakPolarHBondContact O-CA 3.46Å; L406-G471 PolarHBondContact O-N 3.07Å; L406-E472 PolarHBondContact N-O 3.02Å; L406-E472 VanDerWaalsContact N-O 3.14Å; L406-N490 HydrophobicContact CD1-CB 3.94Å; L406-A492 HydrophobicContact CD1-CB 3.81Å
407H98Very high98Very high19 Ų1913 Ų139%0.0888%0.076CC..EExtended strand (participates in β ladder)trans-62.2-48.2-175.2-76.6-74.3000112.9F55 G333 F334 Y405 C491 E493F55-H407 HydrophobicContact CB-CB 4.49Å; F55-H407 HydrophobicContact CD2-CB 3.64Å; F55-H407 AromaticContact CD2-CD2 3.84Å; F55-H407 AromaticContact CD2-CG 3.52Å; F55-H407 AromaticContact CD2-ND1 3.79Å; F55-H407 HydrophobicContact CE2-CB 4.27Å; F55-H407 AromaticContact CE2-CD2 3.95Å; F55-H407 HydrophobicContact CG-CB 4.39Å; G333-H407 VanDerWaalsContact C-CE1 3.46Å; F334-H407 AromaticContact CD2-CE1 3.46Å; F334-H407 VanDerWaalsContact CD2-CE1 3.46Å; F334-H407 WeakPolarHBondContact CD2-CE1 3.49Å; F334-H407 AromaticContact CD2-NE2 3.74Å; F334-H407 AromaticContact CE1-CE1 3.98Å; F334-H407 AromaticContact CE2-CE1 3.41Å; F334-H407 VanDerWaalsContact CE2-CE1 3.41Å; F334-H407 WeakPolarHBondContact CE2-CE1 3.23Å; F334-H407 AromaticContact CE2-NE2 3.62Å; F334-H407 AromaticContact CG-CE1 3.76Å; F334-H407 AromaticContact CZ-CE1 3.7Å; Y405-H407 AromaticContact CD1-CE1 3.74Å; Y405-H407 AromaticContact CD1-CG 3.82Å; Y405-H407 AromaticContact CD1-ND1 3.53Å; Y405-H407 HydrophobicContact CE1-CB 4.39Å; Y405-H407 AromaticContact CE1-CE1 3.99Å; Y405-H407 AromaticContact CE1-CG 3.95Å; Y405-H407 AromaticContact CE1-ND1 3.43Å; Y405-H407 WeakPolarHBondContact CE1-ND1 3.37Å; Y405-H407 PolarHBondContact O-N 3.02Å; H407-C491 WeakPolarHBondContact CB-O 3.32Å; H407-C491 PolarHBondContact N-O 3.48Å; H407-E493 IonicContact CD2-OE2 3.22Å; H407-E493 IonicContact CE1-OE2 2.69Å; H407-E493 WeakPolarHBondContact NE2-CB 3.3Å; H407-E493 IonicContact NE2-OE2 3.47Å; H407-E493 PolarHBondContact NE2-OE2 3.31Å
408F97.8Very high98.2Very high48 Ų4810.7 Ų10.721%0.2116%0.063CC..EExtended strand (participates in β ladder)trans-159.4169.8-17960.4-100.3000111.9F55 L275 F489 N490 C491F55-F408 HydrophobicContact CB-CD1 4.04Å; F55-F408 HydrophobicContact CB-CE1 4.28Å; F55-F408 HydrophobicContact CD1-CD1 4.09Å; F55-F408 AromaticContact CD1-CE1 3.48Å; F55-F408 HydrophobicContact CD1-CE1 3.48Å; F55-F408 VanDerWaalsContact CD1-CE1 3.48Å; F55-F408 HydrophobicContact CD1-CZ 4.49Å; F55-F408 HydrophobicContact CD2-CD1 4.12Å; F55-F408 AromaticContact CD2-CE1 3.79Å; F55-F408 HydrophobicContact CD2-CE1 3.79Å; F55-F408 AromaticContact CE1-CE1 3.61Å; F55-F408 HydrophobicContact CE1-CE1 3.61Å; F55-F408 HydrophobicContact CE1-CZ 4.29Å; F55-F408 AromaticContact CE2-CE1 3.89Å; F55-F408 HydrophobicContact CE2-CE1 3.89Å; F55-F408 AromaticContact CG-CD1 3.81Å; F55-F408 HydrophobicContact CG-CD1 3.81Å; F55-F408 AromaticContact CG-CE1 3.57Å; F55-F408 HydrophobicContact CG-CE1 3.57Å; F55-F408 AromaticContact CZ-CE1 3.81Å; F55-F408 HydrophobicContact CZ-CE1 3.81Å; F55-F408 HydrophobicContact CZ-CZ 4.45Å; L275-F408 HydrophobicContact CD1-CZ 4.25Å; L275-F408 HydrophobicContact CD2-CZ 3.99Å; F408-F489 HydrophobicContact CD2-CE1 4.1Å; F408-F489 HydrophobicContact CE2-CD1 4.27Å; F408-F489 AromaticContact CE2-CE1 3.42Å; F408-F489 HydrophobicContact CE2-CE1 3.42Å; F408-F489 VanDerWaalsContact CE2-CE1 3.42Å; F408-F489 AromaticContact CE2-CZ 3.64Å; F408-F489 HydrophobicContact CE2-CZ 3.64Å; F408-F489 HydrophobicContact CZ-CE1 4.37Å; F408-F489 HydrophobicContact CZ-CZ 4.23Å; F408-N490 WeakPolarHBondContact O-CA 3.47Å; F408-N490 VanDerWaalsContact O-CB 3.31Å; F408-N490 WeakPolarHBondContact O-CB 3.28Å; F408-C491 HydrophobicContact CD1-CB 4.18Å; F408-C491 HydrophobicContact CD2-CB 4.34Å; F408-C491 HydrophobicContact CE1-CB 3.46Å; F408-C491 VanDerWaalsContact CE1-CB 3.46Å; F408-C491 HydrophobicContact CE2-CB 3.62Å; F408-C491 HydrophobicContact CZ-CB 3.14Å; F408-C491 PolarHBondContact O-N 3.4Å
409G97.9Very high98.3Very high40 Ų4011.2 Ų11.241%0.4127%0.069SC..EExtended strand (participates in β ladder)trans97.3-160.4168.200000114.2F489G409-F489 CarbonylContact C-O 3.48Å; G409-F489 WeakPolarHBondContact CA-O 3.46Å
410D98.6Very high98.3Very high49 Ų4916 Ų1626%0.26211%0.105SC..SBendtrans-66.2154.4178.8-69.5-77.9000112K286 N487 G488 F489 N490K286-D410 IonicContact NZ-OD1 2.95Å; K286-D410 PolarHBondContact NZ-OD1 3.44Å; K286-D410 IonicContact NZ-OD2 3.1Å; D410-N487 HydrophobicContact CB-CB 4.41Å; D410-G488 WeakPolarHBondContact OD2-CA 3.38Å; D410-F489 PolarHBondContact N-O 3.28Å; D410-F489 PolarHBondContact OD2-N 3.18Å; D410-N490 WeakPolarHBondContact O-CB 3.25Å; D410-N490 PolarHBondContact O-ND2 3.16Å
411A98.6Very high98.3Very high13 Ų1316.5 Ų16.511%0.10711%0.109CC..  trans-60.6154.918000000113Q468 N487A411-Q468 CarbonylContact C-O 3.58Å; A411-Q468 WeakPolarHBondContact CA-O 3.36Å; A411-Q468 WeakPolarHBondContact CB-O 3.34Å; A411-N487 WeakPolarHBondContact O-CB 3.5Å; A411-N487 PolarHBondContact O-N 3.36Å; A411-N487 PolarHBondContact O-ND2 2.9Å
412K98.8Very high98.2Very high4 Ų416.4 Ų16.42%0.01711%0.109CC..EExtended strand (participates in β ladder)trans-109.1128169.4-174-173.5-65-780108.7F391 L406 W414 Q468 N486F391-K412 HydrophobicContact CE1-CD 3.87Å; F391-K412 HydrophobicContact CE1-CG 4.05Å; F391-K412 HydrophobicContact CZ-CD 4.39Å; L406-K412 HydrophobicContact CD2-CB 4.44Å; K412-W414 HydrophobicContact CD-CZ2 3.72Å; K412-W414 VanDerWaalsContact CD-NE1 3.28Å; K412-Q468 HydrophobicContact CB-CB 4.38Å; K412-Q468 PolarHBondContact N-O 2.81Å; K412-Q468 PolarHBondContact O-N 2.91Å; K412-N486 WeakPolarHBondContact CE-OD1 3.24Å; K412-N486 PolarHBondContact NZ-OD1 2.71Å
413T98.8Very high98Very high0 Ų022.1 Ų22.10%014%0.135CC..EExtended strand (participates in β ladder)trans-90.3130.3175.3-57.80000108.6Y415 K465 L466 H467 G484 F485 N487T413-Y415 HydrophobicContact CG2-CE1 4.34Å; T413-Y415 HydrophobicContact CG2-CE2 4.36Å; T413-K465 HydrophobicContact CG2-CG 4.32Å; T413-L466 WeakPolarHBondContact CA-O 3.03Å; T413-H467 PolarHBondContact OG1-CE1 3.18Å; T413-H467 VanDerWaalsContact OG1-CE1 3.32Å; T413-H467 PolarHBondContact OG1-ND1 3.22Å; T413-G484 CarbonylContact O-C 3.55Å; T413-G484 WeakPolarHBondContact O-CA 3.41Å; T413-F485 HydrophobicContact CG2-CE1 3.87Å; T413-F485 HydrophobicContact CG2-CZ 3.89Å; T413-F485 PolarHBondContact N-O 2.95Å; T413-F485 PolarHBondContact O-N 2.86Å; T413-N487 PolarHBondContact OG1-ND2 3.09Å
414W98.8Very high97.9Very high14 Ų1425.4 Ų25.45%0.05315%0.152CC..EExtended strand (participates in β ladder)trans-117.9145.7177.7-68.475.8000110.1F391 K412 K465 L466 V474 T476 H482 A483F391-W414 HydrophobicContact CE2-CD2 4.25Å; F391-W414 AromaticContact CE2-CE3 3.77Å; F391-W414 HydrophobicContact CE2-CE3 3.77Å; F391-W414 HydrophobicContact CE2-CH2 4.37Å; F391-W414 AromaticContact CE2-CZ3 3.85Å; F391-W414 HydrophobicContact CE2-CZ3 3.85Å; F391-W414 AromaticContact CZ-CD2 3.68Å; F391-W414 HydrophobicContact CZ-CD2 3.68Å; F391-W414 AromaticContact CZ-CE2 3.98Å; F391-W414 AromaticContact CZ-CE3 3.7Å; F391-W414 HydrophobicContact CZ-CE3 3.7Å; F391-W414 HydrophobicContact CZ-CG 4.22Å; F391-W414 HydrophobicContact CZ-CH2 4.25Å; F391-W414 HydrophobicContact CZ-CZ2 4.25Å; F391-W414 AromaticContact CZ-CZ3 4Å; F391-W414 HydrophobicContact CZ-CZ3 4Å; K412-W414 HydrophobicContact CD-CZ2 3.72Å; K412-W414 VanDerWaalsContact CD-NE1 3.28Å; W414-K465 CarbonylContact O-C 3.59Å; W414-K465 VanDerWaalsContact O-CA 3.31Å; W414-K465 WeakPolarHBondContact O-CA 3.39Å; W414-L466 HydrophobicContact CB-CD1 3.74Å; W414-L466 HydrophobicContact CB-CG 3.97Å; W414-L466 HydrophobicContact CG-CD1 3.87Å; W414-L466 PolarHBondContact N-O 2.91Å; W414-L466 PolarHBondContact O-N 2.65Å; W414-V474 HydrophobicContact CD2-CG1 3.86Å; W414-V474 HydrophobicContact CE3-CG1 4.01Å; W414-V474 HydrophobicContact CG-CG1 4.33Å; W414-V474 HydrophobicContact CH2-CG1 4.4Å; W414-V474 HydrophobicContact CZ2-CB 4.3Å; W414-V474 HydrophobicContact CZ2-CG1 4.26Å; W414-V474 HydrophobicContact CZ3-CG1 4.26Å; W414-T476 HydrophobicContact CZ3-CG2 3.89Å; W414-H482 AromaticContact CZ3-CD2 3.6Å; W414-A483 CarbonylContact C-O 3.59Å
415Y98.6Very high97.8Very high1 Ų125.3 Ų25.30%0.00415%0.151CC..EExtended strand (participates in β ladder)trans-120.3138.6165.2-53-72.2000108.7I10 E303 W307 W393 T413 P453 Y464 K465 H482 A483 F485I10-Y415 HydrophobicContact CD1-CD1 4.22Å; I10-Y415 HydrophobicContact CD1-CE1 3.73Å; E303-Y415 PolarHBondContact OE1-OH 3.23Å; W307-Y415 HydrophobicContact CZ2-CD2 4.45Å; W307-Y415 AromaticContact CZ2-CE2 3.67Å; W307-Y415 HydrophobicContact CZ2-CE2 3.67Å; W307-Y415 AromaticContact CZ2-CZ 3.98Å; W307-Y415 AromaticContact NE1-CZ 3.87Å; W307-Y415 PolarHBondContact NE1-OH 3.04Å; W393-Y415 VanDerWaalsContact CH2-CB 3.41Å; W393-Y415 HydrophobicContact CH2-CG 4.49Å; T413-Y415 HydrophobicContact CG2-CE1 4.34Å; T413-Y415 HydrophobicContact CG2-CE2 4.36Å; Y415-P453 HydrophobicContact CD1-CB 4.24Å; Y415-P453 HydrophobicContact CD1-CG 3.58Å; Y415-P453 HydrophobicContact CD2-CG 3.9Å; Y415-P453 HydrophobicContact CE1-CB 4.46Å; Y415-P453 HydrophobicContact CE1-CG 3.74Å; Y415-P453 HydrophobicContact CE2-CG 4.05Å; Y415-P453 HydrophobicContact CG-CG 3.64Å; Y415-Y464 CarbonylContact C-O 3.53Å; Y415-Y464 VanDerWaalsContact CA-O 3.22Å; Y415-Y464 WeakPolarHBondContact CA-O 3.46Å; Y415-K465 HydrophobicContact CD1-CB 4.08Å; Y415-K465 HydrophobicContact CD1-CG 4.16Å; Y415-K465 HydrophobicContact CE1-CB 4.23Å; Y415-K465 HydrophobicContact CE1-CD 4.16Å; Y415-K465 HydrophobicContact CE1-CG 3.92Å; Y415-H482 WeakPolarHBondContact O-CA 3.32Å; Y415-H482 WeakPolarHBondContact O-CB 3.25Å; Y415-A483 PolarHBondContact N-O 3.35Å; Y415-A483 PolarHBondContact O-N 2.78Å; Y415-F485 HydrophobicContact CE2-CD1 4.26Å; Y415-F485 AromaticContact CE2-CE1 3.99Å; Y415-F485 HydrophobicContact CE2-CE1 3.99Å; Y415-F485 WeakPolarHBondContact OH-CE1 3.28Å
416G98.4Very high97.4Very high0 Ų028 Ų280%016%0.164CC..EExtended strand (participates in β ladder)trans-131137.3177.900000111.8V463 Y464 Y481G416-V463 WeakPolarHBondContact O-CA 3.5Å; G416-Y464 PolarHBondContact N-O 2.65Å; G416-Y464 PolarHBondContact O-N 3.02Å; G416-Y481 CarbonylContact C-O 3.49Å; G416-Y481 WeakPolarHBondContact CA-O 3.3Å
417V98.6Very high97.1Very high0 Ų033.4 Ų33.40%019%0.189CC..EExtended strand (participates in β ladder)trans-112.5127.2168.2175.40000106.6W393 A421 F425 V461 V463 S480 Y481W393-V417 HydrophobicContact CH2-CG2 3.93Å; W393-V417 HydrophobicContact CZ3-CG2 3.8Å; V417-A421 HydrophobicContact CG1-CB 4.02Å; V417-F425 HydrophobicContact CG1-CB 4.12Å; V417-F425 HydrophobicContact CG1-CD2 4.42Å; V417-F425 HydrophobicContact CG1-CG 4.45Å; V417-F425 HydrophobicContact CG2-CD2 3.92Å; V417-F425 HydrophobicContact CG2-CE2 4.23Å; V417-V461 HydrophobicContact CG1-CG1 3.89Å; V417-V461 HydrophobicContact CG2-CG1 4.17Å; V417-V463 HydrophobicContact CG2-CG2 4.09Å; V417-S480 CarbonylContact O-C 3.55Å; V417-S480 VanDerWaalsContact O-CA 3.23Å; V417-S480 WeakPolarHBondContact O-CA 3.42Å; V417-S480 VanDerWaalsContact O-CB 3.24Å; V417-S480 WeakPolarHBondContact O-CB 3.47Å; V417-Y481 PolarHBondContact N-O 3.17Å; V417-Y481 PolarHBondContact O-N 3.28Å; V417-Y481 VanDerWaalsContact O-N 3.14Å
418P98.4Very high96.8Very high4 Ų433 Ų333%0.02619%0.188CC..  trans-62146.9-179.925.3-33.7000112.1Q39 S420 A421 A422 P462Q39-P418 WeakPolarHBondContact O-CB 3.34Å; Q39-P418 WeakPolarHBondContact O-CG 3.39Å; P418-S420 PolarHBondContact O-N 3.29Å; P418-S420 VanDerWaalsContact O-N 3.14Å; P418-A421 HydrophobicContact CG-CB 3.97Å; P418-A421 WeakPolarHBondContact O-CA 3.39Å; P418-A421 PolarHBondContact O-N 3.19Å; P418-A422 PolarHBondContact O-N 3.04Å; P418-P462 HydrophobicContact CG-CB 4.42Å; P418-P462 HydrophobicContact CG-CG 3.8Å
419G97.5Very high96.4Very high12 Ų1230.8 Ų30.812%0.12418%0.178CC..G310 helixtrans-58.7-26.6178.600000114.4A421 A422 R479 S480G419-A421 PolarHBondContact O-N 3.23Å; G419-A422 VanDerWaalsContact O-CB 3.3Å; G419-A422 WeakPolarHBondContact O-CB 3.46Å; G419-A422 PolarHBondContact O-N 3.3Å; G419-R479 WeakPolarHBondContact CA-O 3.39Å; G419-S480 PolarHBondContact N-OG 3.19Å
420S97.2Very high95.9Very high116 Ų11634.4 Ų34.481%0.81118%0.183SC*.G310 helixtrans-68.4-17.3172.955.70000114.1P418P418-S420 PolarHBondContact O-N 3.29Å; P418-S420 VanDerWaalsContact O-N 3.14Å
421A98Very high95.4Very high10 Ų1036.9 Ų36.98%0.08320%0.196CC..G310 helixtrans-106.79.7176.500000113V417 P418 G419 E423 L424 F425 P462V417-A421 HydrophobicContact CG1-CB 4.02Å; P418-A421 HydrophobicContact CG-CB 3.97Å; P418-A421 WeakPolarHBondContact O-CA 3.39Å; P418-A421 PolarHBondContact O-N 3.19Å; G419-A421 PolarHBondContact O-N 3.23Å; A421-E423 PolarHBondContact O-N 2.81Å; A421-L424 PolarHBondContact O-N 2.88Å; A421-F425 WeakPolarHBondContact O-CB 3.5Å; A421-F425 PolarHBondContact O-N 2.79Å; A421-P462 HydrophobicContact CB-CG 3.63Å
422A95.8Very high94.8Very high0 Ų037.1 Ų37.10%020%0.195CC..Hα-helixtrans-58.1-45.4-178.100000112.6P418 G419 L424 F425 E426 R479 Y481P418-A422 PolarHBondContact O-N 3.04Å; G419-A422 VanDerWaalsContact O-CB 3.3Å; G419-A422 WeakPolarHBondContact O-CB 3.46Å; G419-A422 PolarHBondContact O-N 3.3Å; A422-L424 PolarHBondContact O-N 3.41Å; A422-F425 WeakPolarHBondContact O-CB 3.3Å; A422-F425 PolarHBondContact O-N 3.02Å; A422-E426 VanDerWaalsContact O-CG 3.27Å; A422-E426 WeakPolarHBondContact O-CG 3.27Å; A422-E426 PolarHBondContact O-N 2.97Å; A422-R479 HydrophobicContact CB-CG 3.79Å; A422-Y481 HydrophobicContact CB-CD2 4.13Å; A422-Y481 HydrophobicContact CB-CE2 3.97Å
423E93.8Very high93.9Very high124 Ų12436.9 Ų36.958%0.57920%0.195SC*.Hα-helixtrans-64.1-43.7179.2-66.7174.4-168.800111.7A421 F425 E426 E427 R479A421-E423 PolarHBondContact O-N 2.81Å; E423-F425 VanDerWaalsContact C-N 3.28Å; E423-F425 PolarHBondContact O-N 2.84Å; E423-E426 PolarHBondContact O-N 2.79Å; E423-E427 VanDerWaalsContact O-CB 3.3Å; E423-E427 WeakPolarHBondContact O-CB 3.39Å; E423-E427 PolarHBondContact O-N 3.22Å; E423-R479 IonicContact OE1-CZ 2.67Å; E423-R479 IonicContact OE1-NH1 2.75Å; E423-R479 PolarHBondContact OE1-NH1 3.1Å; E423-R479 IonicContact OE1-NH2 3.89Å; E423-R479 PolarHBondContact OE1-NH2 3.36Å
424L96.6Very high93Very high71 Ų7139.3 Ų39.337%0.37221%0.21SC..Hα-helixtrans-62.5-37.9175.6-17963.3000111.4A421 A422 T428 V461A421-L424 PolarHBondContact O-N 2.88Å; A422-L424 PolarHBondContact O-N 3.41Å; L424-T428 WeakPolarHBondContact O-CB 3.3Å; L424-T428 PolarHBondContact O-N 2.88Å; L424-T428 PolarHBondContact O-OG1 2.97Å; L424-V461 HydrophobicContact CD2-CG2 4.34Å; L424-V461 HydrophobicContact CG-CG2 3.99Å
425F95.7Very high91.9Very high0 Ų041 Ų410%022%0.218CC..Hα-helixtrans-65.6-49.2175.5169.9-91.3000111.7W393 V417 A421 A422 E423 T428 I429 M444 L456 V461 Y481W393-F425 HydrophobicContact CB-CE1 4.45Å; W393-F425 HydrophobicContact CB-CZ 3.68Å; W393-F425 AromaticContact CD2-CE2 3.92Å; W393-F425 HydrophobicContact CD2-CE2 3.92Å; W393-F425 AromaticContact CD2-CZ 3.85Å; W393-F425 HydrophobicContact CD2-CZ 3.85Å; W393-F425 HydrophobicContact CE3-CE2 4.19Å; W393-F425 HydrophobicContact CE3-CZ 4.18Å; W393-F425 HydrophobicContact CG-CE2 4.11Å; W393-F425 AromaticContact CG-CZ 3.64Å; W393-F425 HydrophobicContact CG-CZ 3.64Å; V417-F425 HydrophobicContact CG1-CB 4.12Å; V417-F425 HydrophobicContact CG1-CD2 4.42Å; V417-F425 HydrophobicContact CG1-CG 4.45Å; V417-F425 HydrophobicContact CG2-CD2 3.92Å; V417-F425 HydrophobicContact CG2-CE2 4.23Å; A421-F425 WeakPolarHBondContact O-CB 3.5Å; A421-F425 PolarHBondContact O-N 2.79Å; A422-F425 WeakPolarHBondContact O-CB 3.3Å; A422-F425 PolarHBondContact O-N 3.02Å; E423-F425 VanDerWaalsContact C-N 3.28Å; E423-F425 PolarHBondContact O-N 2.84Å; F425-T428 WeakPolarHBondContact O-CB 3.36Å; F425-T428 PolarHBondContact O-N 3.42Å; F425-I429 HydrophobicContact CD1-CD1 4.14Å; F425-I429 HydrophobicContact CD2-CD1 4.3Å; F425-I429 HydrophobicContact CE1-CD1 3.46Å; F425-I429 VanDerWaalsContact CE1-CD1 3.46Å; F425-I429 HydrophobicContact CE1-CG1 4.47Å; F425-I429 HydrophobicContact CE2-CD1 3.65Å; F425-I429 HydrophobicContact CE2-CG1 4.4Å; F425-I429 HydrophobicContact CZ-CD1 3.17Å; F425-I429 HydrophobicContact CZ-CG1 4.29Å; F425-I429 WeakPolarHBondContact O-CG1 3.46Å; F425-I429 PolarHBondContact O-N 3.11Å; F425-M444 HydrophobicContact CD1-CE 4.39Å; F425-M444 HydrophobicContact CE1-CE 3.44Å; F425-M444 VanDerWaalsContact CE1-CE 3.44Å; F425-M444 HydrophobicContact CZ-CE 4.09Å; F425-L456 HydrophobicContact CD2-CD1 3.99Å; F425-L456 HydrophobicContact CD2-CD2 4.05Å; F425-L456 HydrophobicContact CE2-CD1 3.64Å; F425-L456 HydrophobicContact CE2-CD2 4.14Å; F425-V461 HydrophobicContact CB-CG1 4.03Å; F425-V461 HydrophobicContact CD2-CG1 4.14Å; F425-Y481 AromaticContact CD1-CD1 3.93Å; F425-Y481 HydrophobicContact CD1-CD1 3.93Å; F425-Y481 AromaticContact CD1-CD2 3.37Å; F425-Y481 HydrophobicContact CD1-CD2 3.37Å; F425-Y481 HydrophobicContact CD1-CE1 4.13Å; F425-Y481 AromaticContact CD1-CE2 3.58Å; F425-Y481 HydrophobicContact CD1-CE2 3.58Å; F425-Y481 AromaticContact CD1-CG 3.54Å; F425-Y481 HydrophobicContact CD1-CG 3.54Å; F425-Y481 AromaticContact CD1-CZ 3.95Å; F425-Y481 AromaticContact CE1-CD1 3.29Å; F425-Y481 HydrophobicContact CE1-CD1 3.29Å; F425-Y481 AromaticContact CE1-CD2 3.67Å; F425-Y481 HydrophobicContact CE1-CD2 3.67Å; F425-Y481 AromaticContact CE1-CE1 3.6Å; F425-Y481 HydrophobicContact CE1-CE1 3.6Å; F425-Y481 AromaticContact CE1-CE2 3.93Å; F425-Y481 HydrophobicContact CE1-CE2 3.93Å; F425-Y481 AromaticContact CE1-CG 3.32Å; F425-Y481 HydrophobicContact CE1-CG 3.32Å; F425-Y481 AromaticContact CE1-CZ 3.9Å; F425-Y481 HydrophobicContact CG-CD2 4.13Å; F425-Y481 HydrophobicContact CG-CG 4.35Å; F425-Y481 AromaticContact CZ-CD1 3.97Å; F425-Y481 HydrophobicContact CZ-CD1 3.97Å; F425-Y481 AromaticContact CZ-CG 3.98Å; F425-Y481 HydrophobicContact CZ-CG 3.98Å
426E91.5Very high90.7Very high63 Ų6340.9 Ų40.929%0.29422%0.218SC..Hα-helixtrans-59.1-47.9176.9-70.7159.5-15800111.2A422 E423 T428 I429 K430 Y481A422-E426 VanDerWaalsContact O-CG 3.27Å; A422-E426 WeakPolarHBondContact O-CG 3.27Å; A422-E426 PolarHBondContact O-N 2.97Å; E423-E426 PolarHBondContact O-N 2.79Å; E426-T428 VanDerWaalsContact C-N 3.33Å; E426-T428 PolarHBondContact O-N 3.23Å; E426-I429 PolarHBondContact O-N 2.78Å; E426-K430 WeakPolarHBondContact O-CB 3.49Å; E426-K430 PolarHBondContact O-N 2.9Å; E426-Y481 HydrophobicContact CG-CE2 3.9Å; E426-Y481 WeakPolarHBondContact CG-OH 3.47Å; E426-Y481 WeakPolarHBondContact OE1-CE2 3.45Å; E426-Y481 PolarHBondContact OE1-OH 2.78Å
427E92Very high89.5Confident113 Ų11342.2 Ų42.253%0.52822%0.224SC..Hα-helixtrans-60.8-42.3175.9-168.3-168.716800111.3E423 K430 N431E423-E427 VanDerWaalsContact O-CB 3.3Å; E423-E427 WeakPolarHBondContact O-CB 3.39Å; E423-E427 PolarHBondContact O-N 3.22Å; E427-K430 PolarHBondContact O-N 3.44Å; E427-N431 WeakPolarHBondContact O-CB 3.35Å; E427-N431 PolarHBondContact O-N 3.38Å; E427-N431 PolarHBondContact O-ND2 3.43Å
428T92.4Very high88Confident12 Ų1248.4 Ų48.47%0.07426%0.257CS..Hα-helixtrans-62.4-46.5177.7-66.50000111.5L424 F425 E426 K430 N431 L432 L456 K459 V461L424-T428 WeakPolarHBondContact O-CB 3.3Å; L424-T428 PolarHBondContact O-N 2.88Å; L424-T428 PolarHBondContact O-OG1 2.97Å; F425-T428 WeakPolarHBondContact O-CB 3.36Å; F425-T428 PolarHBondContact O-N 3.42Å; E426-T428 VanDerWaalsContact C-N 3.33Å; E426-T428 PolarHBondContact O-N 3.23Å; T428-K430 VanDerWaalsContact C-N 3.33Å; T428-K430 PolarHBondContact O-N 2.67Å; T428-N431 PolarHBondContact O-N 3Å; T428-L432 HydrophobicContact CG2-CD1 3.9Å; T428-L432 HydrophobicContact CG2-CG 4.36Å; T428-L432 WeakPolarHBondContact O-CB 3.3Å; T428-L432 VanDerWaalsContact O-CG 3.22Å; T428-L432 WeakPolarHBondContact O-CG 3.23Å; T428-L432 PolarHBondContact O-N 3.18Å; T428-L456 HydrophobicContact CG2-CD2 4.06Å; T428-K459 HydrophobicContact CG2-CB 3.65Å; T428-K459 HydrophobicContact CG2-CG 3.91Å; T428-V461 HydrophobicContact CG2-CG2 4.07Å; T428-V461 WeakPolarHBondContact OG1-CG2 3.48Å
429I89Confident86.5Confident0 Ų052.5 Ų52.50%027%0.272CS..Hα-helixtrans-65.8-39.8178-63.8-174.9000110.6F425 E426 N431 L432 T433 F437 M444 V451 L456F425-I429 HydrophobicContact CD1-CD1 4.14Å; F425-I429 HydrophobicContact CD2-CD1 4.3Å; F425-I429 HydrophobicContact CE1-CD1 3.46Å; F425-I429 VanDerWaalsContact CE1-CD1 3.46Å; F425-I429 HydrophobicContact CE1-CG1 4.47Å; F425-I429 HydrophobicContact CE2-CD1 3.65Å; F425-I429 HydrophobicContact CE2-CG1 4.4Å; F425-I429 HydrophobicContact CZ-CD1 3.17Å; F425-I429 HydrophobicContact CZ-CG1 4.29Å; F425-I429 WeakPolarHBondContact O-CG1 3.46Å; F425-I429 PolarHBondContact O-N 3.11Å; E426-I429 PolarHBondContact O-N 2.78Å; I429-N431 VanDerWaalsContact C-N 3.34Å; I429-N431 PolarHBondContact O-N 2.79Å; I429-L432 PolarHBondContact O-N 2.79Å; I429-T433 PolarHBondContact O-N 3.46Å; I429-T433 PolarHBondContact O-OG1 3.4Å; I429-F437 HydrophobicContact CB-CE2 4.45Å; I429-F437 HydrophobicContact CB-CZ 4.3Å; I429-F437 HydrophobicContact CG2-CE2 3.83Å; I429-F437 HydrophobicContact CG2-CZ 3.89Å; I429-M444 HydrophobicContact CD1-CE 3.72Å; I429-M444 HydrophobicContact CD1-SD 4.03Å; I429-M444 HydrophobicContact CG2-SD 3.97Å; I429-V451 HydrophobicContact CD1-CG2 4.25Å; I429-V451 HydrophobicContact CG1-CG2 4.25Å; I429-L456 HydrophobicContact CG1-CD2 4.46Å
430K86.7Confident85Confident117 Ų11753 Ų5351%0.50927%0.271SS..Hα-helixtrans-59.7-42.7173.7-171.7177.6-179.3178.50112.1E426 E427 T428 T433 P434 F437E426-K430 WeakPolarHBondContact O-CB 3.49Å; E426-K430 PolarHBondContact O-N 2.9Å; E427-K430 PolarHBondContact O-N 3.44Å; T428-K430 VanDerWaalsContact C-N 3.33Å; T428-K430 PolarHBondContact O-N 2.67Å; K430-T433 CarbonylContact O-C 3.14Å; K430-T433 PolarHBondContact O-N 3.34Å; K430-P434 WeakPolarHBondContact O-CA 3.42Å; K430-P434 WeakPolarHBondContact O-CB 3.39Å; K430-P434 VanDerWaalsContact O-CD 3.26Å; K430-P434 WeakPolarHBondContact O-CD 3.3Å; K430-F437 HydrophobicContact CB-CD2 4.07Å; K430-F437 HydrophobicContact CB-CE2 3.92Å; K430-F437 HydrophobicContact CB-CG 4.46Å; K430-F437 HydrophobicContact CB-CZ 4.13Å; K430-F437 HydrophobicContact CG-CD2 4.09Å; K430-F437 HydrophobicContact CG-CE2 4.44Å; K430-F437 HydrophobicContact CG-CG 4.17Å
431N87.7Confident83.5Confident100 Ų10052.7 Ų52.754%0.53527%0.266SS..Hα-helixtrans-72.5-30.6177.6-72.5-24.4000113.1E427 T428 I429E427-N431 WeakPolarHBondContact O-CB 3.35Å; E427-N431 PolarHBondContact O-N 3.38Å; E427-N431 PolarHBondContact O-ND2 3.43Å; T428-N431 PolarHBondContact O-N 3Å; I429-N431 VanDerWaalsContact C-N 3.34Å; I429-N431 PolarHBondContact O-N 2.79Å
432L85.7Confident82Confident18 Ų1855.3 Ų55.39%0.09428%0.279CS..Hα-helixtrans-72.8-34.6174.6-74.8171.8000112.3L77 T428 I429 V451 I455L77-L432 HydrophobicContact CD2-CB 4.27Å; T428-L432 HydrophobicContact CG2-CD1 3.9Å; T428-L432 HydrophobicContact CG2-CG 4.36Å; T428-L432 WeakPolarHBondContact O-CB 3.3Å; T428-L432 VanDerWaalsContact O-CG 3.22Å; T428-L432 WeakPolarHBondContact O-CG 3.23Å; T428-L432 PolarHBondContact O-N 3.18Å; I429-L432 PolarHBondContact O-N 2.79Å; L432-V451 HydrophobicContact CD1-CG1 4.04Å; L432-I455 HydrophobicContact CD1-CG2 3.82Å; L432-I455 HydrophobicContact CD2-CG2 4.11Å
433T81.7Confident80.7Confident0 Ų055.3 Ų55.30%028%0.279CS..  trans-139.657.3-172.555.20000113A76 L77 V80 I429 K430 E435 L436 F437A76-T433 HydrophobicContact CB-CG2 3.93Å; L77-T433 HydrophobicContact CD2-CG2 3.83Å; L77-T433 HydrophobicContact CG-CG2 4.46Å; V80-T433 HydrophobicContact CG2-CG2 3.82Å; I429-T433 PolarHBondContact O-N 3.46Å; I429-T433 PolarHBondContact O-OG1 3.4Å; K430-T433 CarbonylContact O-C 3.14Å; K430-T433 PolarHBondContact O-N 3.34Å; T433-E435 PolarHBondContact O-N 2.88Å; T433-E435 VanDerWaalsContact O-N 3.15Å; T433-L436 VanDerWaalsContact O-CB 3.31Å; T433-L436 WeakPolarHBondContact O-CB 3.41Å; T433-L436 PolarHBondContact O-N 3.47Å; T433-F437 WeakPolarHBondContact O-CD2 3.44Å
434P79.2Confident79.5Confident51 Ų5150.1 Ų50.133%0.33126%0.255SS..Hα-helixtrans-59.5-33-175.123.6-33.8000112.5K430 L436 F437 N438K430-P434 WeakPolarHBondContact O-CA 3.42Å; K430-P434 WeakPolarHBondContact O-CB 3.39Å; K430-P434 VanDerWaalsContact O-CD 3.26Å; K430-P434 WeakPolarHBondContact O-CD 3.3Å; P434-L436 VanDerWaalsContact C-N 3.26Å; P434-L436 PolarHBondContact O-N 3.21Å; P434-F437 PolarHBondContact O-N 3.07Å; P434-N438 VanDerWaalsContact O-CG 3.32Å; P434-N438 PolarHBondContact O-N 2.77Å; P434-N438 VanDerWaalsContact O-N 3.1Å
435E74.4Confident77.8Confident48 Ų4849.2 Ų49.222%0.22425%0.249CC..Hα-helixtrans-61.7-35.3176.7-54.190.1156.200112V80 T433 N438 W439V80-E435 HydrophobicContact CG1-CB 3.97Å; V80-E435 HydrophobicContact CG1-CG 4.09Å; T433-E435 PolarHBondContact O-N 2.88Å; T433-E435 VanDerWaalsContact O-N 3.15Å; E435-N438 PolarHBondContact O-N 3.48Å; E435-W439 HydrophobicContact CB-CD2 4.36Å; E435-W439 HydrophobicContact CB-CH2 3.83Å; E435-W439 HydrophobicContact CB-CZ2 3.64Å; E435-W439 HydrophobicContact CB-CZ3 4.28Å; E435-W439 HydrophobicContact CG-CZ2 4.45Å; E435-W439 WeakPolarHBondContact O-CB 3.22Å; E435-W439 PolarHBondContact O-N 2.85Å
436L75.1Confident76.2Confident0 Ų052.5 Ų52.50%026%0.264CS..Hα-helixtrans-65.4-41.5-179.2-172.862.2000111.6A76 V80 T433 P434 W439 Q440 V443 T449A76-L436 HydrophobicContact CB-CD2 4.46Å; V80-L436 HydrophobicContact CG2-CB 4.11Å; T433-L436 VanDerWaalsContact O-CB 3.31Å; T433-L436 WeakPolarHBondContact O-CB 3.41Å; T433-L436 PolarHBondContact O-N 3.47Å; P434-L436 VanDerWaalsContact C-N 3.26Å; P434-L436 PolarHBondContact O-N 3.21Å; L436-W439 HydrophobicContact CD1-CE3 4.26Å; L436-W439 PolarHBondContact O-N 3.14Å; L436-Q440 PolarHBondContact O-N 3.22Å; L436-V443 HydrophobicContact CD1-CG2 4.08Å; L436-V443 HydrophobicContact CD2-CG1 4.3Å; L436-V443 HydrophobicContact CD2-CG2 3.81Å; L436-V443 HydrophobicContact CG-CB 4.28Å; L436-V443 HydrophobicContact CG-CG1 4.11Å; L436-V443 HydrophobicContact CG-CG2 3.79Å; L436-T449 HydrophobicContact CD2-CG2 4.09Å
437F72.3Confident75.3Confident27 Ų2753.1 Ų53.112%0.11827%0.269CS..Hα-helixtrans-72.5-32.1176.1-68.9-98.1000112.3I429 K430 T433 P434 W439 Q440 P441 V443 M444I429-F437 HydrophobicContact CB-CE2 4.45Å; I429-F437 HydrophobicContact CB-CZ 4.3Å; I429-F437 HydrophobicContact CG2-CE2 3.83Å; I429-F437 HydrophobicContact CG2-CZ 3.89Å; K430-F437 HydrophobicContact CB-CD2 4.07Å; K430-F437 HydrophobicContact CB-CE2 3.92Å; K430-F437 HydrophobicContact CB-CG 4.46Å; K430-F437 HydrophobicContact CB-CZ 4.13Å; K430-F437 HydrophobicContact CG-CD2 4.09Å; K430-F437 HydrophobicContact CG-CE2 4.44Å; K430-F437 HydrophobicContact CG-CG 4.17Å; T433-F437 WeakPolarHBondContact O-CD2 3.44Å; P434-F437 PolarHBondContact O-N 3.07Å; F437-W439 VanDerWaalsContact C-N 3.34Å; F437-Q440 CarbonylContact O-C 3.53Å; F437-Q440 VanDerWaalsContact O-C 3.22Å; F437-Q440 PolarHBondContact O-N 3.41Å; F437-P441 VanDerWaalsContact O-CA 3.24Å; F437-P441 WeakPolarHBondContact O-CA 3.47Å; F437-P441 WeakPolarHBondContact O-CD 3.17Å; F437-V443 HydrophobicContact CD1-CG1 4.02Å; F437-V443 HydrophobicContact CD2-CG1 4.42Å; F437-V443 HydrophobicContact CE1-CG1 3.91Å; F437-V443 HydrophobicContact CE2-CG1 4.28Å; F437-V443 HydrophobicContact CG-CG1 4.29Å; F437-V443 HydrophobicContact CZ-CG1 4.05Å; F437-M444 HydrophobicContact CE1-CG 3.7Å; F437-M444 HydrophobicContact CZ-CG 3.77Å; F437-M444 HydrophobicContact CZ-SD 4.05Å
438N67.6Low74.3Confident131 Ų13148 Ų4870%0.70125%0.245SC*.Hα-helixtrans-67.2-37.8173.1-69.2-15.2000111.7P434 E435P434-N438 VanDerWaalsContact O-CG 3.32Å; P434-N438 PolarHBondContact O-N 2.77Å; P434-N438 VanDerWaalsContact O-N 3.1Å; E435-N438 PolarHBondContact O-N 3.48Å
439W67.1Low73.8Confident90 Ų9047.5 Ų47.534%0.34124%0.242SC..Hα-helixtrans-74.5-34.3176.4-59.9-25.7000112.5V80 R83 E435 L436 F437V80-W439 HydrophobicContact CB-CH2 4.39Å; V80-W439 HydrophobicContact CB-CZ3 4.41Å; V80-W439 HydrophobicContact CG1-CH2 4Å; V80-W439 HydrophobicContact CG1-CZ3 4.44Å; V80-W439 HydrophobicContact CG2-CH2 4.49Å; V80-W439 HydrophobicContact CG2-CZ3 4.12Å; R83-W439 HydrophobicContact CB-CH2 3.74Å; R83-W439 HydrophobicContact CB-CZ2 4.49Å; R83-W439 HydrophobicContact CB-CZ3 4.05Å; R83-W439 VanDerWaalsContact CD-CH2 3.46Å; R83-W439 HydrophobicContact CG-CH2 3.69Å; R83-W439 HydrophobicContact CG-CZ2 3.97Å; R83-W439 HydrophobicContact CG-CZ3 4.15Å; E435-W439 HydrophobicContact CB-CD2 4.36Å; E435-W439 HydrophobicContact CB-CH2 3.83Å; E435-W439 HydrophobicContact CB-CZ2 3.64Å; E435-W439 HydrophobicContact CB-CZ3 4.28Å; E435-W439 HydrophobicContact CG-CZ2 4.45Å; E435-W439 WeakPolarHBondContact O-CB 3.22Å; E435-W439 PolarHBondContact O-N 2.85Å; L436-W439 HydrophobicContact CD1-CE3 4.26Å; L436-W439 PolarHBondContact O-N 3.14Å; F437-W439 VanDerWaalsContact C-N 3.34Å
440Q65.6Low73.9Confident22 Ų2247.6 Ų47.610%0.10324%0.243CC..  trans-149.592.4-175.2-171.2-174.5-18.300109.9L436 F437 D442 V443 H446L436-Q440 PolarHBondContact O-N 3.22Å; F437-Q440 CarbonylContact O-C 3.53Å; F437-Q440 VanDerWaalsContact O-C 3.22Å; F437-Q440 PolarHBondContact O-N 3.41Å; Q440-D442 WeakPolarHBondContact CG-OD1 3.47Å; Q440-D442 PolarHBondContact NE2-OD1 3.25Å; Q440-D442 PolarHBondContact O-N 3.39Å; Q440-V443 HydrophobicContact CB-CB 4.19Å; Q440-V443 HydrophobicContact CG-CB 4.15Å; Q440-V443 WeakPolarHBondContact O-CB 3.2Å; Q440-V443 PolarHBondContact O-N 2.91Å; Q440-V443 VanDerWaalsContact O-N 3.12Å; Q440-H446 PolarHBondContact NE2-CD2 2.87Å; Q440-H446 PolarHBondContact NE2-CE1 2.96Å; Q440-H446 PolarHBondContact NE2-ND1 2.87Å; Q440-H446 PolarHBondContact NE2-NE2 3.21Å; Q440-H446 VanDerWaalsContact NE2-NE2 3.13Å
441P66.1Low74.1Confident109 Ų10942.1 Ų42.171%0.70822%0.219SC*.THydrogen-bonded Turntrans-59-30.7-177.8-27.636.1000114F437F437-P441 VanDerWaalsContact O-CA 3.24Å; F437-P441 WeakPolarHBondContact O-CA 3.47Å; F437-P441 WeakPolarHBondContact O-CD 3.17Å
442D65.9Low74.4Confident66 Ų6639.1 Ų39.135%0.35320%0.203SC..THydrogen-bonded Turntrans-9418-179.666-12.1000113.7Q440 M444 H445 H446Q440-D442 WeakPolarHBondContact CG-OD1 3.47Å; Q440-D442 PolarHBondContact NE2-OD1 3.25Å; Q440-D442 PolarHBondContact O-N 3.39Å; D442-M444 PolarHBondContact O-N 3.48Å; D442-M444 VanDerWaalsContact O-N 3.08Å; D442-H445 WeakPolarHBondContact O-CA 3.46Å; D442-H445 VanDerWaalsContact O-CB 3.25Å; D442-H445 WeakPolarHBondContact O-CB 3.18Å; D442-H445 PolarHBondContact O-N 2.9Å; D442-H446 IonicContact OD1-NE2 2.71Å; D442-H446 IonicContact OD2-CD2 2.78Å; D442-H446 IonicContact OD2-NE2 3.16Å; D442-H446 PolarHBondContact OD2-NE2 3.01Å
443V68.4Low74.9Confident0 Ų038.2 Ų38.20%020%0.199CC..G310 helixtrans-55.9-32.6-174.666.30000114.1L436 F437 Q440 H445 H446L436-V443 HydrophobicContact CD1-CG2 4.08Å; L436-V443 HydrophobicContact CD2-CG1 4.3Å; L436-V443 HydrophobicContact CD2-CG2 3.81Å; L436-V443 HydrophobicContact CG-CB 4.28Å; L436-V443 HydrophobicContact CG-CG1 4.11Å; L436-V443 HydrophobicContact CG-CG2 3.79Å; F437-V443 HydrophobicContact CD1-CG1 4.02Å; F437-V443 HydrophobicContact CD2-CG1 4.42Å; F437-V443 HydrophobicContact CE1-CG1 3.91Å; F437-V443 HydrophobicContact CE2-CG1 4.28Å; F437-V443 HydrophobicContact CG-CG1 4.29Å; F437-V443 HydrophobicContact CZ-CG1 4.05Å; Q440-V443 HydrophobicContact CB-CB 4.19Å; Q440-V443 HydrophobicContact CG-CB 4.15Å; Q440-V443 WeakPolarHBondContact O-CB 3.2Å; Q440-V443 PolarHBondContact O-N 2.91Å; Q440-V443 VanDerWaalsContact O-N 3.12Å; V443-H445 PolarHBondContact O-N 3.29Å; V443-H446 PolarHBondContact O-N 3.34Å
444M68.2Low75.4Confident15 Ų1543 Ų437%0.07422%0.219CC..G310 helixtrans-68.6-18.6177.6-66-55.3-60.700112.6F425 I429 F437 D442 Y481F425-M444 HydrophobicContact CD1-CE 4.39Å; F425-M444 HydrophobicContact CE1-CE 3.44Å; F425-M444 VanDerWaalsContact CE1-CE 3.44Å; F425-M444 HydrophobicContact CZ-CE 4.09Å; I429-M444 HydrophobicContact CD1-CE 3.72Å; I429-M444 HydrophobicContact CD1-SD 4.03Å; I429-M444 HydrophobicContact CG2-SD 3.97Å; F437-M444 HydrophobicContact CE1-CG 3.7Å; F437-M444 HydrophobicContact CZ-CG 3.77Å; F437-M444 HydrophobicContact CZ-SD 4.05Å; D442-M444 PolarHBondContact O-N 3.48Å; D442-M444 VanDerWaalsContact O-N 3.08Å; M444-Y481 HydrophobicContact CE-CD1 4.32Å; M444-Y481 HydrophobicContact CE-CE1 3.7Å
445H62.4Low76.1Confident52 Ų5242.7 Ų42.724%0.24121%0.214CC..G310 helixtrans-86.4-16.7176.3-55.9144.5000113.1D442 V443 L447 D516D442-H445 WeakPolarHBondContact O-CA 3.46Å; D442-H445 VanDerWaalsContact O-CB 3.25Å; D442-H445 WeakPolarHBondContact O-CB 3.18Å; D442-H445 PolarHBondContact O-N 2.9Å; V443-H445 PolarHBondContact O-N 3.29Å; H445-L447 VanDerWaalsContact C-N 3.28Å; H445-L447 PolarHBondContact O-N 3.04Å; H445-D516 IonicContact CE1-OD2 3.22Å
446H61.2Low77.1Confident69 Ų6940.4 Ų40.432%0.31920%0.204SC..THydrogen-bonded Turntrans-832.1-175.6-78.5-146.4000114.2Q440 D442 V443 V448Q440-H446 PolarHBondContact NE2-CD2 2.87Å; Q440-H446 PolarHBondContact NE2-CE1 2.96Å; Q440-H446 PolarHBondContact NE2-ND1 2.87Å; Q440-H446 PolarHBondContact NE2-NE2 3.21Å; Q440-H446 VanDerWaalsContact NE2-NE2 3.13Å; D442-H446 IonicContact OD1-NE2 2.71Å; D442-H446 IonicContact OD2-CD2 2.78Å; D442-H446 IonicContact OD2-NE2 3.16Å; D442-H446 PolarHBondContact OD2-NE2 3.01Å; V443-H446 PolarHBondContact O-N 3.34Å; H446-V448 HydrophobicContact CB-CG2 3.78Å; H446-V448 WeakPolarHBondContact O-CG1 3.37Å; H446-V448 PolarHBondContact O-N 3.5Å
447L72.9Confident78Confident75 Ų7542.2 Ų42.239%0.39321%0.213SC..THydrogen-bonded Turntrans55.526.7174.7-42.7-178.9000114.7C392 H394 H445C392-L447 WeakPolarHBondContact CB-O 3.18Å; H394-L447 HydrophobicContact CB-CD2 3.12Å; H394-L447 HydrophobicContact CB-CG 4.45Å; H445-L447 VanDerWaalsContact C-N 3.28Å; H445-L447 PolarHBondContact O-N 3.04Å
448V70.5Confident79.1Confident5 Ų546.2 Ų46.23%0.0323%0.232CC..  trans-119-4.3-172.2-76.20000114.2R79 F264 F266 C392 H446R79-V448 PolarHBondContact NH1-O 3.22Å; R79-V448 VanDerWaalsContact NH1-O 3.09Å; R79-V448 PolarHBondContact NH2-O 3.17Å; F264-V448 HydrophobicContact CB-CG2 4.04Å; F266-V448 HydrophobicContact CD2-CG1 4.34Å; F266-V448 HydrophobicContact CE2-CG1 3.92Å; F266-V448 HydrophobicContact CZ-CG1 4.24Å; C392-V448 PolarHBondContact SG-O 3.45Å; H446-V448 HydrophobicContact CB-CG2 3.78Å; H446-V448 WeakPolarHBondContact O-CG1 3.37Å; H446-V448 PolarHBondContact O-N 3.5Å
449T82.3Confident80.3Confident3 Ų346 Ų462%0.01823%0.225CC..  trans-106.2120.6-168.3-59.10000111.6A76 R79 C392 W393 L436A76-T449 HydrophobicContact CB-CG2 3.43Å; A76-T449 VanDerWaalsContact CB-CG2 3.43Å; R79-T449 PolarHBondContact NH1-OG1 2.79Å; C392-T449 WeakPolarHBondContact CB-O 3.32Å; W393-T449 PolarHBondContact N-O 2.93Å; L436-T449 HydrophobicContact CD2-CG2 4.09Å
450L90.5Very high81.7Confident2 Ų244.1 Ų44.11%0.0123%0.234CC..BIsolated β-bridgetrans-111.8133.6177.7-16569000110.5L74 N75 A76 F306 W307 V310 T390 A483L74-L450 HydrophobicContact CB-CB 4.01Å; L74-L450 PolarHBondContact O-N 3.22Å; N75-L450 WeakPolarHBondContact CA-O 3.35Å; A76-L450 PolarHBondContact N-O 2.79Å; F306-L450 HydrophobicContact CE1-CD2 3.94Å; F306-L450 HydrophobicContact CZ-CD2 3.72Å; W307-L450 HydrophobicContact CH2-CD1 4.04Å; W307-L450 HydrophobicContact CH2-CD2 3.66Å; W307-L450 HydrophobicContact CH2-CG 3.75Å; W307-L450 HydrophobicContact CZ3-CD2 3.66Å; W307-L450 HydrophobicContact CZ3-CG 3.93Å; V310-L450 HydrophobicContact CG1-CD2 4.04Å; V310-L450 HydrophobicContact CG2-CD2 4.07Å; T390-L450 HydrophobicContact CG2-CD2 4.24Å; L450-A483 HydrophobicContact CD1-CB 3.99Å
451V91.7Very high83.2Confident2 Ų243.1 Ų43.11%0.01223%0.229CC..  trans-125.5136.7169.1177.80000106.8A76 W393 I429 L432 P453 I455 L456A76-V451 HydrophobicContact CB-CG2 3.8Å; W393-V451 PolarHBondContact NE1-O 3.37Å; I429-V451 HydrophobicContact CD1-CG2 4.25Å; I429-V451 HydrophobicContact CG1-CG2 4.25Å; L432-V451 HydrophobicContact CD1-CG1 4.04Å; V451-P453 WeakPolarHBondContact O-CD 3.35Å; V451-I455 HydrophobicContact CG1-CB 4.21Å; V451-I455 HydrophobicContact CG1-CG2 4.27Å; V451-L456 HydrophobicContact CG1-CD2 4.02Å; V451-L456 HydrophobicContact CG1-CG 4.07Å
452D93.4Very high84.7Confident36 Ų3639.9 Ų39.919%0.19321%0.208CC..  trans-59.5125.1178.2-172.5-32.6000110.1W307 K454 I455 L456W307-D452 HydrophobicContact CE3-CB 3.92Å; W307-D452 HydrophobicContact CH2-CB 4.37Å; W307-D452 VanDerWaalsContact CZ3-CA 3.48Å; W307-D452 HydrophobicContact CZ3-CB 3.84Å; D452-K454 PolarHBondContact O-N 3.1Å; D452-K454 VanDerWaalsContact O-N 3.07Å; D452-K454 WeakPolarHBondContact OD1-CB 3.5Å; D452-K454 PolarHBondContact OD1-N 3.06Å; D452-I455 HydrophobicContact CB-CD1 3.93Å; D452-I455 HydrophobicContact CB-CG1 4.05Å; D452-I455 WeakPolarHBondContact O-CB 3.27Å; D452-I455 PolarHBondContact O-N 3.33Å; D452-L456 PolarHBondContact O-N 3.01Å
453P95.8Very high86.2Confident0 Ų036.8 Ų36.80%019%0.192CC..Hα-helixtrans-45.3-34.6172.3-32.836.5000114.7I10 W307 W393 Y415 V451 I455 L456 L457 V463I10-P453 HydrophobicContact CD1-CB 3.51Å; I10-P453 HydrophobicContact CD1-CG 4.12Å; I10-P453 HydrophobicContact CG1-CB 4.13Å; W307-P453 HydrophobicContact CH2-CG 4.4Å; W307-P453 HydrophobicContact CZ2-CG 3.88Å; W393-P453 HydrophobicContact CZ2-CG 4.17Å; Y415-P453 HydrophobicContact CD1-CB 4.24Å; Y415-P453 HydrophobicContact CD1-CG 3.58Å; Y415-P453 HydrophobicContact CD2-CG 3.9Å; Y415-P453 HydrophobicContact CE1-CB 4.46Å; Y415-P453 HydrophobicContact CE1-CG 3.74Å; Y415-P453 HydrophobicContact CE2-CG 4.05Å; Y415-P453 HydrophobicContact CG-CG 3.64Å; V451-P453 WeakPolarHBondContact O-CD 3.35Å; P453-I455 VanDerWaalsContact C-N 3.34Å; P453-L456 WeakPolarHBondContact O-CB 3.47Å; P453-L456 PolarHBondContact O-N 3.12Å; P453-L457 WeakPolarHBondContact O-CG 3.45Å; P453-L457 PolarHBondContact O-N 3.12Å; P453-V463 HydrophobicContact CB-CB 4.45Å; P453-V463 HydrophobicContact CB-CG1 3.91Å; P453-V463 HydrophobicContact CG-CG1 4.47Å
454K93.9Very high87.7Confident99 Ų9939.1 Ų39.143%0.4320%0.201SC..Hα-helixtrans-66.8-37.3179.1-65.3177-179.4175.40112I10 D452 L456 L457 E458I10-K454 HydrophobicContact CG1-CG 4.48Å; D452-K454 PolarHBondContact O-N 3.1Å; D452-K454 VanDerWaalsContact O-N 3.07Å; D452-K454 WeakPolarHBondContact OD1-CB 3.5Å; D452-K454 PolarHBondContact OD1-N 3.06Å; K454-L456 VanDerWaalsContact C-N 3.3Å; K454-L456 PolarHBondContact O-N 3.14Å; K454-L457 PolarHBondContact O-N 3.36Å; K454-E458 WeakPolarHBondContact O-CB 3.18Å; K454-E458 VanDerWaalsContact O-CG 3.3Å; K454-E458 WeakPolarHBondContact O-CG 3.2Å; K454-E458 PolarHBondContact O-N 2.78Å
455I92.5Very high89.1Confident45 Ų4539 Ų3923%0.23120%0.2CC..Hα-helixtrans-65.3-38.8174.5-61.4172.5000109.9L77 L432 V451 D452 P453 E458 K459L77-I455 HydrophobicContact CD1-CD1 3.85Å; L432-I455 HydrophobicContact CD1-CG2 3.82Å; L432-I455 HydrophobicContact CD2-CG2 4.11Å; V451-I455 HydrophobicContact CG1-CB 4.21Å; V451-I455 HydrophobicContact CG1-CG2 4.27Å; D452-I455 HydrophobicContact CB-CD1 3.93Å; D452-I455 HydrophobicContact CB-CG1 4.05Å; D452-I455 WeakPolarHBondContact O-CB 3.27Å; D452-I455 PolarHBondContact O-N 3.33Å; P453-I455 VanDerWaalsContact C-N 3.34Å; I455-E458 PolarHBondContact O-N 3.49Å; I455-K459 VanDerWaalsContact O-CG 3.27Å; I455-K459 WeakPolarHBondContact O-CG 3.36Å; I455-K459 PolarHBondContact O-N 3.22Å
456L94.9Very high90.8Very high0 Ų036.6 Ų36.60%019%0.189CC..Hα-helixtrans-64.9-46.1176.8-64.5174.7000111.3W393 F425 T428 I429 V451 D452 P453 K454 E458 K459 G460 V461 V463W393-L456 HydrophobicContact CH2-CD1 4.35Å; W393-L456 HydrophobicContact CZ2-CD1 3.66Å; F425-L456 HydrophobicContact CD2-CD1 3.99Å; F425-L456 HydrophobicContact CD2-CD2 4.05Å; F425-L456 HydrophobicContact CE2-CD1 3.64Å; F425-L456 HydrophobicContact CE2-CD2 4.14Å; T428-L456 HydrophobicContact CG2-CD2 4.06Å; I429-L456 HydrophobicContact CG1-CD2 4.46Å; V451-L456 HydrophobicContact CG1-CD2 4.02Å; V451-L456 HydrophobicContact CG1-CG 4.07Å; D452-L456 PolarHBondContact O-N 3.01Å; P453-L456 WeakPolarHBondContact O-CB 3.47Å; P453-L456 PolarHBondContact O-N 3.12Å; K454-L456 VanDerWaalsContact C-N 3.3Å; K454-L456 PolarHBondContact O-N 3.14Å; L456-E458 PolarHBondContact O-N 3.37Å; L456-K459 CarbonylContact O-C 3.6Å; L456-K459 WeakPolarHBondContact O-CA 3.4Å; L456-K459 PolarHBondContact O-N 3.29Å; L456-G460 PolarHBondContact O-N 3.4Å; L456-V461 HydrophobicContact CB-CB 4.03Å; L456-V461 HydrophobicContact CB-CG1 4.39Å; L456-V461 WeakPolarHBondContact O-CB 3.19Å; L456-V461 PolarHBondContact O-N 3.2Å; L456-V463 HydrophobicContact CB-CG2 3.66Å; L456-V463 HydrophobicContact CD1-CG2 4.05Å
457L96Very high92.6Very high39 Ų3934.7 Ų34.720%0.20418%0.18CC..Hα-helixtrans-59.8-43.3174.8-71.8170.5000112.2F8 I10 P453 K454 K459 G460 V463F8-L457 HydrophobicContact CD1-CB 4.44Å; I10-L457 HydrophobicContact CB-CD1 4.26Å; I10-L457 HydrophobicContact CG1-CD1 3.82Å; I10-L457 HydrophobicContact CG2-CD1 4.43Å; P453-L457 WeakPolarHBondContact O-CG 3.45Å; P453-L457 PolarHBondContact O-N 3.12Å; K454-L457 PolarHBondContact O-N 3.36Å; L457-K459 PolarHBondContact O-N 2.95Å; L457-G460 PolarHBondContact O-N 3.23Å; L457-V463 HydrophobicContact CD2-CB 4.21Å; L457-V463 HydrophobicContact CD2-CG2 4.4Å; L457-V463 HydrophobicContact CG-CB 4.25Å; L457-V463 HydrophobicContact CG-CG2 4.27Å
458E93.9Very high93.8Very high111 Ų11131.1 Ų31.152%0.51916%0.161SC..Hα-helixtrans-59.2-27.6174.6-79174-170.700113.1F8 K454 I455 L456F8-E458 HydrophobicContact CD1-CG 3.79Å; F8-E458 HydrophobicContact CD2-CG 3.96Å; F8-E458 HydrophobicContact CE1-CB 4.31Å; F8-E458 HydrophobicContact CE1-CG 3.53Å; F8-E458 HydrophobicContact CE2-CG 3.69Å; F8-E458 HydrophobicContact CG-CG 4.01Å; F8-E458 HydrophobicContact CZ-CB 4.49Å; F8-E458 HydrophobicContact CZ-CG 3.48Å; F8-E458 VanDerWaalsContact CZ-CG 3.48Å; K454-E458 WeakPolarHBondContact O-CB 3.18Å; K454-E458 VanDerWaalsContact O-CG 3.3Å; K454-E458 WeakPolarHBondContact O-CG 3.2Å; K454-E458 PolarHBondContact O-N 2.78Å; I455-E458 PolarHBondContact O-N 3.49Å; L456-E458 PolarHBondContact O-N 3.37Å
459K93.3Very high95.1Very high125 Ų12536.9 Ų36.954%0.54319%0.186SC..THydrogen-bonded Turntrans-92.64.5177-64.4-65-179.9-173.50113.7T428 I455 L456 L457T428-K459 HydrophobicContact CG2-CB 3.65Å; T428-K459 HydrophobicContact CG2-CG 3.91Å; I455-K459 VanDerWaalsContact O-CG 3.27Å; I455-K459 WeakPolarHBondContact O-CG 3.36Å; I455-K459 PolarHBondContact O-N 3.22Å; L456-K459 CarbonylContact O-C 3.6Å; L456-K459 WeakPolarHBondContact O-CA 3.4Å; L456-K459 PolarHBondContact O-N 3.29Å; L457-K459 PolarHBondContact O-N 2.95Å
460G95.9Very high95.9Very high51 Ų5139.1 Ų39.153%0.52621%0.205SC..THydrogen-bonded Turntrans84.26.5177.900000114.6L456 L457L456-G460 PolarHBondContact O-N 3.4Å; L457-G460 PolarHBondContact O-N 3.23Å
461V97.2Very high96.2Very high1 Ų140 Ų401%0.00621%0.214CC..  trans-78.7122.1172.7179.40000108.6V417 L424 F425 T428 L456 V463V417-V461 HydrophobicContact CG1-CG1 3.89Å; V417-V461 HydrophobicContact CG2-CG1 4.17Å; L424-V461 HydrophobicContact CD2-CG2 4.34Å; L424-V461 HydrophobicContact CG-CG2 3.99Å; F425-V461 HydrophobicContact CB-CG1 4.03Å; F425-V461 HydrophobicContact CD2-CG1 4.14Å; T428-V461 HydrophobicContact CG2-CG2 4.07Å; T428-V461 WeakPolarHBondContact OG1-CG2 3.48Å; L456-V461 HydrophobicContact CB-CB 4.03Å; L456-V461 HydrophobicContact CB-CG1 4.39Å; L456-V461 WeakPolarHBondContact O-CB 3.19Å; L456-V461 PolarHBondContact O-N 3.2Å; V461-V463 HydrophobicContact CG1-CG2 4.49Å; V461-V463 PolarHBondContact O-N 3.23Å
462P97.6Very high96.6Very high42 Ų4240.9 Ų40.927%0.27322%0.218SC..  trans-67.4128.6175.727.3-33000110.3P418 A421 Y464P418-P462 HydrophobicContact CG-CB 4.42Å; P418-P462 HydrophobicContact CG-CG 3.8Å; A421-P462 HydrophobicContact CB-CG 3.63Å; P462-Y464 HydrophobicContact CB-CE2 4.27Å
463V98.2Very high96.8Very high1 Ų139.2 Ų39.21%0.00621%0.209CC..  trans-131.3134.7175-168.90000109.2I10 P11 W393 G416 V417 P453 L456 L457 V461I10-V463 HydrophobicContact CG2-CB 4.5Å; I10-V463 HydrophobicContact CG2-CG1 4.37Å; I10-V463 WeakPolarHBondContact CG2-O 3.43Å; P11-V463 VanDerWaalsContact CD-O 3.25Å; P11-V463 WeakPolarHBondContact CD-O 3.15Å; P11-V463 VanDerWaalsContact CG-O 3.25Å; P11-V463 WeakPolarHBondContact CG-O 3.39Å; W393-V463 HydrophobicContact CH2-CG1 3.93Å; G416-V463 WeakPolarHBondContact O-CA 3.5Å; V417-V463 HydrophobicContact CG2-CG2 4.09Å; P453-V463 HydrophobicContact CB-CB 4.45Å; P453-V463 HydrophobicContact CB-CG1 3.91Å; P453-V463 HydrophobicContact CG-CG1 4.47Å; L456-V463 HydrophobicContact CB-CG2 3.66Å; L456-V463 HydrophobicContact CD1-CG2 4.05Å; L457-V463 HydrophobicContact CD2-CB 4.21Å; L457-V463 HydrophobicContact CD2-CG2 4.4Å; L457-V463 HydrophobicContact CG-CB 4.25Å; L457-V463 HydrophobicContact CG-CG2 4.27Å; V461-V463 HydrophobicContact CG1-CG2 4.49Å; V461-V463 PolarHBondContact O-N 3.23Å
464Y98.5Very high97Very high48 Ų4839.2 Ų39.219%0.18821%0.209CC..EExtended strand (participates in β ladder)trans-117.6151.9174.8-59-89.3000110.7P11 Q39 Y40 Y415 G416 P462P11-Y464 HydrophobicContact CB-CD1 3.92Å; P11-Y464 HydrophobicContact CB-CE1 4.13Å; P11-Y464 HydrophobicContact CG-CD1 3.64Å; P11-Y464 HydrophobicContact CG-CE1 3.83Å; P11-Y464 HydrophobicContact CG-CG 4.41Å; P11-Y464 CarbonylContact O-C 3.38Å; P11-Y464 VanDerWaalsContact O-CA 3.28Å; P11-Y464 WeakPolarHBondContact O-CA 3.46Å; Q39-Y464 VanDerWaalsContact O-CE2 3.32Å; Q39-Y464 WeakPolarHBondContact O-CE2 3.47Å; Y40-Y464 AromaticContact CD1-CD1 3.55Å; Y40-Y464 HydrophobicContact CD1-CD1 3.55Å; Y40-Y464 HydrophobicContact CD1-CD2 4.23Å; Y40-Y464 AromaticContact CD1-CE1 3.49Å; Y40-Y464 HydrophobicContact CD1-CE1 3.49Å; Y40-Y464 VanDerWaalsContact CD1-CE1 3.49Å; Y40-Y464 HydrophobicContact CD1-CE2 4.19Å; Y40-Y464 AromaticContact CD1-CG 3.92Å; Y40-Y464 HydrophobicContact CD1-CG 3.92Å; Y40-Y464 AromaticContact CD1-CZ 3.83Å; Y40-Y464 HydrophobicContact CE1-CD1 4.13Å; Y40-Y464 AromaticContact CE1-CE1 3.76Å; Y40-Y464 HydrophobicContact CE1-CE1 3.76Å; Y40-Y464 WeakPolarHBondContact O-CD2 3.33Å; Y415-Y464 CarbonylContact C-O 3.53Å; Y415-Y464 VanDerWaalsContact CA-O 3.22Å; Y415-Y464 WeakPolarHBondContact CA-O 3.46Å; G416-Y464 PolarHBondContact N-O 2.65Å; G416-Y464 PolarHBondContact O-N 3.02Å; P462-Y464 HydrophobicContact CB-CE2 4.27Å
465K98.1Very high97.2Very high13 Ų1334.5 Ų34.56%0.05719%0.189CC..EExtended strand (participates in β ladder)trans-120147.1-178.3177.7-172167.1-161.20110.7I10 P11 E12 A13 D300 E303 T413 W414 Y415 H467I10-K465 HydrophobicContact CB-CB 4.24Å; I10-K465 HydrophobicContact CG2-CB 3.69Å; P11-K465 PolarHBondContact O-N 3.11Å; E12-K465 CarbonylContact C-O 3.59Å; E12-K465 VanDerWaalsContact CA-O 3.29Å; E12-K465 WeakPolarHBondContact CA-O 3.38Å; A13-K465 PolarHBondContact N-O 3.18Å; D300-K465 IonicContact OD1-NZ 3.53Å; E303-K465 IonicContact OE1-NZ 3.92Å; E303-K465 WeakPolarHBondContact OE2-CE 3.28Å; E303-K465 IonicContact OE2-NZ 2.65Å; E303-K465 PolarHBondContact OE2-NZ 2.87Å; T413-K465 HydrophobicContact CG2-CG 4.32Å; W414-K465 CarbonylContact O-C 3.59Å; W414-K465 VanDerWaalsContact O-CA 3.31Å; W414-K465 WeakPolarHBondContact O-CA 3.39Å; Y415-K465 HydrophobicContact CD1-CB 4.08Å; Y415-K465 HydrophobicContact CD1-CG 4.16Å; Y415-K465 HydrophobicContact CE1-CB 4.23Å; Y415-K465 HydrophobicContact CE1-CD 4.16Å; Y415-K465 HydrophobicContact CE1-CG 3.92Å; K465-H467 WeakPolarHBondContact CE-CE1 3.2Å; K465-H467 WeakPolarHBondContact CE-NE2 3.47Å; K465-H467 PolarHBondContact NZ-CE1 3.16Å; K465-H467 PolarHBondContact NZ-NE2 3.2Å
466L98.4Very high97.5Very high1 Ų132.4 Ų32.41%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-146.5158.7161.960.582.7000111.8A13 V42 K44 T413 W414 Q468 V474A13-L466 HydrophobicContact CB-CB 4.25Å; A13-L466 HydrophobicContact CB-CD2 3.88Å; A13-L466 HydrophobicContact CB-CG 4.46Å; V42-L466 HydrophobicContact CB-CD2 4.31Å; V42-L466 HydrophobicContact CG2-CD2 3.84Å; V42-L466 HydrophobicContact CG2-CG 4.38Å; K44-L466 HydrophobicContact CB-CD1 4.45Å; K44-L466 HydrophobicContact CB-CD2 3.93Å; T413-L466 WeakPolarHBondContact CA-O 3.03Å; W414-L466 HydrophobicContact CB-CD1 3.74Å; W414-L466 HydrophobicContact CB-CG 3.97Å; W414-L466 HydrophobicContact CG-CD1 3.87Å; W414-L466 PolarHBondContact N-O 2.91Å; W414-L466 PolarHBondContact O-N 2.65Å; L466-Q468 HydrophobicContact CD1-CB 4.34Å; L466-V474 HydrophobicContact CD1-CG2 3.64Å
467H98.4Very high97.6Very high29 Ų2932.6 Ų32.613%0.13418%0.179CC..EExtended strand (participates in β ladder)trans-108.1115.8167.2-60.3-64.4000110.2K44 D300 T413 K465K44-H467 PolarHBondContact NZ-O 3.38Å; D300-H467 IonicContact OD1-NE2 3.16Å; T413-H467 PolarHBondContact OG1-CE1 3.18Å; T413-H467 VanDerWaalsContact OG1-CE1 3.32Å; T413-H467 PolarHBondContact OG1-ND1 3.22Å; K465-H467 WeakPolarHBondContact CE-CE1 3.2Å; K465-H467 WeakPolarHBondContact CE-NE2 3.47Å; K465-H467 PolarHBondContact NZ-CE1 3.16Å; K465-H467 PolarHBondContact NZ-NE2 3.2Å
468Q98.7Very high97.7Very high0 Ų031.1 Ų31.10%017%0.172CC..EExtended strand (participates in β ladder)trans-85.6118.4172.1-177.4-173.822.200109.4S404 L406 A411 K412 L466 E472 V474S404-Q468 PolarHBondContact O-NE2 3.05Å; L406-Q468 HydrophobicContact CB-CG 3.89Å; L406-Q468 HydrophobicContact CD2-CG 4.21Å; L406-Q468 WeakPolarHBondContact CD2-O 3.5Å; A411-Q468 CarbonylContact C-O 3.58Å; A411-Q468 WeakPolarHBondContact CA-O 3.36Å; A411-Q468 WeakPolarHBondContact CB-O 3.34Å; K412-Q468 HydrophobicContact CB-CB 4.38Å; K412-Q468 PolarHBondContact N-O 2.81Å; K412-Q468 PolarHBondContact O-N 2.91Å; L466-Q468 HydrophobicContact CD1-CB 4.34Å; Q468-E472 HydrophobicContact CG-CB 4.24Å; Q468-E472 PolarHBondContact NE2-O 3.35Å; Q468-V474 HydrophobicContact CB-CG2 3.68Å; Q468-V474 HydrophobicContact CG-CG2 3.69Å
469K98.4Very high97.9Very high127 Ų12728.1 Ų28.155%0.55216%0.156SC*.PPolyproline II helixtrans-94162.3174-60.7-179.7177.5179.90110.6G471 E472K469-G471 PolarHBondContact O-N 2.95Å; K469-E472 HydrophobicContact CB-CG 4.29Å; K469-E472 WeakPolarHBondContact CB-OE2 3.39Å; K469-E472 PolarHBondContact N-OE2 3.07Å; K469-E472 VanDerWaalsContact O-CB 3.31Å; K469-E472 WeakPolarHBondContact O-CB 3.48Å; K469-E472 PolarHBondContact O-N 2.82Å; K469-E472 VanDerWaalsContact O-N 3.09Å
470A98.1Very high98.1Very high49 Ų4922.3 Ų22.341%0.40513%0.131SC..THydrogen-bonded Turntrans-55.4135.117500000110.6L406L406-A470 CarbonylContact O-C 3.57Å; L406-A470 WeakPolarHBondContact O-CA 3.46Å
471G97.9Very high98.2Very high21 Ų2120.3 Ų20.322%0.21611%0.108CC..THydrogen-bonded Turntrans89.1-2.7-174.600000115.1P47 Y405 L406 K469P47-G471 WeakPolarHBondContact CD-O 3.45Å; P47-G471 WeakPolarHBondContact CG-O 3.41Å; Y405-G471 WeakPolarHBondContact CE2-O 3.36Å; Y405-G471 WeakPolarHBondContact OH-CA 3.49Å; L406-G471 PolarHBondContact O-N 3.07Å; K469-G471 PolarHBondContact O-N 2.95Å
472E98.6Very high98.2Very high21 Ų2120.4 Ų20.410%0.09811%0.108CC..  trans-105.5149.6-177.1-57.6178.2156.800112K44 I46 L406 Q468 K469K44-E472 HydrophobicContact CD-CB 4.32Å; K44-E472 VanDerWaalsContact CD-CD 3.49Å; K44-E472 HydrophobicContact CD-CG 4.4Å; K44-E472 WeakPolarHBondContact CD-OE2 3.45Å; K44-E472 HydrophobicContact CG-CB 4.49Å; K44-E472 IonicContact NZ-OE1 2.63Å; K44-E472 IonicContact NZ-OE2 3.65Å; K44-E472 PolarHBondContact NZ-OE2 2.79Å; I46-E472 HydrophobicContact CG1-CG 4.27Å; L406-E472 PolarHBondContact N-O 3.02Å; L406-E472 VanDerWaalsContact N-O 3.14Å; Q468-E472 HydrophobicContact CG-CB 4.24Å; Q468-E472 PolarHBondContact NE2-O 3.35Å; K469-E472 HydrophobicContact CB-CG 4.29Å; K469-E472 WeakPolarHBondContact CB-OE2 3.39Å; K469-E472 PolarHBondContact N-OE2 3.07Å; K469-E472 VanDerWaalsContact O-CB 3.31Å; K469-E472 WeakPolarHBondContact O-CB 3.48Å; K469-E472 PolarHBondContact O-N 2.82Å; K469-E472 VanDerWaalsContact O-N 3.09Å
473F98.7Very high98.2Very high0 Ų018.4 Ų18.40%010%0.095CC..EExtended strand (participates in β ladder)trans-96.6150.6170.4-61.7-94000111F23 K44 V45 P47 W51 W354 L356 I403 S404 Y405F23-F473 HydrophobicContact CE2-CE2 4.48Å; F23-F473 HydrophobicContact CZ-CE2 4.42Å; K44-F473 CarbonylContact C-O 3.6Å; K44-F473 WeakPolarHBondContact CA-O 3.42Å; V45-F473 HydrophobicContact CB-CB 4.13Å; V45-F473 PolarHBondContact N-O 3.43Å; V45-F473 PolarHBondContact O-N 3.09Å; P47-F473 HydrophobicContact CB-CD2 4.36Å; P47-F473 HydrophobicContact CB-CE2 4.03Å; P47-F473 HydrophobicContact CG-CD2 4.22Å; P47-F473 HydrophobicContact CG-CE2 4.03Å; W51-F473 AromaticContact CD1-CE2 3.99Å; W51-F473 AromaticContact CE2-CZ 3.97Å; W51-F473 HydrophobicContact CZ2-CZ 4.16Å; W51-F473 AromaticContact NE1-CE2 3.56Å; W51-F473 AromaticContact NE1-CZ 3.48Å; W354-F473 HydrophobicContact CB-CZ 4.42Å; W354-F473 HydrophobicContact CE3-CD1 4.37Å; W354-F473 HydrophobicContact CE3-CD2 4.15Å; W354-F473 AromaticContact CE3-CE1 3.99Å; W354-F473 HydrophobicContact CE3-CE1 3.99Å; W354-F473 AromaticContact CE3-CE2 3.76Å; W354-F473 HydrophobicContact CE3-CE2 3.76Å; W354-F473 HydrophobicContact CE3-CG 4.45Å; W354-F473 AromaticContact CE3-CZ 3.67Å; W354-F473 HydrophobicContact CE3-CZ 3.67Å; W354-F473 HydrophobicContact CZ3-CD1 4.49Å; W354-F473 HydrophobicContact CZ3-CD2 4.08Å; W354-F473 HydrophobicContact CZ3-CE2 4.15Å; W354-F473 HydrophobicContact CZ3-CG 4.26Å; W354-F473 HydrophobicContact CZ3-CZ 4.38Å; L356-F473 HydrophobicContact CD2-CE1 4.1Å; I403-F473 HydrophobicContact CD1-CB 4.4Å; I403-F473 HydrophobicContact CD1-CD1 3.7Å; I403-F473 HydrophobicContact CD1-CE1 4.32Å; I403-F473 HydrophobicContact CD1-CG 4.31Å; I403-F473 HydrophobicContact CG1-CB 4.38Å; I403-F473 HydrophobicContact CG1-CD1 3.89Å; S404-F473 CarbonylContact O-C 3.55Å; S404-F473 WeakPolarHBondContact O-CA 3.03Å; Y405-F473 AromaticContact CD2-CD1 3.73Å; Y405-F473 HydrophobicContact CD2-CD1 3.73Å; Y405-F473 AromaticContact CD2-CD2 3.9Å; Y405-F473 HydrophobicContact CD2-CD2 3.9Å; Y405-F473 AromaticContact CD2-CE1 3.5Å; Y405-F473 HydrophobicContact CD2-CE1 3.5Å; Y405-F473 VanDerWaalsContact CD2-CE1 3.5Å; Y405-F473 AromaticContact CD2-CE2 3.67Å; Y405-F473 HydrophobicContact CD2-CE2 3.67Å; Y405-F473 AromaticContact CD2-CG 3.93Å; Y405-F473 HydrophobicContact CD2-CG 3.93Å; Y405-F473 AromaticContact CD2-CZ 3.46Å; Y405-F473 HydrophobicContact CD2-CZ 3.46Å; Y405-F473 VanDerWaalsContact CD2-CZ 3.46Å; Y405-F473 HydrophobicContact CE2-CD2 4.35Å; Y405-F473 HydrophobicContact CE2-CE1 4.42Å; Y405-F473 AromaticContact CE2-CE2 3.9Å; Y405-F473 HydrophobicContact CE2-CE2 3.9Å; Y405-F473 AromaticContact CE2-CZ 3.95Å; Y405-F473 HydrophobicContact CE2-CZ 3.95Å; Y405-F473 HydrophobicContact CG-CD1 4.22Å; Y405-F473 AromaticContact CG-CE1 3.93Å; Y405-F473 HydrophobicContact CG-CE1 3.93Å; Y405-F473 HydrophobicContact CG-CZ 4.23Å
474V98.8Very high98.2Very high0 Ų018.5 Ų18.50%010%0.096CC..EExtended strand (participates in β ladder)trans-124133.2164.6172.10000108V43 I403 S404 W414 L466 Q468V43-V474 CarbonylContact O-C 3.47Å; V43-V474 VanDerWaalsContact O-CA 3.32Å; V43-V474 WeakPolarHBondContact O-CA 3.15Å; I403-V474 CarbonylContact C-O 3.58Å; I403-V474 WeakPolarHBondContact CA-O 3.32Å; S404-V474 PolarHBondContact N-O 3.35Å; S404-V474 PolarHBondContact O-N 2.92Å; W414-V474 HydrophobicContact CD2-CG1 3.86Å; W414-V474 HydrophobicContact CE3-CG1 4.01Å; W414-V474 HydrophobicContact CG-CG1 4.33Å; W414-V474 HydrophobicContact CH2-CG1 4.4Å; W414-V474 HydrophobicContact CZ2-CB 4.3Å; W414-V474 HydrophobicContact CZ2-CG1 4.26Å; W414-V474 HydrophobicContact CZ3-CG1 4.26Å; L466-V474 HydrophobicContact CD1-CG2 3.64Å; Q468-V474 HydrophobicContact CB-CG2 3.68Å; Q468-V474 HydrophobicContact CG-CG2 3.69Å
475I98.7Very high98.2Very high1 Ų116.2 Ų16.21%0.0059%0.087CC..EExtended strand (participates in β ladder)trans-109.4135173.8-62.9160.4000108.1I30 L33 V42 V43 V45 Y401 S402 I403I30-I475 HydrophobicContact CG1-CD1 3.82Å; L33-I475 HydrophobicContact CD1-CD1 3.86Å; V42-I475 VanDerWaalsContact CA-O 3.28Å; V42-I475 WeakPolarHBondContact CA-O 3.1Å; V43-I475 HydrophobicContact CG2-CB 3.96Å; V43-I475 HydrophobicContact CG2-CD1 4.44Å; V43-I475 PolarHBondContact N-O 2.77Å; V43-I475 PolarHBondContact O-N 2.92Å; V45-I475 HydrophobicContact CG2-CD1 3.69Å; V45-I475 HydrophobicContact CG2-CG1 4.48Å; Y401-I475 HydrophobicContact CD1-CG2 4.29Å; S402-I475 CarbonylContact O-C 3.57Å; S402-I475 VanDerWaalsContact O-CA 3.29Å; S402-I475 WeakPolarHBondContact O-CA 3.35Å; I403-I475 HydrophobicContact CB-CG1 4.45Å; I403-I475 HydrophobicContact CD1-CG1 4.22Å; I403-I475 HydrophobicContact CG1-CG1 4.11Å
476T98.6Very high98.3Very high1 Ų115.6 Ų15.61%0.0068%0.084CC..EExtended strand (participates in β ladder)trans-105.3139167.476.10000108.9V42 Y401 S402 W414V42-T476 HydrophobicContact CG1-CG2 4.06Å; Y401-T476 WeakPolarHBondContact CA-O 3.32Å; S402-T476 PolarHBondContact N-O 2.92Å; S402-T476 PolarHBondContact N-OG1 3.21Å; S402-T476 VanDerWaalsContact N-OG1 3.17Å; S402-T476 PolarHBondContact O-N 2.92Å; S402-T476 WeakPolarHBondContact OG-CG2 3.49Å; S402-T476 PolarHBondContact OG-OG1 3.18Å; W414-T476 HydrophobicContact CZ3-CG2 3.89Å
477F98.5Very high98.3Very high3 Ų315.7 Ų15.71%0.0138%0.084CC..  trans-91.1160.7-178.8-67.8-82.9000111.7L33 Y37 A38 G41 V43 Y401 R479 S480L33-F477 HydrophobicContact CB-CE1 4.23Å; L33-F477 HydrophobicContact CB-CZ 4.2Å; Y37-F477 VanDerWaalsContact O-CE2 3.31Å; Y37-F477 WeakPolarHBondContact O-CE2 3.29Å; A38-F477 HydrophobicContact CB-CB 4.36Å; A38-F477 HydrophobicContact CB-CD1 4Å; A38-F477 HydrophobicContact CB-CE1 4.5Å; A38-F477 HydrophobicContact CB-CG 4.08Å; G41-F477 WeakPolarHBondContact O-CD2 3.42Å; G41-F477 PolarHBondContact O-N 2.88Å; V43-F477 HydrophobicContact CB-CE2 4.4Å; V43-F477 HydrophobicContact CG1-CE2 4Å; V43-F477 HydrophobicContact CG1-CZ 4.38Å; V43-F477 HydrophobicContact CG2-CE2 3.78Å; V43-F477 HydrophobicContact CG2-CZ 3.81Å; Y401-F477 HydrophobicContact CD1-CD1 4.15Å; Y401-F477 AromaticContact CE1-CD1 3.62Å; Y401-F477 HydrophobicContact CE1-CD1 3.62Å; Y401-F477 HydrophobicContact CE1-CE1 4.16Å; F477-R479 PolarHBondContact O-N 3.09Å; F477-S480 WeakPolarHBondContact O-CB 3.37Å; F477-S480 PolarHBondContact O-N 2.96Å; F477-S480 VanDerWaalsContact O-N 3.12Å; F477-S480 PolarHBondContact O-OG 3.48Å; F477-S480 VanDerWaalsContact O-OG 3.12Å
478P98Very high98.3Very high8 Ų814.3 Ų14.35%0.0528%0.078CC..THydrogen-bonded Turntrans-49.4140.6175.4-31.637.5000113.1W399 Y401 S480 F505W399-P478 HydrophobicContact CB-CB 4.45Å; W399-P478 VanDerWaalsContact O-CA 3.3Å; W399-P478 WeakPolarHBondContact O-CA 3.29Å; W399-P478 VanDerWaalsContact O-CB 3.25Å; W399-P478 WeakPolarHBondContact O-CB 3.2Å; Y401-P478 HydrophobicContact CD2-CG 3.61Å; Y401-P478 HydrophobicContact CE1-CG 4.22Å; Y401-P478 VanDerWaalsContact CE2-CD 3.42Å; Y401-P478 HydrophobicContact CE2-CG 3.14Å; Y401-P478 HydrophobicContact CG-CG 4.26Å; Y401-P478 VanDerWaalsContact CZ-CG 3.48Å; P478-S480 PolarHBondContact O-N 2.88Å; P478-S480 PolarHBondContact O-OG 2.86Å; P478-F505 HydrophobicContact CB-CB 4.01Å; P478-F505 HydrophobicContact CB-CD1 3.74Å; P478-F505 HydrophobicContact CB-CD2 3.91Å; P478-F505 HydrophobicContact CB-CE1 4.13Å; P478-F505 HydrophobicContact CB-CE2 4.28Å; P478-F505 HydrophobicContact CB-CG 3.61Å; P478-F505 HydrophobicContact CB-CZ 4.38Å; P478-F505 HydrophobicContact CG-CD2 3.91Å; P478-F505 HydrophobicContact CG-CE2 4.18Å; P478-F505 HydrophobicContact CG-CG 4.12Å
479R96.7Very high98.3Very high49 Ų4915 Ų1519%0.1858%0.081CC..THydrogen-bonded Turntrans56.87179.3-159.9175.5-177.5-168.9-2.7114.5T395 W399 G419 A422 E423 F477T395-R479 WeakPolarHBondContact CG2-O 3.35Å; W399-R479 HydrophobicContact CB-CB 4.44Å; W399-R479 HydrophobicContact CD2-CB 3.82Å; W399-R479 HydrophobicContact CD2-CG 3.82Å; W399-R479 HydrophobicContact CE3-CB 4.14Å; W399-R479 HydrophobicContact CE3-CG 4.19Å; W399-R479 HydrophobicContact CG-CB 3.96Å; W399-R479 HydrophobicContact CG-CG 4.3Å; W399-R479 HydrophobicContact CH2-CG 4.28Å; W399-R479 HydrophobicContact CZ2-CG 3.91Å; W399-R479 HydrophobicContact CZ3-CG 4.4Å; G419-R479 WeakPolarHBondContact CA-O 3.39Å; A422-R479 HydrophobicContact CB-CG 3.79Å; E423-R479 IonicContact OE1-CZ 2.67Å; E423-R479 IonicContact OE1-NH1 2.75Å; E423-R479 PolarHBondContact OE1-NH1 3.1Å; E423-R479 IonicContact OE1-NH2 3.89Å; E423-R479 PolarHBondContact OE1-NH2 3.36Å; F477-R479 PolarHBondContact O-N 3.09Å
480S97.7Very high98.3Very high3 Ų38.9 Ų8.92%0.0216%0.055CC..  trans-83.5121.3-176.6-58.10000110.5G41 V417 G419 F477 P478 H482G41-S480 WeakPolarHBondContact CA-OG 3.25Å; G41-S480 WeakPolarHBondContact O-CB 3.38Å; V417-S480 CarbonylContact O-C 3.55Å; V417-S480 VanDerWaalsContact O-CA 3.23Å; V417-S480 WeakPolarHBondContact O-CA 3.42Å; V417-S480 VanDerWaalsContact O-CB 3.24Å; V417-S480 WeakPolarHBondContact O-CB 3.47Å; G419-S480 PolarHBondContact N-OG 3.19Å; F477-S480 WeakPolarHBondContact O-CB 3.37Å; F477-S480 PolarHBondContact O-N 2.96Å; F477-S480 VanDerWaalsContact O-N 3.12Å; F477-S480 PolarHBondContact O-OG 3.48Å; F477-S480 VanDerWaalsContact O-OG 3.12Å; P478-S480 PolarHBondContact O-N 2.88Å; P478-S480 PolarHBondContact O-OG 2.86Å; S480-H482 PolarHBondContact O-ND1 3.27Å
481Y98Very high98.3Very high9 Ų96.6 Ų6.64%0.0354%0.035CC..EExtended strand (participates in β ladder)trans-72.7134.2174.7-81.1-85.4000109.9W393 H394 T395 G416 V417 A422 F425 E426 M444W393-Y481 WeakPolarHBondContact CZ3-O 3.49Å; H394-Y481 CarbonylContact O-C 3.5Å; H394-Y481 VanDerWaalsContact O-CA 3.3Å; H394-Y481 WeakPolarHBondContact O-CA 3.5Å; T395-Y481 HydrophobicContact CG2-CD1 3.97Å; T395-Y481 HydrophobicContact CG2-CD2 3.88Å; T395-Y481 HydrophobicContact CG2-CE1 4Å; T395-Y481 HydrophobicContact CG2-CE2 3.92Å; T395-Y481 HydrophobicContact CG2-CG 3.92Å; G416-Y481 CarbonylContact C-O 3.49Å; G416-Y481 WeakPolarHBondContact CA-O 3.3Å; V417-Y481 PolarHBondContact N-O 3.17Å; V417-Y481 PolarHBondContact O-N 3.28Å; V417-Y481 VanDerWaalsContact O-N 3.14Å; A422-Y481 HydrophobicContact CB-CD2 4.13Å; A422-Y481 HydrophobicContact CB-CE2 3.97Å; F425-Y481 AromaticContact CD1-CD1 3.93Å; F425-Y481 HydrophobicContact CD1-CD1 3.93Å; F425-Y481 AromaticContact CD1-CD2 3.37Å; F425-Y481 HydrophobicContact CD1-CD2 3.37Å; F425-Y481 HydrophobicContact CD1-CE1 4.13Å; F425-Y481 AromaticContact CD1-CE2 3.58Å; F425-Y481 HydrophobicContact CD1-CE2 3.58Å; F425-Y481 AromaticContact CD1-CG 3.54Å; F425-Y481 HydrophobicContact CD1-CG 3.54Å; F425-Y481 AromaticContact CD1-CZ 3.95Å; F425-Y481 AromaticContact CE1-CD1 3.29Å; F425-Y481 HydrophobicContact CE1-CD1 3.29Å; F425-Y481 AromaticContact CE1-CD2 3.67Å; F425-Y481 HydrophobicContact CE1-CD2 3.67Å; F425-Y481 AromaticContact CE1-CE1 3.6Å; F425-Y481 HydrophobicContact CE1-CE1 3.6Å; F425-Y481 AromaticContact CE1-CE2 3.93Å; F425-Y481 HydrophobicContact CE1-CE2 3.93Å; F425-Y481 AromaticContact CE1-CG 3.32Å; F425-Y481 HydrophobicContact CE1-CG 3.32Å; F425-Y481 AromaticContact CE1-CZ 3.9Å; F425-Y481 HydrophobicContact CG-CD2 4.13Å; F425-Y481 HydrophobicContact CG-CG 4.35Å; F425-Y481 AromaticContact CZ-CD1 3.97Å; F425-Y481 HydrophobicContact CZ-CD1 3.97Å; F425-Y481 AromaticContact CZ-CG 3.98Å; F425-Y481 HydrophobicContact CZ-CG 3.98Å; E426-Y481 HydrophobicContact CG-CE2 3.9Å; E426-Y481 WeakPolarHBondContact CG-OH 3.47Å; E426-Y481 WeakPolarHBondContact OE1-CE2 3.45Å; E426-Y481 PolarHBondContact OE1-OH 2.78Å; M444-Y481 HydrophobicContact CE-CD1 4.32Å; M444-Y481 HydrophobicContact CE-CE1 3.7Å
482H98.2Very high98.3Very high3 Ų35.6 Ų5.61%0.0143%0.025CC..EExtended strand (participates in β ladder)trans-140.8149.1176.961.4-84.1000112.1V42 C392 W393 H394 E396 W414 Y415 S480V42-H482 HydrophobicContact CG1-CB 4.07Å; C392-H482 VanDerWaalsContact O-O 3.1Å; W393-H482 VanDerWaalsContact CA-O 3.28Å; W393-H482 WeakPolarHBondContact CA-O 3.44Å; W393-H482 VanDerWaalsContact CE3-C 3.45Å; H394-H482 AromaticContact CD2-CE1 3.91Å; H394-H482 AromaticContact CD2-NE2 3.85Å; H394-H482 AromaticContact CE1-CD2 3.61Å; H394-H482 AromaticContact CE1-CE1 3.9Å; H394-H482 AromaticContact CE1-NE2 3.16Å; H394-H482 PolarHBondContact CE1-NE2 3.37Å; H394-H482 PolarHBondContact N-O 3.06Å; H394-H482 AromaticContact ND1-NE2 3.85Å; H394-H482 PolarHBondContact ND1-O 3.11Å; H394-H482 AromaticContact NE2-CE1 3.69Å; H394-H482 AromaticContact NE2-NE2 3.18Å; H394-H482 PolarHBondContact NE2-NE2 3.33Å; H394-H482 VanDerWaalsContact NE2-NE2 3.18Å; H394-H482 PolarHBondContact O-N 3Å; H394-H482 PolarHBondContact O-ND1 2.84Å; E396-H482 IonicContact OE1-CE1 3.04Å; E396-H482 PolarHBondContact OE1-CE1 2.64Å; E396-H482 IonicContact OE1-NE2 3.95Å; E396-H482 PolarHBondContact OE1-NE2 3.05Å; W414-H482 AromaticContact CZ3-CD2 3.6Å; Y415-H482 WeakPolarHBondContact O-CA 3.32Å; Y415-H482 WeakPolarHBondContact O-CB 3.25Å; S480-H482 PolarHBondContact O-ND1 3.27Å
483A97.9Very high98.3Very high0 Ų04.6 Ų4.60%02%0.02CC..EExtended strand (participates in β ladder)trans-148.9168.3179.100000109.7F391 W393 W414 Y415 L450F391-A483 WeakPolarHBondContact CE2-O 3.41Å; F391-A483 WeakPolarHBondContact O-CA 3.07Å; W393-A483 HydrophobicContact CB-CB 4.38Å; W393-A483 HydrophobicContact CD2-CB 3.39Å; W393-A483 HydrophobicContact CE3-CB 3.62Å; W393-A483 HydrophobicContact CG-CB 3.75Å; W393-A483 HydrophobicContact CH2-CB 4.4Å; W393-A483 HydrophobicContact CZ2-CB 4.2Å; W393-A483 HydrophobicContact CZ3-CB 4.12Å; W414-A483 CarbonylContact C-O 3.59Å; Y415-A483 PolarHBondContact N-O 3.35Å; Y415-A483 PolarHBondContact O-N 2.78Å; L450-A483 HydrophobicContact CD1-CB 3.99Å
484G97.9Very high98.3Very high2 Ų25.2 Ų5.22%0.0213%0.026CC..EExtended strand (participates in β ladder)trans169.1-177.5177.100000114.4T390 F391 T413T390-G484 WeakPolarHBondContact CA-O 3.42Å; T390-G484 WeakPolarHBondContact CG2-O 3.48Å; F391-G484 VanDerWaalsContact CD1-O 3.32Å; F391-G484 WeakPolarHBondContact CD1-O 3.44Å; F391-G484 VanDerWaalsContact CE1-CA 3.49Å; F391-G484 PolarHBondContact N-O 2.62Å; F391-G484 PolarHBondContact O-N 2.72Å; F391-G484 VanDerWaalsContact O-O 3.13Å; T413-G484 CarbonylContact O-C 3.55Å; T413-G484 WeakPolarHBondContact O-CA 3.41Å
485F98.5Very high98.2Very high0 Ų05.4 Ų5.40%03%0.027CC..EExtended strand (participates in β ladder)trans-147.1161.7-177.163.1-89.7000111.7V302 E303 F306 S389 T413 Y415V302-F485 HydrophobicContact CG1-CD2 4.41Å; V302-F485 HydrophobicContact CG1-CE2 3.92Å; E303-F485 HydrophobicContact CB-CZ 3.75Å; E303-F485 HydrophobicContact CG-CE1 4.27Å; E303-F485 HydrophobicContact CG-CZ 3.91Å; F306-F485 HydrophobicContact CB-CE1 4.48Å; F306-F485 HydrophobicContact CB-CE2 4.36Å; F306-F485 HydrophobicContact CB-CZ 4.35Å; F306-F485 AromaticContact CD1-CD1 3.43Å; F306-F485 HydrophobicContact CD1-CD1 3.43Å; F306-F485 VanDerWaalsContact CD1-CD1 3.43Å; F306-F485 AromaticContact CD1-CE1 3.57Å; F306-F485 HydrophobicContact CD1-CE1 3.57Å; F306-F485 AromaticContact CD1-CG 4Å; F306-F485 HydrophobicContact CD1-CG 4Å; F306-F485 HydrophobicContact CD1-CZ 4.26Å; F306-F485 HydrophobicContact CD2-CB 4.28Å; F306-F485 HydrophobicContact CD2-CD1 4.35Å; F306-F485 HydrophobicContact CD2-CD2 4.46Å; F306-F485 HydrophobicContact CD2-CG 4.1Å; F306-F485 HydrophobicContact CE1-CB 4.41Å; F306-F485 AromaticContact CE1-CD1 3.47Å; F306-F485 HydrophobicContact CE1-CD1 3.47Å; F306-F485 VanDerWaalsContact CE1-CD1 3.47Å; F306-F485 HydrophobicContact CE1-CE1 4.01Å; F306-F485 HydrophobicContact CE1-CG 4.1Å; F306-F485 HydrophobicContact CE2-CB 3.98Å; F306-F485 HydrophobicContact CE2-CD1 4.39Å; F306-F485 HydrophobicContact CE2-CG 4.21Å; F306-F485 AromaticContact CG-CD1 3.88Å; F306-F485 HydrophobicContact CG-CD1 3.88Å; F306-F485 HydrophobicContact CG-CD2 4.26Å; F306-F485 HydrophobicContact CG-CE1 4.09Å; F306-F485 HydrophobicContact CG-CE2 4.47Å; F306-F485 AromaticContact CG-CG 3.98Å; F306-F485 HydrophobicContact CG-CG 3.98Å; F306-F485 HydrophobicContact CG-CZ 4.4Å; F306-F485 HydrophobicContact CZ-CB 4.03Å; F306-F485 AromaticContact CZ-CD1 3.96Å; F306-F485 HydrophobicContact CZ-CD1 3.96Å; F306-F485 HydrophobicContact CZ-CG 4.19Å; S389-F485 CarbonylContact O-C 3.22Å; S389-F485 WeakPolarHBondContact O-CA 3.34Å; S389-F485 WeakPolarHBondContact O-CB 3.39Å; T413-F485 HydrophobicContact CG2-CE1 3.87Å; T413-F485 HydrophobicContact CG2-CZ 3.89Å; T413-F485 PolarHBondContact N-O 2.95Å; T413-F485 PolarHBondContact O-N 2.86Å; Y415-F485 HydrophobicContact CE2-CD1 4.26Å; Y415-F485 AromaticContact CE2-CE1 3.99Å; Y415-F485 HydrophobicContact CE2-CE1 3.99Å; Y415-F485 WeakPolarHBondContact OH-CE1 3.28Å
486N98.8Very high98.2Very high0 Ų05.4 Ų5.40%03%0.027CC..EExtended strand (participates in β ladder)trans-93136.1179-59.8-72.1000110.7M386 C387 F388 S389 K412 G488 N490M386-N486 WeakPolarHBondContact O-CB 3.35Å; C387-N486 WeakPolarHBondContact CA-O 3.46Å; F388-N486 PolarHBondContact N-O 2.92Å; S389-N486 PolarHBondContact O-N 3.33Å; S389-N486 PolarHBondContact O-ND2 2.99Å; S389-N486 WeakPolarHBondContact OG-CB 3.44Å; S389-N486 PolarHBondContact OG-ND2 3.24Å; K412-N486 WeakPolarHBondContact CE-OD1 3.24Å; K412-N486 PolarHBondContact NZ-OD1 2.71Å; N486-G488 PolarHBondContact O-N 3.32Å; N486-N490 PolarHBondContact OD1-ND2 3.43Å; N486-N490 PolarHBondContact OD1-OD1 3.26Å; N486-N490 VanDerWaalsContact OD1-OD1 3.05Å
487N98.7Very high98.1Very high3 Ų35.4 Ų5.42%0.0163%0.027CC..SBendtrans-80.4-3.7179.6-67.4-91.2000113.2K286 C299 V302 D410 A411 T413K286-N487 WeakPolarHBondContact CD-O 3.3Å; K286-N487 VanDerWaalsContact CE-O 3.23Å; K286-N487 WeakPolarHBondContact CE-O 3.31Å; K286-N487 PolarHBondContact NZ-O 2.97Å; C299-N487 WeakPolarHBondContact CA-OD1 3.31Å; V302-N487 WeakPolarHBondContact CB-OD1 3.16Å; V302-N487 HydrophobicContact CG1-CB 4.47Å; V302-N487 HydrophobicContact CG2-CB 4.45Å; D410-N487 HydrophobicContact CB-CB 4.41Å; A411-N487 WeakPolarHBondContact O-CB 3.5Å; A411-N487 PolarHBondContact O-N 3.36Å; A411-N487 PolarHBondContact O-ND2 2.9Å; T413-N487 PolarHBondContact OG1-ND2 3.09Å
488G98.6Very high98.1Very high0 Ų05.3 Ų5.30%03%0.026CC..SBendtrans166-153.6-176.500000110.9G385 M386 D410 N486 N490G385-G488 CarbonylContact C-O 3.6Å; M386-G488 CarbonylContact C-O 3.53Å; M386-G488 VanDerWaalsContact C-O 3.23Å; M386-G488 WeakPolarHBondContact CA-O 3.23Å; M386-G488 PolarHBondContact N-O 2.69Å; D410-G488 WeakPolarHBondContact OD2-CA 3.38Å; N486-G488 PolarHBondContact O-N 3.32Å; G488-N490 PolarHBondContact O-N 3.33Å
489F98.6Very high98Very high14 Ų144.9 Ų4.96%0.0612%0.024CC..SBendtrans-74.6121.5-178.6175-110.1000110.3L275 F278 R279 A282 V384 G385 F408 G409 D410L275-F489 HydrophobicContact CD1-CE2 4.09Å; L275-F489 HydrophobicContact CD1-CZ 3.79Å; L275-F489 HydrophobicContact CG-CZ 4.24Å; F278-F489 HydrophobicContact CD1-CD2 4.01Å; F278-F489 AromaticContact CD1-CE2 3.96Å; F278-F489 HydrophobicContact CD1-CE2 3.96Å; F278-F489 HydrophobicContact CE1-CD2 4.48Å; R279-F489 HydrophobicContact CB-CD1 4.03Å; R279-F489 HydrophobicContact CB-CD2 4.16Å; R279-F489 HydrophobicContact CB-CE1 3.63Å; R279-F489 HydrophobicContact CB-CE2 3.79Å; R279-F489 HydrophobicContact CB-CG 4.25Å; R279-F489 HydrophobicContact CB-CZ 3.51Å; R279-F489 HydrophobicContact CG-CD1 3.58Å; R279-F489 HydrophobicContact CG-CE1 3.47Å; R279-F489 VanDerWaalsContact CG-CE1 3.47Å; R279-F489 HydrophobicContact CG-CE2 4.43Å; R279-F489 HydrophobicContact CG-CG 4.09Å; R279-F489 HydrophobicContact CG-CZ 3.94Å; A282-F489 HydrophobicContact CB-CB 3.82Å; A282-F489 HydrophobicContact CB-CD2 4.06Å; A282-F489 HydrophobicContact CB-CG 4.33Å; V384-F489 HydrophobicContact CG1-CD2 4.46Å; V384-F489 HydrophobicContact CG1-CE2 3.78Å; G385-F489 VanDerWaalsContact O-CA 3.31Å; G385-F489 WeakPolarHBondContact O-CA 3.26Å; F408-F489 HydrophobicContact CD2-CE1 4.1Å; F408-F489 HydrophobicContact CE2-CD1 4.27Å; F408-F489 AromaticContact CE2-CE1 3.42Å; F408-F489 HydrophobicContact CE2-CE1 3.42Å; F408-F489 VanDerWaalsContact CE2-CE1 3.42Å; F408-F489 AromaticContact CE2-CZ 3.64Å; F408-F489 HydrophobicContact CE2-CZ 3.64Å; F408-F489 HydrophobicContact CZ-CE1 4.37Å; F408-F489 HydrophobicContact CZ-CZ 4.23Å; G409-F489 CarbonylContact C-O 3.48Å; G409-F489 WeakPolarHBondContact CA-O 3.46Å; D410-F489 PolarHBondContact N-O 3.28Å; D410-F489 PolarHBondContact OD2-N 3.18Å
490N98.6Very high98Very high0 Ų03 Ų30%02%0.019CC..EExtended strand (participates in β ladder)trans-153.2169.4176.867.219.9000112.3V384 G385 L406 F408 D410 N486 G488V384-N490 CarbonylContact C-O 3.57Å; V384-N490 WeakPolarHBondContact CA-O 3.3Å; G385-N490 WeakPolarHBondContact CA-OD1 3.42Å; G385-N490 PolarHBondContact N-O 2.83Å; G385-N490 PolarHBondContact N-OD1 2.93Å; G385-N490 PolarHBondContact O-N 2.77Å; L406-N490 HydrophobicContact CD1-CB 3.94Å; F408-N490 WeakPolarHBondContact O-CA 3.47Å; F408-N490 VanDerWaalsContact O-CB 3.31Å; F408-N490 WeakPolarHBondContact O-CB 3.28Å; D410-N490 WeakPolarHBondContact O-CB 3.25Å; D410-N490 PolarHBondContact O-ND2 3.16Å; N486-N490 PolarHBondContact OD1-ND2 3.43Å; N486-N490 PolarHBondContact OD1-OD1 3.26Å; N486-N490 VanDerWaalsContact OD1-OD1 3.05Å; G488-N490 PolarHBondContact O-N 3.33Å
491C98.3Very high97.9Very high0 Ų04.9 Ų4.90%03%0.027CC..EExtended strand (participates in β ladder)trans-136.7118.2173.3-1720000109.5Y383 H407 F408Y383-C491 CarbonylContact O-C 3.5Å; Y383-C491 VanDerWaalsContact O-CA 3.31Å; Y383-C491 WeakPolarHBondContact O-CA 3.41Å; H407-C491 WeakPolarHBondContact CB-O 3.32Å; H407-C491 PolarHBondContact N-O 3.48Å; F408-C491 HydrophobicContact CD1-CB 4.18Å; F408-C491 HydrophobicContact CD2-CB 4.34Å; F408-C491 HydrophobicContact CE1-CB 3.46Å; F408-C491 VanDerWaalsContact CE1-CB 3.46Å; F408-C491 HydrophobicContact CE2-CB 3.62Å; F408-C491 HydrophobicContact CZ-CB 3.14Å; F408-C491 PolarHBondContact O-N 3.4Å
492A98.4Very high97.9Very high0 Ų04.5 Ų4.50%03%0.026CC..EExtended strand (participates in β ladder)trans-109.4153.9173.300000110.4L382 Y383 Y405 L406L382-A492 CarbonylContact C-O 3.53Å; L382-A492 WeakPolarHBondContact CA-O 3.36Å; Y383-A492 PolarHBondContact N-O 3.19Å; Y383-A492 PolarHBondContact O-N 3.1Å; Y405-A492 CarbonylContact O-C 3.42Å; Y405-A492 VanDerWaalsContact O-CA 3.24Å; Y405-A492 WeakPolarHBondContact O-CA 3.25Å; L406-A492 HydrophobicContact CD1-CB 3.81Å
493E98.2Very high97.9Very high0 Ų04.3 Ų4.30%03%0.025CC..EExtended strand (participates in β ladder)trans-123.1135.2168.9-172.4168.2158.500108.2S332 G333 F334 L356 P380 W381 L382 S404 Y405 H407S332-E493 WeakPolarHBondContact CB-OE1 3.31Å; S332-E493 VanDerWaalsContact OG-CD 3.23Å; S332-E493 PolarHBondContact OG-OE1 2.83Å; S332-E493 PolarHBondContact OG-OE2 3.22Å; S332-E493 VanDerWaalsContact OG-OE2 3.08Å; G333-E493 WeakPolarHBondContact CA-OE2 3.14Å; G333-E493 PolarHBondContact N-OE2 3.38Å; F334-E493 WeakPolarHBondContact CD2-OE2 3.42Å; F334-E493 HydrophobicContact CE2-CB 4.42Å; L356-E493 HydrophobicContact CD1-CB 4.27Å; L356-E493 HydrophobicContact CD1-CG 4.29Å; L356-E493 WeakPolarHBondContact CD1-O 3.31Å; P380-E493 HydrophobicContact CB-CG 3.8Å; P380-E493 WeakPolarHBondContact CB-OE1 3.35Å; W381-E493 CarbonylContact O-C 3.53Å; W381-E493 VanDerWaalsContact O-CA 3.27Å; W381-E493 WeakPolarHBondContact O-CA 3.48Å; L382-E493 HydrophobicContact CD2-CB 3.78Å; L382-E493 HydrophobicContact CD2-CG 4.06Å; S404-E493 CarbonylContact C-O 3.52Å; S404-E493 VanDerWaalsContact CA-O 3.32Å; S404-E493 WeakPolarHBondContact CA-O 3.46Å; Y405-E493 PolarHBondContact N-O 3.31Å; Y405-E493 PolarHBondContact O-N 3.21Å; H407-E493 IonicContact CD2-OE2 3.22Å; H407-E493 IonicContact CE1-OE2 2.69Å; H407-E493 WeakPolarHBondContact NE2-CB 3.3Å; H407-E493 IonicContact NE2-OE2 3.47Å; H407-E493 PolarHBondContact NE2-OE2 3.31Å
494A98.4Very high97.8Very high14 Ų146.2 Ų6.212%0.1164%0.037CC..EExtended strand (participates in β ladder)trans-138.7153.8178.900000112.2P380 W381 Y383 I403P380-A494 CarbonylContact C-O 3.59Å; P380-A494 WeakPolarHBondContact CA-O 3.43Å; W381-A494 PolarHBondContact N-O 3.3Å; W381-A494 PolarHBondContact O-N 3.03Å; Y383-A494 HydrophobicContact CD2-CB 4.5Å; Y383-A494 HydrophobicContact CE2-CB 3.82Å; I403-A494 WeakPolarHBondContact O-CA 3.47Å; I403-A494 WeakPolarHBondContact O-CB 3.3Å
495V97.9Very high97.8Very high4 Ų49.2 Ų9.22%0.0245%0.05CC..EExtended strand (participates in β ladder)trans-153.2159.4178.775.20000110.3L356 P360 V377 P380 S402 I403 V497L356-V495 HydrophobicContact CB-CG1 4.11Å; L356-V495 HydrophobicContact CD2-CG1 4.42Å; P360-V495 HydrophobicContact CG-CB 4.31Å; P360-V495 HydrophobicContact CG-CG1 3.95Å; P360-V495 HydrophobicContact CG-CG2 3.39Å; V377-V495 WeakPolarHBondContact O-CG2 3.47Å; P380-V495 HydrophobicContact CB-CB 4.06Å; P380-V495 HydrophobicContact CB-CG2 4.3Å; P380-V495 HydrophobicContact CG-CB 3.95Å; P380-V495 HydrophobicContact CG-CG2 3.88Å; S402-V495 WeakPolarHBondContact CA-O 3.47Å; I403-V495 HydrophobicContact CG2-CG1 3.94Å; I403-V495 PolarHBondContact N-O 3.34Å; I403-V495 PolarHBondContact O-N 3.5Å; V495-V497 HydrophobicContact CG1-CG2 4.37Å
496N98Very high97.8Very high1 Ų19.2 Ų9.21%0.0055%0.05CC..EExtended strand (participates in β ladder)trans-83.1152.3170.6-62.3123.4000112.1L367 G376 V377 E396 C400 Y401L367-N496 VanDerWaalsContact CD1-C 3.49Å; L367-N496 HydrophobicContact CD1-CB 3.94Å; L367-N496 VanDerWaalsContact CD1-O 3.22Å; L367-N496 WeakPolarHBondContact CD1-O 3.2Å; G376-N496 PolarHBondContact O-OD1 3.5Å; V377-N496 WeakPolarHBondContact CA-OD1 3.41Å; V377-N496 HydrophobicContact CG1-CB 4.33Å; V377-N496 WeakPolarHBondContact O-CB 3.43Å; V377-N496 PolarHBondContact O-N 3.2Å; V377-N496 VanDerWaalsContact O-N 3.09Å; E396-N496 PolarHBondContact OE2-ND2 3.45Å; C400-N496 HydrophobicContact CB-CB 3.77Å; Y401-N496 CarbonylContact O-C 3.56Å; Y401-N496 WeakPolarHBondContact O-CA 3.24Å; Y401-N496 WeakPolarHBondContact O-CB 3.44Å; Y401-N496 PolarHBondContact O-ND2 2.92Å
497V96.5Very high97.6Very high1 Ų110.9 Ų10.91%0.0066%0.056CC..EExtended strand (participates in β ladder)trans-140.5145.2174.9-173.60000107.9I27 I30 M359 Y401 I403 V495I27-V497 HydrophobicContact CD1-CG1 3.33Å; I30-V497 HydrophobicContact CD1-CG1 4.42Å; M359-V497 HydrophobicContact CB-CG2 4.39Å; M359-V497 HydrophobicContact CG-CG1 4.28Å; M359-V497 HydrophobicContact CG-CG2 3.71Å; M359-V497 HydrophobicContact SD-CG2 3.66Å; Y401-V497 VanDerWaalsContact CB-O 3.31Å; Y401-V497 WeakPolarHBondContact CB-O 3.39Å; Y401-V497 PolarHBondContact N-O 3.24Å; Y401-V497 PolarHBondContact O-N 3.47Å; I403-V497 HydrophobicContact CG2-CG2 3.76Å; V495-V497 HydrophobicContact CG1-CG2 4.37Å
498C97.7Very high97.5Very high0 Ų014.6 Ų14.60%07%0.073CC..  trans-134.484.9-177.8-66.70000110.6S365 A366 L367 C400 W502S365-C498 CarbonylContact C-O 3.4Å; S365-C498 VanDerWaalsContact CA-O 3.31Å; S365-C498 WeakPolarHBondContact CA-O 3.44Å; A366-C498 HydrophobicContact CB-CB 3.93Å; A366-C498 PolarHBondContact N-O 2.85Å; L367-C498 HydrophobicContact CD2-CB 4.36Å; L367-C498 HydrophobicContact CG-CB 3.93Å; C400-C498 PolarHBondContact SG-SG 3.2Å; C498-W502 HydrophobicContact CB-CB 4.08Å; C498-W502 HydrophobicContact CB-CD2 3.58Å; C498-W502 HydrophobicContact CB-CE3 3.48Å; C498-W502 VanDerWaalsContact CB-CE3 3.48Å; C498-W502 HydrophobicContact CB-CG 3.85Å; C498-W502 HydrophobicContact CB-CZ3 4.1Å; C498-W502 VanDerWaalsContact SG-CE2 3.53Å
499P97.5Very high97.4Very high0 Ų014.6 Ų14.60%07%0.073CC..  trans-59.9172.2168.3-21.135.2000112.1I27 I30 E501 W502I27-P499 HydrophobicContact CG2-CB 4.02Å; I27-P499 HydrophobicContact CG2-CG 4.23Å; I30-P499 HydrophobicContact CB-CG 4.35Å; I30-P499 HydrophobicContact CG2-CG 3.91Å; P499-E501 VanDerWaalsContact C-N 3.3Å; P499-E501 VanDerWaalsContact CB-OE2 3.26Å; P499-E501 WeakPolarHBondContact CB-OE2 3.43Å; P499-E501 PolarHBondContact O-N 2.93Å; P499-W502 VanDerWaalsContact O-CB 3.23Å; P499-W502 WeakPolarHBondContact O-CB 3.37Å; P499-W502 PolarHBondContact O-N 3.28Å
500A96.5Very high97.2Very high9 Ų914.9 Ų14.97%0.0748%0.075CC..THydrogen-bonded Turntrans-56.6-39.7-17300000114.5W502 L503 P540 L541 A544A500-W502 PolarHBondContact O-N 3Å; A500-W502 VanDerWaalsContact O-N 3.16Å; A500-L503 PolarHBondContact O-N 3.15Å; A500-P540 HydrophobicContact CB-CB 4.05Å; A500-P540 WeakPolarHBondContact CB-O 3.5Å; A500-L541 HydrophobicContact CB-CD2 3.75Å; A500-L541 HydrophobicContact CB-CG 4.42Å; A500-A544 HydrophobicContact CB-CB 4.03Å; A500-A544 WeakPolarHBondContact O-CB 3.29Å
501E95.1Very high96.9Very high43 Ų4319 Ų1920%0.20110%0.095CC..THydrogen-bonded Turntrans-69.6-9.8-179.975.9-82.1-165.300113.7S31 T34 Y401 P499 P504 F505S31-E501 WeakPolarHBondContact CA-OE1 3.4Å; S31-E501 WeakPolarHBondContact CB-OE2 3.44Å; S31-E501 VanDerWaalsContact OG-CD 3.3Å; S31-E501 PolarHBondContact OG-OE1 2.79Å; S31-E501 PolarHBondContact OG-OE2 2.73Å; T34-E501 HydrophobicContact CG2-CG 4.21Å; T34-E501 PolarHBondContact OG1-OE1 3.46Å; Y401-E501 WeakPolarHBondContact OH-CG 3.45Å; Y401-E501 PolarHBondContact OH-OE1 3.11Å; Y401-E501 VanDerWaalsContact OH-OE1 3.12Å; P499-E501 VanDerWaalsContact C-N 3.3Å; P499-E501 VanDerWaalsContact CB-OE2 3.26Å; P499-E501 WeakPolarHBondContact CB-OE2 3.43Å; P499-E501 PolarHBondContact O-N 2.93Å; E501-P504 VanDerWaalsContact O-CD 3.3Å; E501-P504 WeakPolarHBondContact O-CD 3.41Å; E501-P504 VanDerWaalsContact O-CG 3.31Å; E501-P504 WeakPolarHBondContact O-CG 3.29Å; E501-F505 VanDerWaalsContact O-CD2 3.26Å; E501-F505 WeakPolarHBondContact O-CD2 3.26Å
502W97.9Very high96.6Very high0 Ų020.9 Ų20.90%011%0.108CC..Hα-helixtrans-69.1-31.4173.8170.277.6000112.8A366 H398 W399 Y401 C498 P499 A500 F505 G506 F522 H524 L527A366-W502 HydrophobicContact CB-CE3 4.07Å; A366-W502 HydrophobicContact CB-CZ3 4.01Å; H398-W502 HydrophobicContact CB-CZ2 3.83Å; H398-W502 PolarHBondContact O-NE1 3.45Å; W399-W502 VanDerWaalsContact O-CD1 3.32Å; W399-W502 PolarHBondContact O-NE1 3.21Å; Y401-W502 HydrophobicContact CD2-CB 4.27Å; Y401-W502 HydrophobicContact CE2-CB 3.99Å; C498-W502 HydrophobicContact CB-CB 4.08Å; C498-W502 HydrophobicContact CB-CD2 3.58Å; C498-W502 HydrophobicContact CB-CE3 3.48Å; C498-W502 VanDerWaalsContact CB-CE3 3.48Å; C498-W502 HydrophobicContact CB-CG 3.85Å; C498-W502 HydrophobicContact CB-CZ3 4.1Å; C498-W502 VanDerWaalsContact SG-CE2 3.53Å; P499-W502 VanDerWaalsContact O-CB 3.23Å; P499-W502 WeakPolarHBondContact O-CB 3.37Å; P499-W502 PolarHBondContact O-N 3.28Å; A500-W502 PolarHBondContact O-N 3Å; A500-W502 VanDerWaalsContact O-N 3.16Å; W502-F505 WeakPolarHBondContact O-CA 3.36Å; W502-F505 WeakPolarHBondContact O-CB 3.22Å; W502-F505 PolarHBondContact O-N 3.22Å; W502-G506 PolarHBondContact O-N 3.4Å; W502-F522 AromaticContact CH2-CE2 3.94Å; W502-F522 HydrophobicContact CH2-CE2 3.94Å; W502-F522 AromaticContact CH2-CZ 3.76Å; W502-F522 HydrophobicContact CH2-CZ 3.76Å; W502-F522 HydrophobicContact CZ2-CZ 4.06Å; W502-H524 AromaticContact CH2-CE1 3.92Å; W502-H524 AromaticContact CH2-ND1 3.74Å; W502-H524 AromaticContact CZ3-CE1 3.95Å; W502-L527 HydrophobicContact CH2-CD2 4Å; W502-L527 HydrophobicContact CZ3-CD2 3.76Å
503L97.9Very high96.3Very high0 Ų021 Ų210%011%0.108CC..Hα-helixtrans-48.1-49.5-174.7-69.5176.2000114.2A366 A500 F505 G506 R507 H524 L528 M531 A544 V545A366-L503 HydrophobicContact CB-CD2 4.12Å; A500-L503 PolarHBondContact O-N 3.15Å; L503-F505 VanDerWaalsContact C-N 3.34Å; L503-F505 PolarHBondContact O-N 3.5Å; L503-G506 PolarHBondContact O-N 2.91Å; L503-R507 PolarHBondContact O-N 2.84Å; L503-H524 PolarHBondContact O-CE1 2.66Å; L503-H524 VanDerWaalsContact O-CE1 3.28Å; L503-H524 PolarHBondContact O-NE2 2.87Å; L503-L528 HydrophobicContact CD1-CD2 4.24Å; L503-L528 HydrophobicContact CD2-CD2 4.02Å; L503-M531 HydrophobicContact CD1-CE 4.34Å; L503-M531 HydrophobicContact CD2-SD 4.2Å; L503-A544 HydrophobicContact CD1-CB 3.82Å; L503-V545 HydrophobicContact CD1-CG2 3.8Å
504P96.9Very high96.1Very high40 Ų4021.9 Ų21.926%0.2611%0.114SC..Hα-helixtrans-62.8-36175.624.1-35.2000113.5E501 R507 Q508 N548E501-P504 VanDerWaalsContact O-CD 3.3Å; E501-P504 WeakPolarHBondContact O-CD 3.41Å; E501-P504 VanDerWaalsContact O-CG 3.31Å; E501-P504 WeakPolarHBondContact O-CG 3.29Å; P504-R507 PolarHBondContact O-N 3.06Å; P504-Q508 VanDerWaalsContact O-CG 3.27Å; P504-Q508 WeakPolarHBondContact O-CG 3.42Å; P504-Q508 PolarHBondContact O-N 3.16Å; P504-N548 WeakPolarHBondContact CA-OD1 3.13Å
505F97.6Very high95.6Very high65 Ų6525.2 Ų25.229%0.28514%0.141SC..Hα-helixtrans-64.6-43.8174.6-66.3-77.5000111.5P478 E501 W502 L503 R507 Q508 C509P478-F505 HydrophobicContact CB-CB 4.01Å; P478-F505 HydrophobicContact CB-CD1 3.74Å; P478-F505 HydrophobicContact CB-CD2 3.91Å; P478-F505 HydrophobicContact CB-CE1 4.13Å; P478-F505 HydrophobicContact CB-CE2 4.28Å; P478-F505 HydrophobicContact CB-CG 3.61Å; P478-F505 HydrophobicContact CB-CZ 4.38Å; P478-F505 HydrophobicContact CG-CD2 3.91Å; P478-F505 HydrophobicContact CG-CE2 4.18Å; P478-F505 HydrophobicContact CG-CG 4.12Å; E501-F505 VanDerWaalsContact O-CD2 3.26Å; E501-F505 WeakPolarHBondContact O-CD2 3.26Å; W502-F505 WeakPolarHBondContact O-CA 3.36Å; W502-F505 WeakPolarHBondContact O-CB 3.22Å; W502-F505 PolarHBondContact O-N 3.22Å; L503-F505 VanDerWaalsContact C-N 3.34Å; L503-F505 PolarHBondContact O-N 3.5Å; F505-R507 PolarHBondContact O-N 3.44Å; F505-Q508 PolarHBondContact O-N 2.99Å; F505-C509 VanDerWaalsContact O-CB 3.28Å; F505-C509 WeakPolarHBondContact O-CB 3.18Å; F505-C509 PolarHBondContact O-N 2.7Å
506G97.2Very high94.9Very high0 Ų029 Ų290%016%0.162CC..Hα-helixtrans-57.5-47.8176.100000111.7W502 L503 Q508 C509 I510W502-G506 PolarHBondContact O-N 3.4Å; L503-G506 PolarHBondContact O-N 2.91Å; G506-Q508 PolarHBondContact O-N 3.22Å; G506-C509 VanDerWaalsContact O-CB 3.29Å; G506-C509 WeakPolarHBondContact O-CB 3.45Å; G506-C509 PolarHBondContact O-N 3.19Å; G506-I510 WeakPolarHBondContact O-CG1 3.39Å; G506-I510 PolarHBondContact O-N 3.14Å; G506-I510 VanDerWaalsContact O-N 3.12Å
507R96.1Very high94.4Very high35 Ų3536.7 Ų36.713%0.13219%0.19CC..Hα-helixtrans-62.3-43.5177.9-172.8177.460.586.36113.1L503 P504 F505 C509 I510 Q511 H524 N548 E551L503-R507 PolarHBondContact O-N 2.84Å; P504-R507 PolarHBondContact O-N 3.06Å; F505-R507 PolarHBondContact O-N 3.44Å; R507-C509 VanDerWaalsContact C-N 3.32Å; R507-I510 PolarHBondContact O-N 2.74Å; R507-Q511 PolarHBondContact O-N 3.4Å; R507-H524 PolarHBondContact N-CE1 3.17Å; R507-N548 PolarHBondContact NE-OD1 3.43Å; R507-E551 IonicContact CZ-OE1 3.94Å; R507-E551 IonicContact CZ-OE2 3.94Å; R507-E551 IonicContact NE-OE2 3.58Å; R507-E551 PolarHBondContact NE-OE2 3.45Å; R507-E551 IonicContact NH1-OE1 2.73Å; R507-E551 PolarHBondContact NH1-OE1 3.15Å; R507-E551 IonicContact NH1-OE2 2.8Å; R507-E551 PolarHBondContact NH1-OE2 3.29Å; R507-E551 IonicContact NH2-OE1 3.88Å; R507-E551 PolarHBondContact NH2-OE1 2.94Å; R507-E551 IonicContact NH2-OE2 2.63Å; R507-E551 PolarHBondContact NH2-OE2 2.94Å
508Q95.8Very high93.9Very high80 Ų8038.5 Ų38.537%0.37420%0.197SC..Hα-helixtrans-64.5-38.1174.8-70.5172.520.300111.6W399 P504 F505 G506 I510 Q511 S512W399-Q508 HydrophobicContact CZ3-CB 3.78Å; P504-Q508 VanDerWaalsContact O-CG 3.27Å; P504-Q508 WeakPolarHBondContact O-CG 3.42Å; P504-Q508 PolarHBondContact O-N 3.16Å; F505-Q508 PolarHBondContact O-N 2.99Å; G506-Q508 PolarHBondContact O-N 3.22Å; Q508-I510 VanDerWaalsContact C-N 3.32Å; Q508-I510 PolarHBondContact O-N 3.12Å; Q508-Q511 WeakPolarHBondContact O-CB 3.49Å; Q508-Q511 PolarHBondContact O-N 3.46Å; Q508-Q511 VanDerWaalsContact O-N 3.11Å; Q508-S512 PolarHBondContact O-N 3.34Å; Q508-S512 VanDerWaalsContact O-N 3.09Å
509C96Very high93.6Very high0 Ų043.1 Ų43.10%022%0.221CC..Hα-helixtrans-58.7-43.6176.5-167.80000111.3H398 W399 F505 G506 R507 Q511 S512 Y513H398-C509 VanDerWaalsContact C-SG 3.54Å; H398-C509 VanDerWaalsContact CA-SG 3.54Å; W399-C509 HydrophobicContact CB-CB 4.23Å; W399-C509 VanDerWaalsContact CD1-SG 3.51Å; W399-C509 HydrophobicContact CD2-CB 3.54Å; W399-C509 HydrophobicContact CE3-CB 3.64Å; W399-C509 HydrophobicContact CG-CB 3.83Å; W399-C509 VanDerWaalsContact CG-SG 3.51Å; W399-C509 HydrophobicContact CZ3-CB 4.19Å; F505-C509 VanDerWaalsContact O-CB 3.28Å; F505-C509 WeakPolarHBondContact O-CB 3.18Å; F505-C509 PolarHBondContact O-N 2.7Å; G506-C509 VanDerWaalsContact O-CB 3.29Å; G506-C509 WeakPolarHBondContact O-CB 3.45Å; G506-C509 PolarHBondContact O-N 3.19Å; R507-C509 VanDerWaalsContact C-N 3.32Å; C509-Q511 VanDerWaalsContact C-N 3.28Å; C509-Q511 PolarHBondContact O-N 2.93Å; C509-S512 CarbonylContact O-C 3.55Å; C509-S512 WeakPolarHBondContact O-CA 3.32Å; C509-S512 WeakPolarHBondContact O-CB 3.33Å; C509-S512 PolarHBondContact O-N 2.77Å; C509-S512 VanDerWaalsContact O-N 3.09Å; C509-Y513 WeakPolarHBondContact O-CD1 3.12Å; C509-Y513 PolarHBondContact O-N 2.88Å; C509-Y513 WeakPolarHBondContact SG-CE1 3.44Å; C509-Y513 VanDerWaalsContact SG-CZ 3.51Å
510I95Very high93.3Very high20 Ų2043.7 Ų43.710%0.10323%0.225CC..Hα-helixtrans-59.8-38.8176.4-59-52000111.8H398 G506 R507 Q508 S512 Y513 C514 C520 H524H398-I510 WeakPolarHBondContact ND1-CD1 3.49Å; G506-I510 WeakPolarHBondContact O-CG1 3.39Å; G506-I510 PolarHBondContact O-N 3.14Å; G506-I510 VanDerWaalsContact O-N 3.12Å; R507-I510 PolarHBondContact O-N 2.74Å; Q508-I510 VanDerWaalsContact C-N 3.32Å; Q508-I510 PolarHBondContact O-N 3.12Å; I510-S512 VanDerWaalsContact C-N 3.35Å; I510-Y513 PolarHBondContact O-N 3.04Å; I510-C514 PolarHBondContact O-N 2.89Å; I510-C514 PolarHBondContact O-SG 3.12Å; I510-C520 HydrophobicContact CD1-CB 4.47Å; I510-H524 HydrophobicContact CD1-CB 4.34Å; I510-H524 HydrophobicContact CG1-CB 3.82Å
511Q92.8Very high93.1Very high88 Ų8845.4 Ų45.441%0.41124%0.235SC..Hα-helixtrans-63.8-41.7175.9-63.4176.4-5.500111.4R507 Q508 C509 C514 A515R507-Q511 PolarHBondContact O-N 3.4Å; Q508-Q511 WeakPolarHBondContact O-CB 3.49Å; Q508-Q511 PolarHBondContact O-N 3.46Å; Q508-Q511 VanDerWaalsContact O-N 3.11Å; C509-Q511 VanDerWaalsContact C-N 3.28Å; C509-Q511 PolarHBondContact O-N 2.93Å; Q511-C514 WeakPolarHBondContact O-CB 3.45Å; Q511-C514 PolarHBondContact O-N 2.83Å; Q511-A515 PolarHBondContact O-N 3.06Å
512S91.6Very high93Very high39 Ų3943.9 Ų43.927%0.27323%0.228SC..Hα-helixtrans-61.5-46.7172.8-165.30000111.5Q508 C509 I510 C514 A515 D516Q508-S512 PolarHBondContact O-N 3.34Å; Q508-S512 VanDerWaalsContact O-N 3.09Å; C509-S512 CarbonylContact O-C 3.55Å; C509-S512 WeakPolarHBondContact O-CA 3.32Å; C509-S512 WeakPolarHBondContact O-CB 3.33Å; C509-S512 PolarHBondContact O-N 2.77Å; C509-S512 VanDerWaalsContact O-N 3.09Å; I510-S512 VanDerWaalsContact C-N 3.35Å; S512-C514 PolarHBondContact O-N 3.25Å; S512-A515 WeakPolarHBondContact O-CB 3.12Å; S512-A515 PolarHBondContact O-N 3.32Å; S512-D516 PolarHBondContact O-N 2.93Å
513Y92.7Very high92.9Very high3 Ų344.3 Ų44.31%0.01223%0.231CC..Hα-helixtrans-59.1-36179.6-78.615.8000112.2H398 C509 I510 A515 D516 R517 R518H398-Y513 PolarHBondContact N-OH 3.19Å; C509-Y513 WeakPolarHBondContact O-CD1 3.12Å; C509-Y513 PolarHBondContact O-N 2.88Å; C509-Y513 WeakPolarHBondContact SG-CE1 3.44Å; C509-Y513 VanDerWaalsContact SG-CZ 3.51Å; I510-Y513 PolarHBondContact O-N 3.04Å; Y513-A515 VanDerWaalsContact C-N 3.3Å; Y513-A515 PolarHBondContact O-N 2.87Å; Y513-D516 CarbonylContact O-C 3.54Å; Y513-D516 PolarHBondContact O-N 3.12Å; Y513-R517 WeakPolarHBondContact O-CA 3.24Å; Y513-R517 PolarHBondContact O-N 3.38Å; Y513-R518 HydrophobicContact CD1-CB 4.13Å; Y513-R518 HydrophobicContact CD1-CG 4.15Å; Y513-R518 HydrophobicContact CD2-CB 4.22Å; Y513-R518 HydrophobicContact CD2-CG 3.94Å; Y513-R518 VanDerWaalsContact CE1-CD 3.48Å; Y513-R518 HydrophobicContact CE1-CG 4.28Å; Y513-R518 HydrophobicContact CE2-CG 4.07Å; Y513-R518 HydrophobicContact CG-CB 3.87Å; Y513-R518 HydrophobicContact CG-CG 4Å; Y513-R518 VanDerWaalsContact CZ-NE 3.33Å; Y513-R518 PolarHBondContact O-N 3.04Å; Y513-R518 PolarHBondContact OH-NE 3.11Å; Y513-R518 PolarHBondContact OH-NH1 3.26Å; Y513-R518 PolarHBondContact OH-NH2 2.66Å; Y513-R518 VanDerWaalsContact OH-NH2 3.11Å
514C92.2Very high92.7Very high18 Ų1844.7 Ų44.712%0.12223%0.232CC..Hα-helixtrans-61.6-37.3175.5-66.30000112.6I510 Q511 S512 C587I510-C514 PolarHBondContact O-N 2.89Å; I510-C514 PolarHBondContact O-SG 3.12Å; Q511-C514 WeakPolarHBondContact O-CB 3.45Å; Q511-C514 PolarHBondContact O-N 2.83Å; S512-C514 PolarHBondContact O-N 3.25Å; C514-C587 HydrophobicContact CB-CB 3.92Å; C514-C587 WeakPolarHBondContact O-CB 3.21Å
515A88Confident92.7Very high83 Ų8344.9 Ų44.969%0.68623%0.23SC*.Hα-helixtrans-68.2-39.1178.100000111.4Q511 S512 Y513Q511-A515 PolarHBondContact O-N 3.06Å; S512-A515 WeakPolarHBondContact O-CB 3.12Å; S512-A515 PolarHBondContact O-N 3.32Å; Y513-A515 VanDerWaalsContact C-N 3.3Å; Y513-A515 PolarHBondContact O-N 2.87Å
516D84Confident92.7Very high85 Ų8543.5 Ų43.546%0.45522%0.224SC..Hα-helixtrans-90.5-0.7-177.3-59.4-38.7000114.2H445 S512 Y513 R518H445-D516 IonicContact CE1-OD2 3.22Å; S512-D516 PolarHBondContact O-N 2.93Å; Y513-D516 CarbonylContact O-C 3.54Å; Y513-D516 PolarHBondContact O-N 3.12Å; D516-R518 PolarHBondContact O-N 3.19Å
517R87.3Confident92.7Very high161 Ų16143.8 Ų43.861%0.60823%0.226SC*.THydrogen-bonded Turntrans55.531.3-171.9-54.1-176.4177.6180-0.9113.6Y513 I586 C587 S588Y513-R517 WeakPolarHBondContact O-CA 3.24Å; Y513-R517 PolarHBondContact O-N 3.38Å; R517-I586 WeakPolarHBondContact CD-O 3.36Å; R517-I586 PolarHBondContact NE-O 3.47Å; R517-C587 WeakPolarHBondContact CA-O 3.36Å; R517-S588 WeakPolarHBondContact O-CB 3.13Å; R517-S588 PolarHBondContact O-OG 2.96Å
518R86.6Confident92.7Very high39 Ų3942.1 Ų42.115%0.14722%0.219CC..PPolyproline II helixtrans-78.3135.9-179.5179.9168.6171.7-173.70.8110.7D397 Y513 D516D397-R518 IonicContact OD1-CZ 3.13Å; D397-R518 IonicContact OD1-NH2 2.72Å; D397-R518 PolarHBondContact OD1-NH2 2.98Å; Y513-R518 HydrophobicContact CD1-CB 4.13Å; Y513-R518 HydrophobicContact CD1-CG 4.15Å; Y513-R518 HydrophobicContact CD2-CB 4.22Å; Y513-R518 HydrophobicContact CD2-CG 3.94Å; Y513-R518 VanDerWaalsContact CE1-CD 3.48Å; Y513-R518 HydrophobicContact CE1-CG 4.28Å; Y513-R518 HydrophobicContact CE2-CG 4.07Å; Y513-R518 HydrophobicContact CG-CB 3.87Å; Y513-R518 HydrophobicContact CG-CG 4Å; Y513-R518 VanDerWaalsContact CZ-NE 3.33Å; Y513-R518 PolarHBondContact O-N 3.04Å; Y513-R518 PolarHBondContact OH-NE 3.11Å; Y513-R518 PolarHBondContact OH-NH1 3.26Å; Y513-R518 PolarHBondContact OH-NH2 2.66Å; Y513-R518 VanDerWaalsContact OH-NH2 3.11Å; D516-R518 PolarHBondContact O-N 3.19Å
519L90.3Very high92.8Very high97 Ų9738.6 Ų38.651%0.50820%0.203SC..PPolyproline II helixtrans-68.9136.4175.9-63.4174.7000110.9
520C92.2Very high92.8Very high12 Ų1241.5 Ų41.58%0.08122%0.216CC..PPolyproline II helixtrans-84.6136.9173.4-57.10000109.2I510 F522 T590I510-C520 HydrophobicContact CD1-CB 4.47Å; C520-F522 VanDerWaalsContact C-N 3.33Å; C520-T590 WeakPolarHBondContact CB-OG1 3.46Å
521V91.6Very high92.9Very high46 Ų4640.6 Ų40.628%0.27921%0.211SC..SBendtrans-75.1-23.9175.8-173.30000112.7V374 V377 D397 H398V374-V521 HydrophobicContact CG1-CG1 3.29Å; V377-V521 HydrophobicContact CG2-CG1 3.84Å; D397-V521 HydrophobicContact CB-CG2 4.01Å; H398-V521 PolarHBondContact NE2-N 3.29Å
522F93.5Very high93.1Very high11 Ų1136.4 Ų36.45%0.04819%0.192CC..SBendtrans-157163.5175.358.1-94.8000109.2L367 I370 V377 H398 W502 C520 L527L367-F522 HydrophobicContact CD2-CE1 4.43Å; L367-F522 HydrophobicContact CD2-CZ 4.34Å; I370-F522 HydrophobicContact CD1-CB 4.42Å; I370-F522 HydrophobicContact CD1-CD1 3.63Å; I370-F522 HydrophobicContact CD1-CD2 3.67Å; I370-F522 HydrophobicContact CD1-CE1 3.65Å; I370-F522 HydrophobicContact CD1-CE2 3.7Å; I370-F522 HydrophobicContact CD1-CG 3.64Å; I370-F522 HydrophobicContact CD1-CZ 3.69Å; I370-F522 HydrophobicContact CG1-CD2 4.31Å; I370-F522 HydrophobicContact CG1-CG 4.46Å; V377-F522 HydrophobicContact CG1-CE1 4.11Å; H398-F522 HydrophobicContact CB-CE1 4.38Å; H398-F522 HydrophobicContact CB-CZ 4.06Å; H398-F522 AromaticContact CD2-CD1 3.79Å; H398-F522 AromaticContact CD2-CE1 3.33Å; H398-F522 WeakPolarHBondContact CD2-CE1 3.45Å; H398-F522 AromaticContact CD2-CZ 3.72Å; H398-F522 PolarHBondContact CE1-O 2.96Å; H398-F522 AromaticContact CG-CE1 3.81Å; H398-F522 AromaticContact CG-CZ 3.69Å; H398-F522 AromaticContact ND1-CZ 3.97Å; H398-F522 AromaticContact NE2-CD1 3.54Å; H398-F522 AromaticContact NE2-CE1 3.56Å; H398-F522 AromaticContact NE2-CG 3.94Å; H398-F522 AromaticContact NE2-CZ 3.97Å; H398-F522 PolarHBondContact NE2-N 2.76Å; W502-F522 AromaticContact CH2-CE2 3.94Å; W502-F522 HydrophobicContact CH2-CE2 3.94Å; W502-F522 AromaticContact CH2-CZ 3.76Å; W502-F522 HydrophobicContact CH2-CZ 3.76Å; W502-F522 HydrophobicContact CZ2-CZ 4.06Å; C520-F522 VanDerWaalsContact C-N 3.33Å; F522-L527 HydrophobicContact CE2-CD2 3.98Å
523S94.8Very high93.2Very high9 Ų938.5 Ų38.56%0.06320%0.203CC..  trans-83.7118.9177.5172.70000111.8E526 L527 F592S523-E526 PolarHBondContact O-N 3.09Å; S523-E526 WeakPolarHBondContact OG-CB 3.46Å; S523-E526 PolarHBondContact OG-N 3.49Å; S523-E526 VanDerWaalsContact OG-N 3.11Å; S523-L527 WeakPolarHBondContact O-CB 3.39Å; S523-L527 PolarHBondContact O-N 2.87Å; S523-L527 VanDerWaalsContact O-N 3.08Å; S523-F592 WeakPolarHBondContact OG-CB 3.37Å
524H95.5Very high93.3Very high8 Ų839.9 Ų39.94%0.03721%0.213CC..Hα-helixtrans-68.8-34.4176.5-166.388.6000112.3W502 L503 R507 I510 L528W502-H524 AromaticContact CH2-CE1 3.92Å; W502-H524 AromaticContact CH2-ND1 3.74Å; W502-H524 AromaticContact CZ3-CE1 3.95Å; L503-H524 PolarHBondContact O-CE1 2.66Å; L503-H524 VanDerWaalsContact O-CE1 3.28Å; L503-H524 PolarHBondContact O-NE2 2.87Å; R507-H524 PolarHBondContact N-CE1 3.17Å; I510-H524 HydrophobicContact CD1-CB 4.34Å; I510-H524 HydrophobicContact CG1-CB 3.82Å; H524-L528 WeakPolarHBondContact O-CG 3.36Å; H524-L528 PolarHBondContact O-N 3.05Å; H524-L528 VanDerWaalsContact O-N 3.08Å
525E96.5Very high93.2Very high44 Ų4446.3 Ų46.321%0.20624%0.241CC..Hα-helixtrans-67.8-41.6175.9-63.1176.7166.600111.2L527 L528 C529 I552 F592 L593E525-L527 VanDerWaalsContact C-N 3.35Å; E525-L528 PolarHBondContact O-N 2.86Å; E525-C529 PolarHBondContact O-N 2.96Å; E525-C529 PolarHBondContact O-SG 2.79Å; E525-I552 HydrophobicContact CB-CD1 4.48Å; E525-F592 HydrophobicContact CB-CB 4.18Å; E525-F592 HydrophobicContact CB-CD1 3.72Å; E525-F592 HydrophobicContact CB-CG 4.32Å; E525-L593 HydrophobicContact CB-CD1 4.41Å; E525-L593 HydrophobicContact CB-CG 4.07Å; E525-L593 HydrophobicContact CG-CD1 4.2Å; E525-L593 HydrophobicContact CG-CG 4.27Å; E525-L593 WeakPolarHBondContact OE2-CG 3.38Å; E525-L593 PolarHBondContact OE2-N 2.76Å; E525-L593 VanDerWaalsContact OE2-N 3.16Å
526E96.5Very high93.3Very high36 Ų3648.5 Ų48.517%0.16824%0.242CC..Hα-helixtrans-61.5-45.1175.8-175.7168.3176.700111.4S523 L528 C529 K530 E575 R582 F592S523-E526 PolarHBondContact O-N 3.09Å; S523-E526 WeakPolarHBondContact OG-CB 3.46Å; S523-E526 PolarHBondContact OG-N 3.49Å; S523-E526 VanDerWaalsContact OG-N 3.11Å; E526-L528 PolarHBondContact O-N 3.05Å; E526-C529 PolarHBondContact O-N 2.53Å; E526-K530 WeakPolarHBondContact O-CB 3.26Å; E526-K530 PolarHBondContact O-N 2.88Å; E526-E575 VanDerWaalsContact OE1-CB 3.28Å; E526-E575 WeakPolarHBondContact OE1-CB 3.18Å; E526-R582 IonicContact OE2-CZ 2.63Å; E526-R582 VanDerWaalsContact OE2-CZ 3.32Å; E526-R582 IonicContact OE2-NH1 3.1Å; E526-R582 PolarHBondContact OE2-NH1 2.63Å; E526-R582 IonicContact OE2-NH2 3.79Å; E526-R582 PolarHBondContact OE2-NH2 2.82Å; E526-F592 VanDerWaalsContact CA-CE1 3.48Å; E526-F592 HydrophobicContact CB-CD1 4.11Å; E526-F592 HydrophobicContact CB-CD2 3.58Å; E526-F592 HydrophobicContact CB-CE1 4.11Å; E526-F592 HydrophobicContact CB-CE2 3.57Å; E526-F592 HydrophobicContact CB-CG 3.86Å; E526-F592 HydrophobicContact CB-CZ 3.84Å; E526-F592 HydrophobicContact CG-CD2 3.91Å; E526-F592 HydrophobicContact CG-CE2 3.47Å; E526-F592 VanDerWaalsContact CG-CE2 3.47Å; E526-F592 HydrophobicContact CG-CZ 3.87Å
527L96.7Very high93.8Very high5 Ų545.4 Ų45.43%0.02623%0.225CC..Hα-helixtrans-55.7-51.8175.1173.259.9000111.5A366 F369 I370 W502 F522 S523 E525 C529 K530 M531A366-L527 HydrophobicContact CB-CD2 4.4Å; A366-L527 WeakPolarHBondContact O-CD1 3.37Å; F369-L527 HydrophobicContact CB-CD1 3.54Å; I370-L527 HydrophobicContact CG1-CD1 4.04Å; I370-L527 HydrophobicContact CG1-CD2 4.5Å; W502-L527 HydrophobicContact CH2-CD2 4Å; W502-L527 HydrophobicContact CZ3-CD2 3.76Å; F522-L527 HydrophobicContact CE2-CD2 3.98Å; S523-L527 WeakPolarHBondContact O-CB 3.39Å; S523-L527 PolarHBondContact O-N 2.87Å; S523-L527 VanDerWaalsContact O-N 3.08Å; E525-L527 VanDerWaalsContact C-N 3.35Å; L527-C529 PolarHBondContact O-N 3.05Å; L527-K530 PolarHBondContact O-N 2.71Å; L527-M531 HydrophobicContact CD1-CG 4.12Å; L527-M531 HydrophobicContact CD1-SD 3.87Å; L527-M531 HydrophobicContact CG-SD 3.95Å; L527-M531 WeakPolarHBondContact O-CB 3.32Å; L527-M531 VanDerWaalsContact O-CG 3.24Å; L527-M531 WeakPolarHBondContact O-CG 3.4Å; L527-M531 PolarHBondContact O-N 2.78Å
528L97.2Very high94.1Very high0 Ų039 Ų390%021%0.207CC..Hα-helixtrans-62-44.4179.7-76170.2000112.2L503 H524 E525 E526 K530 M531 A532 N548 I552L503-L528 HydrophobicContact CD1-CD2 4.24Å; L503-L528 HydrophobicContact CD2-CD2 4.02Å; H524-L528 WeakPolarHBondContact O-CG 3.36Å; H524-L528 PolarHBondContact O-N 3.05Å; H524-L528 VanDerWaalsContact O-N 3.08Å; E525-L528 PolarHBondContact O-N 2.86Å; E526-L528 PolarHBondContact O-N 3.05Å; L528-K530 VanDerWaalsContact C-N 3.33Å; L528-K530 PolarHBondContact O-N 2.98Å; L528-M531 PolarHBondContact O-N 3.46Å; L528-A532 WeakPolarHBondContact O-CB 3.31Å; L528-A532 PolarHBondContact O-N 2.91Å; L528-N548 HydrophobicContact CD1-CB 3.98Å; L528-N548 HydrophobicContact CD2-CB 3.83Å; L528-I552 HydrophobicContact CB-CD1 3.99Å; L528-I552 HydrophobicContact CD1-CD1 3.85Å; L528-I552 HydrophobicContact CD1-CG1 4.48Å; L528-I552 HydrophobicContact CD1-CG2 4.01Å
529C97.3Very high94.4Very high6 Ų642.5 Ų42.54%0.04123%0.228CC..Hα-helixtrans-61.8-41.7176.9-75.40000111.8E525 E526 L527 A532 T533 F592 L637E525-C529 PolarHBondContact O-N 2.96Å; E525-C529 PolarHBondContact O-SG 2.79Å; E526-C529 PolarHBondContact O-N 2.53Å; L527-C529 PolarHBondContact O-N 3.05Å; C529-A532 WeakPolarHBondContact O-CB 3.3Å; C529-A532 PolarHBondContact O-N 3.07Å; C529-T533 WeakPolarHBondContact O-CG2 3.43Å; C529-T533 PolarHBondContact O-N 2.62Å; C529-T533 VanDerWaalsContact O-N 3.09Å; C529-F592 HydrophobicContact CB-CE1 3.97Å; C529-F592 HydrophobicContact CB-CZ 4.36Å; C529-L637 HydrophobicContact CB-CD2 4.32Å
530K95.9Very high94.5Very high62 Ų6242.1 Ų42.127%0.2723%0.231SC..Hα-helixtrans-66.3-44.4177.6-177167.9169.4-167.60112.2F369 D371 E526 L527 L528 A532 T533 S534F369-K530 WeakPolarHBondContact O-CD 3.46Å; F369-K530 WeakPolarHBondContact O-CE 3.31Å; F369-K530 PolarHBondContact O-NZ 3.38Å; D371-K530 IonicContact OD1-NZ 3.09Å; D371-K530 PolarHBondContact OD1-NZ 2.87Å; D371-K530 IonicContact OD2-NZ 2.7Å; D371-K530 PolarHBondContact OD2-NZ 3.28Å; E526-K530 WeakPolarHBondContact O-CB 3.26Å; E526-K530 PolarHBondContact O-N 2.88Å; L527-K530 PolarHBondContact O-N 2.71Å; L528-K530 VanDerWaalsContact C-N 3.33Å; L528-K530 PolarHBondContact O-N 2.98Å; K530-A532 VanDerWaalsContact C-N 3.28Å; K530-A532 PolarHBondContact O-N 3.05Å; K530-T533 PolarHBondContact O-N 3.46Å; K530-T533 VanDerWaalsContact O-N 3.14Å; K530-T533 PolarHBondContact O-OG1 3.07Å; K530-S534 PolarHBondContact O-N 3.28Å
531M97.2Very high94.6Very high0 Ų041.5 Ų41.50%023%0.227CC..Hα-helixtrans-56.2-45.8172.3-69.8173.685.200110.4A366 F369 L503 L527 L528 T533 S534 L537 L541 V545A366-M531 HydrophobicContact CB-CE 4.05Å; A366-M531 HydrophobicContact CB-SD 4.22Å; F369-M531 HydrophobicContact CB-CG 3.78Å; F369-M531 HydrophobicContact CD1-CB 4.48Å; F369-M531 HydrophobicContact CD1-CG 3.82Å; F369-M531 HydrophobicContact CD2-CE 4.05Å; F369-M531 HydrophobicContact CD2-CG 3.64Å; F369-M531 HydrophobicContact CD2-SD 4.27Å; F369-M531 HydrophobicContact CE1-CG 4.31Å; F369-M531 HydrophobicContact CE2-CE 4.08Å; F369-M531 HydrophobicContact CE2-CG 4.16Å; F369-M531 HydrophobicContact CG-CG 3.46Å; F369-M531 VanDerWaalsContact CG-CG 3.46Å; F369-M531 HydrophobicContact CZ-CG 4.47Å; L503-M531 HydrophobicContact CD1-CE 4.34Å; L503-M531 HydrophobicContact CD2-SD 4.2Å; L527-M531 HydrophobicContact CD1-CG 4.12Å; L527-M531 HydrophobicContact CD1-SD 3.87Å; L527-M531 HydrophobicContact CG-SD 3.95Å; L527-M531 WeakPolarHBondContact O-CB 3.32Å; L527-M531 VanDerWaalsContact O-CG 3.24Å; L527-M531 WeakPolarHBondContact O-CG 3.4Å; L527-M531 PolarHBondContact O-N 2.78Å; L528-M531 PolarHBondContact O-N 3.46Å; M531-T533 PolarHBondContact O-N 3.38Å; M531-S534 WeakPolarHBondContact O-CB 3.12Å; M531-S534 PolarHBondContact O-N 2.88Å; M531-S534 VanDerWaalsContact O-N 3.07Å; M531-L537 WeakPolarHBondContact O-CD1 3.18Å; M531-L541 HydrophobicContact CE-CB 4.38Å; M531-L541 HydrophobicContact CE-CD1 4.07Å; M531-L541 HydrophobicContact CE-CD2 3.87Å; M531-L541 HydrophobicContact CE-CG 4.35Å; M531-V545 HydrophobicContact CB-CG1 4.16Å; M531-V545 HydrophobicContact CB-CG2 3.95Å; M531-V545 HydrophobicContact CE-CG2 3.34Å; M531-V545 HydrophobicContact SD-CG2 3.97Å
532A96.5Very high94.8Very high1 Ų139.5 Ų39.51%0.00822%0.215CC..Hα-helixtrans-60.8-31.1178.700000113.8L528 C529 K530 L549 L637 F641L528-A532 WeakPolarHBondContact O-CB 3.31Å; L528-A532 PolarHBondContact O-N 2.91Å; C529-A532 WeakPolarHBondContact O-CB 3.3Å; C529-A532 PolarHBondContact O-N 3.07Å; K530-A532 VanDerWaalsContact C-N 3.28Å; K530-A532 PolarHBondContact O-N 3.05Å; A532-L549 HydrophobicContact CB-CD1 4.2Å; A532-L549 HydrophobicContact CB-CD2 3.52Å; A532-L549 HydrophobicContact CB-CG 4.46Å; A532-L637 HydrophobicContact CB-CD1 3.9Å; A532-L637 HydrophobicContact CB-CD2 4.18Å; A532-L637 HydrophobicContact CB-CG 3.99Å; A532-F641 HydrophobicContact CB-CD2 4.12Å
533T95.3Very high94.9Very high83 Ų8340.7 Ų40.751%0.50922%0.223SC..Hα-helixtrans-80.4-18.3176.660.30000114.4C529 K530 M531 E535 L637 R644C529-T533 WeakPolarHBondContact O-CG2 3.43Å; C529-T533 PolarHBondContact O-N 2.62Å; C529-T533 VanDerWaalsContact O-N 3.09Å; K530-T533 PolarHBondContact O-N 3.46Å; K530-T533 VanDerWaalsContact O-N 3.14Å; K530-T533 PolarHBondContact O-OG1 3.07Å; M531-T533 PolarHBondContact O-N 3.38Å; T533-E535 PolarHBondContact O-N 2.87Å; T533-L637 HydrophobicContact CG2-CD1 3.75Å; T533-R644 PolarHBondContact O-NH1 3.28Å
534S94Very high94.9Very high31 Ų3140.9 Ų40.922%0.21723%0.225CC..  trans-66.4132.6-175.2178.20000112.6K530 M531 N536 L537 R644K530-S534 PolarHBondContact O-N 3.28Å; M531-S534 WeakPolarHBondContact O-CB 3.12Å; M531-S534 PolarHBondContact O-N 2.88Å; M531-S534 VanDerWaalsContact O-N 3.07Å; S534-N536 PolarHBondContact O-N 3.05Å; S534-N536 PolarHBondContact OG-N 3.08Å; S534-N536 PolarHBondContact OG-O 2.88Å; S534-L537 VanDerWaalsContact O-CD1 3.31Å; S534-L537 WeakPolarHBondContact O-CD1 3.34Å; S534-R644 PolarHBondContact O-NH1 3.22Å
535E90.6Very high95Very high153 Ų15340.5 Ų40.572%0.71522%0.223SC*.SBendtrans-66.9-29.2177.3-65.7-176.6171.900112.3T533T533-E535 PolarHBondContact O-N 2.87Å
536N89Confident95Very high129 Ų12939.9 Ų39.969%0.6922%0.219SC*.  trans-123.9116.8-176.8-61.8-64.9000109.5S534S534-N536 PolarHBondContact O-N 3.05Å; S534-N536 PolarHBondContact OG-N 3.08Å; S534-N536 PolarHBondContact OG-O 2.88Å
537L94.5Very high95Very high21 Ų2143.3 Ų43.311%0.1124%0.235CC..  trans-120.8142.3169.1-83.975.8000109F369 M531 S534 L541 I542 V545 F641 F645F369-L537 HydrophobicContact CZ-CG 4.39Å; M531-L537 WeakPolarHBondContact O-CD1 3.18Å; S534-L537 VanDerWaalsContact O-CD1 3.31Å; S534-L537 WeakPolarHBondContact O-CD1 3.34Å; L537-L541 HydrophobicContact CD2-CB 4.35Å; L537-I542 HydrophobicContact CB-CG1 3.95Å; L537-V545 HydrophobicContact CD2-CB 4.28Å; L537-V545 HydrophobicContact CD2-CG1 4.45Å; L537-V545 HydrophobicContact CD2-CG2 3.96Å; L537-F641 HydrophobicContact CD2-CE2 3.81Å; L537-F641 HydrophobicContact CD2-CZ 3.98Å; L537-F645 HydrophobicContact CB-CZ 4.2Å; L537-F645 HydrophobicContact CD1-CE2 3.77Å; L537-F645 HydrophobicContact CD1-CZ 3.67Å; L537-F645 HydrophobicContact CG-CZ 4.48Å
538A94.2Very high95Very high27 Ų2743.3 Ų43.322%0.22324%0.235CC..  trans-60.9139.4167.500000109.7P363 P540 L541P363-A538 WeakPolarHBondContact O-CB 3.37Å; A538-P540 VanDerWaalsContact C-CD 3.45Å; A538-P540 VanDerWaalsContact C-N 3.33Å; A538-L541 HydrophobicContact CB-CD1 4.16Å; A538-L541 HydrophobicContact CB-CG 4.41Å; A538-L541 WeakPolarHBondContact O-CB 3.48Å; A538-L541 PolarHBondContact O-N 2.9Å
539L93.2Very high95Very high112 Ų11243.3 Ų43.359%0.58624%0.235SC*.Hα-helixtrans-48.9-45.1-174.7-179.563.3000113.8L541 I542 Q648L539-L541 PolarHBondContact O-N 2.89Å; L539-I542 HydrophobicContact CD1-CD1 4.14Å; L539-I542 PolarHBondContact O-N 3.19Å; L539-Q648 HydrophobicContact CD1-CB 3.82Å; L539-Q648 HydrophobicContact CD1-CG 4.09Å
540P91.7Very high95Very high88 Ų8845.9 Ų45.957%0.57125%0.249SC*.Hα-helixtrans-62.7-27.4178.5-23.335.5000114.3A500 A538 I542A500-P540 HydrophobicContact CB-CB 4.05Å; A500-P540 WeakPolarHBondContact CB-O 3.5Å; A538-P540 VanDerWaalsContact C-CD 3.45Å; A538-P540 VanDerWaalsContact C-N 3.33Å; P540-I542 VanDerWaalsContact C-N 3.35Å
541L95.6Very high95.1Very high0 Ų046.9 Ų46.90%025%0.254CS..Hα-helixtrans-75.9-23.5-179.8-66.1173.1000112.5P363 F369 A500 M531 L537 A538 L539 A544 V545P363-L541 VanDerWaalsContact O-CD1 3.25Å; P363-L541 WeakPolarHBondContact O-CD1 3.46Å; F369-L541 HydrophobicContact CE2-CD1 3.94Å; A500-L541 HydrophobicContact CB-CD2 3.75Å; A500-L541 HydrophobicContact CB-CG 4.42Å; M531-L541 HydrophobicContact CE-CB 4.38Å; M531-L541 HydrophobicContact CE-CD1 4.07Å; M531-L541 HydrophobicContact CE-CD2 3.87Å; M531-L541 HydrophobicContact CE-CG 4.35Å; L537-L541 HydrophobicContact CD2-CB 4.35Å; A538-L541 HydrophobicContact CB-CD1 4.16Å; A538-L541 HydrophobicContact CB-CG 4.41Å; A538-L541 WeakPolarHBondContact O-CB 3.48Å; A538-L541 PolarHBondContact O-N 2.9Å; L539-L541 PolarHBondContact O-N 2.89Å; L541-A544 PolarHBondContact O-N 2.93Å; L541-V545 HydrophobicContact CB-CG2 4.47Å; L541-V545 VanDerWaalsContact O-CB 3.28Å; L541-V545 WeakPolarHBondContact O-CB 3.43Å; L541-V545 WeakPolarHBondContact O-CG2 3.27Å; L541-V545 PolarHBondContact O-N 2.93Å
542I96.1Very high95.1Very high4 Ų447.4 Ų47.42%0.02126%0.257CS..Hα-helixtrans-60.3-55.6-171.1-68.2175.8000111.3L537 L539 P540 V545 Y546 F641 F645 Q648 L649L537-I542 HydrophobicContact CB-CG1 3.95Å; L539-I542 HydrophobicContact CD1-CD1 4.14Å; L539-I542 PolarHBondContact O-N 3.19Å; P540-I542 VanDerWaalsContact C-N 3.35Å; I542-V545 PolarHBondContact O-N 3.33Å; I542-Y546 PolarHBondContact O-N 3.38Å; I542-F641 HydrophobicContact CG2-CE1 4.1Å; I542-F641 HydrophobicContact CG2-CZ 4.26Å; I542-F641 WeakPolarHBondContact O-CE1 3.45Å; I542-F641 WeakPolarHBondContact O-CZ 3.47Å; I542-F645 HydrophobicContact CD1-CB 4.3Å; I542-F645 HydrophobicContact CD1-CD1 3.57Å; I542-F645 HydrophobicContact CD1-CE1 4.13Å; I542-F645 HydrophobicContact CD1-CG 4.08Å; I542-F645 HydrophobicContact CG1-CD1 4.11Å; I542-F645 HydrophobicContact CG1-CG 4.25Å; I542-F645 HydrophobicContact CG2-CB 3.54Å; I542-F645 HydrophobicContact CG2-CG 4.08Å; I542-Q648 HydrophobicContact CD1-CB 3.78Å; I542-Q648 HydrophobicContact CD1-CG 4.15Å; I542-Q648 HydrophobicContact CG2-CB 4.35Å; I542-L649 HydrophobicContact CG2-CD2 3.74Å; I542-L649 HydrophobicContact CG2-CG 4.12Å
543T94.5Very high95.1Very high35 Ų3547.3 Ų47.322%0.21526%0.256CS..Hα-helixtrans-63.5-46-180-54.50000111.1V545 Y546 E547T543-V545 PolarHBondContact O-N 3.41Å; T543-Y546 PolarHBondContact O-N 3.18Å; T543-E547 HydrophobicContact CG2-CG 4.45Å; T543-E547 WeakPolarHBondContact O-CG 3.46Å; T543-E547 PolarHBondContact O-N 3.07Å
544A95.6Very high95.3Very high13 Ų1346.4 Ų46.411%0.10725%0.253CS..Hα-helixtrans-64.1-38.6-177.900000112.6A500 L503 L541 N548A500-A544 HydrophobicContact CB-CB 4.03Å; A500-A544 WeakPolarHBondContact O-CB 3.29Å; L503-A544 HydrophobicContact CD1-CB 3.82Å; L541-A544 PolarHBondContact O-N 2.93Å; A544-N548 WeakPolarHBondContact O-CB 3.42Å; A544-N548 PolarHBondContact O-N 3.14Å; A544-N548 PolarHBondContact O-ND2 3.35Å
545V97.2Very high95.4Very high0 Ų047.3 Ų47.30%026%0.255CS..Hα-helixtrans-66.3-46.5174.3169.90000110.5L503 M531 L537 L541 I542 T543 E547 N548 L549 F641L503-V545 HydrophobicContact CD1-CG2 3.8Å; M531-V545 HydrophobicContact CB-CG1 4.16Å; M531-V545 HydrophobicContact CB-CG2 3.95Å; M531-V545 HydrophobicContact CE-CG2 3.34Å; M531-V545 HydrophobicContact SD-CG2 3.97Å; L537-V545 HydrophobicContact CD2-CB 4.28Å; L537-V545 HydrophobicContact CD2-CG1 4.45Å; L537-V545 HydrophobicContact CD2-CG2 3.96Å; L541-V545 HydrophobicContact CB-CG2 4.47Å; L541-V545 VanDerWaalsContact O-CB 3.28Å; L541-V545 WeakPolarHBondContact O-CB 3.43Å; L541-V545 WeakPolarHBondContact O-CG2 3.27Å; L541-V545 PolarHBondContact O-N 2.93Å; I542-V545 PolarHBondContact O-N 3.33Å; T543-V545 PolarHBondContact O-N 3.41Å; V545-E547 PolarHBondContact O-N 3.32Å; V545-N548 PolarHBondContact O-N 2.91Å; V545-L549 WeakPolarHBondContact O-CA 3.44Å; V545-L549 WeakPolarHBondContact O-CB 3.26Å; V545-L549 PolarHBondContact O-N 3.45Å; V545-F641 HydrophobicContact CB-CE2 4.33Å; V545-F641 HydrophobicContact CB-CZ 4.01Å; V545-F641 HydrophobicContact CG1-CD2 4.44Å; V545-F641 HydrophobicContact CG1-CE2 3.71Å; V545-F641 HydrophobicContact CG1-CZ 3.85Å
546Y96.6Very high95.7Very high31 Ų3140.4 Ų40.412%0.12222%0.223CC..Hα-helixtrans-57.2-49.6179.4173.1-98.2000112.1I542 T543 L549 N550 L638 F641 E642 L649 L651I542-Y546 PolarHBondContact O-N 3.38Å; T543-Y546 PolarHBondContact O-N 3.18Å; Y546-L549 PolarHBondContact O-N 2.88Å; Y546-N550 VanDerWaalsContact O-CB 3.3Å; Y546-N550 WeakPolarHBondContact O-CB 3.16Å; Y546-N550 PolarHBondContact O-N 2.88Å; Y546-L638 HydrophobicContact CD2-CD1 3.64Å; Y546-L638 HydrophobicContact CE2-CD1 3.55Å; Y546-L638 HydrophobicContact CE2-CG 4.06Å; Y546-F641 HydrophobicContact CD2-CD1 4.13Å; Y546-E642 HydrophobicContact CD2-CG 3.93Å; Y546-E642 HydrophobicContact CE2-CG 3.38Å; Y546-E642 VanDerWaalsContact CE2-OE1 3.25Å; Y546-E642 WeakPolarHBondContact CE2-OE1 3.2Å; Y546-E642 PolarHBondContact OH-OE1 2.9Å; Y546-L649 HydrophobicContact CD1-CD2 4.18Å; Y546-L649 HydrophobicContact CD2-CD1 4.08Å; Y546-L649 HydrophobicContact CD2-CD2 4.5Å; Y546-L649 HydrophobicContact CE2-CD1 4.47Å; Y546-L649 HydrophobicContact CG-CD1 4.17Å; Y546-L649 HydrophobicContact CG-CD2 3.83Å; Y546-L651 HydrophobicContact CD1-CD2 4.14Å; Y546-L651 HydrophobicContact CE1-CD2 3.56Å
547E96Very high96.1Very high109 Ų10936.1 Ų36.151%0.50920%0.202SC..Hα-helixtrans-61.1-48.6-179.4-70.4176163.700111.9T543 V545 N550 E551T543-E547 HydrophobicContact CG2-CG 4.45Å; T543-E547 WeakPolarHBondContact O-CG 3.46Å; T543-E547 PolarHBondContact O-N 3.07Å; V545-E547 PolarHBondContact O-N 3.32Å; E547-N550 PolarHBondContact O-N 3.45Å; E547-E551 WeakPolarHBondContact O-CB 3.16Å; E547-E551 PolarHBondContact O-N 3.33Å
548N97.5Very high96.3Very high5 Ų541 Ų413%0.02723%0.225CC..Hα-helixtrans-71.9-34.9-178.5-74.5-84.2000112.2P504 R507 L528 A544 V545 E551 I552P504-N548 WeakPolarHBondContact CA-OD1 3.13Å; R507-N548 PolarHBondContact NE-OD1 3.43Å; L528-N548 HydrophobicContact CD1-CB 3.98Å; L528-N548 HydrophobicContact CD2-CB 3.83Å; A544-N548 WeakPolarHBondContact O-CB 3.42Å; A544-N548 PolarHBondContact O-N 3.14Å; A544-N548 PolarHBondContact O-ND2 3.35Å; V545-N548 PolarHBondContact O-N 2.91Å; N548-E551 PolarHBondContact O-N 2.97Å; N548-I552 WeakPolarHBondContact O-CG2 3.4Å; N548-I552 PolarHBondContact O-N 2.88Å
549L97.2Very high96.4Very high0 Ų041.1 Ų41.10%022%0.221CC..Hα-helixtrans-63.6-47.3174.1-17868.3000110.8A532 V545 Y546 E551 I552 I553 L637 L638A532-L549 HydrophobicContact CB-CD1 4.2Å; A532-L549 HydrophobicContact CB-CD2 3.52Å; A532-L549 HydrophobicContact CB-CG 4.46Å; V545-L549 WeakPolarHBondContact O-CA 3.44Å; V545-L549 WeakPolarHBondContact O-CB 3.26Å; V545-L549 PolarHBondContact O-N 3.45Å; Y546-L549 PolarHBondContact O-N 2.88Å; L549-E551 VanDerWaalsContact C-N 3.27Å; L549-E551 PolarHBondContact O-N 2.95Å; L549-I552 HydrophobicContact CD1-CD1 4.19Å; L549-I552 HydrophobicContact CD1-CG1 4.45Å; L549-I552 VanDerWaalsContact O-CG1 3.23Å; L549-I552 WeakPolarHBondContact O-CG1 3.29Å; L549-I552 PolarHBondContact O-N 2.87Å; L549-I553 HydrophobicContact CD1-CD1 3.97Å; L549-I553 HydrophobicContact CD1-CG1 4.45Å; L549-I553 HydrophobicContact CD2-CD1 4.43Å; L549-I553 HydrophobicContact CG-CD1 3.74Å; L549-I553 WeakPolarHBondContact O-CB 3.31Å; L549-I553 WeakPolarHBondContact O-CD1 3.48Å; L549-I553 WeakPolarHBondContact O-CG1 3.32Å; L549-I553 PolarHBondContact O-N 2.93Å; L549-L637 HydrophobicContact CD1-CD2 4.12Å; L549-L637 HydrophobicContact CD2-CG 4.38Å; L549-L638 HydrophobicContact CB-CD1 4.42Å; L549-L638 HydrophobicContact CD2-CD1 3.83Å; L549-L638 HydrophobicContact CG-CD1 4.13Å
550N97.3Very high96.5Very high60 Ų6037 Ų3732%0.32120%0.198SC..Hα-helixtrans-57.1-44.2175.6-179.951.2000111Y546 E547 I553 C554 L638Y546-N550 VanDerWaalsContact O-CB 3.3Å; Y546-N550 WeakPolarHBondContact O-CB 3.16Å; Y546-N550 PolarHBondContact O-N 2.88Å; E547-N550 PolarHBondContact O-N 3.45Å; N550-I553 PolarHBondContact O-N 2.73Å; N550-C554 WeakPolarHBondContact O-CB 3.32Å; N550-C554 PolarHBondContact O-N 2.95Å; N550-C554 PolarHBondContact O-SG 3.08Å; N550-L638 HydrophobicContact CB-CD1 4.15Å; N550-L638 HydrophobicContact CB-CD2 4.08Å; N550-L638 WeakPolarHBondContact OD1-CD2 3.48Å
551E97.3Very high96.6Very high82 Ų8237.3 Ų37.338%0.38320%0.202SC..Hα-helixtrans-66.1-42.4-178.2-156.8170.317000113.3R507 E547 N548 L549 C554 L555R507-E551 IonicContact CZ-OE1 3.94Å; R507-E551 IonicContact CZ-OE2 3.94Å; R507-E551 IonicContact NE-OE2 3.58Å; R507-E551 PolarHBondContact NE-OE2 3.45Å; R507-E551 IonicContact NH1-OE1 2.73Å; R507-E551 PolarHBondContact NH1-OE1 3.15Å; R507-E551 IonicContact NH1-OE2 2.8Å; R507-E551 PolarHBondContact NH1-OE2 3.29Å; R507-E551 IonicContact NH2-OE1 3.88Å; R507-E551 PolarHBondContact NH2-OE1 2.94Å; R507-E551 IonicContact NH2-OE2 2.63Å; R507-E551 PolarHBondContact NH2-OE2 2.94Å; E547-E551 WeakPolarHBondContact O-CB 3.16Å; E547-E551 PolarHBondContact O-N 3.33Å; N548-E551 PolarHBondContact O-N 2.97Å; L549-E551 VanDerWaalsContact C-N 3.27Å; L549-E551 PolarHBondContact O-N 2.95Å; E551-C554 PolarHBondContact O-N 2.97Å; E551-L555 WeakPolarHBondContact O-CB 3.37Å; E551-L555 PolarHBondContact O-N 2.85Å
552I96.9Very high96.4Very high11 Ų1142 Ų426%0.05623%0.231CC..Hα-helixtrans-67.6-36175.367.6171.8000111.8E525 L528 N548 L549 E556 L593E525-I552 HydrophobicContact CB-CD1 4.48Å; L528-I552 HydrophobicContact CB-CD1 3.99Å; L528-I552 HydrophobicContact CD1-CD1 3.85Å; L528-I552 HydrophobicContact CD1-CG1 4.48Å; L528-I552 HydrophobicContact CD1-CG2 4.01Å; N548-I552 WeakPolarHBondContact O-CG2 3.4Å; N548-I552 PolarHBondContact O-N 2.88Å; L549-I552 HydrophobicContact CD1-CD1 4.19Å; L549-I552 HydrophobicContact CD1-CG1 4.45Å; L549-I552 VanDerWaalsContact O-CG1 3.23Å; L549-I552 WeakPolarHBondContact O-CG1 3.29Å; L549-I552 PolarHBondContact O-N 2.87Å; I552-E556 WeakPolarHBondContact O-CB 3.37Å; I552-E556 PolarHBondContact O-N 3Å; I552-L593 HydrophobicContact CB-CD1 4.4Å; I552-L593 HydrophobicContact CD1-CD1 4.27Å; I552-L593 HydrophobicContact CG1-CD1 4.47Å
553I97.8Very high96.1Very high0 Ų043.1 Ų43.10%024%0.237CC..Hα-helixtrans-68.1-41.9177.8-69.7168.7000110.9L549 N550 E556 S557 L634 Q635 L638L549-I553 HydrophobicContact CD1-CD1 3.97Å; L549-I553 HydrophobicContact CD1-CG1 4.45Å; L549-I553 HydrophobicContact CD2-CD1 4.43Å; L549-I553 HydrophobicContact CG-CD1 3.74Å; L549-I553 WeakPolarHBondContact O-CB 3.31Å; L549-I553 WeakPolarHBondContact O-CD1 3.48Å; L549-I553 WeakPolarHBondContact O-CG1 3.32Å; L549-I553 PolarHBondContact O-N 2.93Å; N550-I553 PolarHBondContact O-N 2.73Å; I553-E556 PolarHBondContact O-N 2.88Å; I553-S557 VanDerWaalsContact O-CB 3.32Å; I553-S557 WeakPolarHBondContact O-CB 3.45Å; I553-S557 PolarHBondContact O-N 2.82Å; I553-S557 PolarHBondContact O-OG 2.89Å; I553-L634 HydrophobicContact CD1-CB 4.43Å; I553-L634 VanDerWaalsContact CD1-O 3.3Å; I553-L634 WeakPolarHBondContact CD1-O 3.34Å; I553-L634 HydrophobicContact CG1-CB 4.17Å; I553-L634 HydrophobicContact CG1-CD2 4.41Å; I553-L634 HydrophobicContact CG2-CB 4.14Å; I553-Q635 VanDerWaalsContact CG2-NE2 3.34Å; I553-L638 HydrophobicContact CD1-CB 3.91Å
554C97.8Very high95.5Very high64 Ų6444.3 Ų44.343%0.43225%0.245SC..Hα-helixtrans-62.6-47.6176.8-72.70000110.9N550 E551 S557 Q558N550-C554 WeakPolarHBondContact O-CB 3.32Å; N550-C554 PolarHBondContact O-N 2.95Å; N550-C554 PolarHBondContact O-SG 3.08Å; E551-C554 PolarHBondContact O-N 2.97Å; C554-S557 PolarHBondContact O-N 2.88Å; C554-Q558 PolarHBondContact O-N 2.7Å
555L96.6Very high95Very high49 Ų4948.7 Ų48.726%0.25728%0.275SS..Hα-helixtrans-62.6-45.5177.7179.457.8000111.9E551 S557 Q558 L559E551-L555 WeakPolarHBondContact O-CB 3.37Å; E551-L555 PolarHBondContact O-N 2.85Å; L555-S557 VanDerWaalsContact C-N 3.3Å; L555-S557 PolarHBondContact O-N 3.23Å; L555-Q558 PolarHBondContact O-N 3.41Å; L555-L559 HydrophobicContact CD1-CD1 4.07Å; L555-L559 HydrophobicContact CD1-CG 4.15Å; L555-L559 HydrophobicContact CG-CD1 3.95Å; L555-L559 HydrophobicContact CG-CG 4.46Å; L555-L559 WeakPolarHBondContact O-CB 3.28Å; L555-L559 VanDerWaalsContact O-CG 3.28Å; L555-L559 WeakPolarHBondContact O-CG 3.42Å; L555-L559 PolarHBondContact O-N 3.37Å
556E97.5Very high94.5Very high9 Ų949.8 Ų49.84%0.04228%0.282CS..Hα-helixtrans-61.1-40.2176.5176.566.2174.800111.6I552 I553 Q558 L559 R560 L593 S594 L634I552-E556 WeakPolarHBondContact O-CB 3.37Å; I552-E556 PolarHBondContact O-N 3Å; I553-E556 PolarHBondContact O-N 2.88Å; E556-Q558 PolarHBondContact O-N 2.78Å; E556-L559 PolarHBondContact O-N 3.28Å; E556-R560 WeakPolarHBondContact O-CB 3.28Å; E556-R560 VanDerWaalsContact O-CG 3.25Å; E556-R560 WeakPolarHBondContact O-CG 3.25Å; E556-R560 PolarHBondContact O-N 3.11Å; E556-R560 IonicContact OE1-CZ 2.59Å; E556-R560 IonicContact OE1-NE 3.46Å; E556-R560 PolarHBondContact OE1-NE 3.05Å; E556-R560 IonicContact OE1-NH2 3.34Å; E556-R560 PolarHBondContact OE1-NH2 2.96Å; E556-L593 HydrophobicContact CB-CD1 4.03Å; E556-L593 HydrophobicContact CG-CB 4.23Å; E556-L593 HydrophobicContact CG-CD1 4.16Å; E556-S594 WeakPolarHBondContact OE1-CB 3.47Å; E556-S594 PolarHBondContact OE1-OG 3.15Å; E556-S594 PolarHBondContact OE2-OG 3.19Å; E556-L634 HydrophobicContact CG-CD1 3.85Å
557S97.6Very high93.8Very high38 Ų3852.6 Ų52.627%0.26631%0.306SS..Hα-helixtrans-64-41.2176.9-60.20000111.8I553 C554 L555 S561I553-S557 VanDerWaalsContact O-CB 3.32Å; I553-S557 WeakPolarHBondContact O-CB 3.45Å; I553-S557 PolarHBondContact O-N 2.82Å; I553-S557 PolarHBondContact O-OG 2.89Å; C554-S557 PolarHBondContact O-N 2.88Å; L555-S557 VanDerWaalsContact C-N 3.3Å; L555-S557 PolarHBondContact O-N 3.23Å; S557-S561 PolarHBondContact O-N 3.04Å; S557-S561 VanDerWaalsContact O-N 3.09Å
558Q97.5Very high93.6Very high125 Ų12549.7 Ų49.758%0.58430%0.297SS*.Hα-helixtrans-65.4-43.8174.9-175.3-177.62.400111.8C554 L555 E556 R560 S561 T562C554-Q558 PolarHBondContact O-N 2.7Å; L555-Q558 PolarHBondContact O-N 3.41Å; E556-Q558 PolarHBondContact O-N 2.78Å; Q558-R560 VanDerWaalsContact C-N 3.33Å; Q558-R560 PolarHBondContact O-N 3.21Å; Q558-S561 PolarHBondContact O-N 3.05Å; Q558-S561 PolarHBondContact O-OG 3.4Å; Q558-T562 WeakPolarHBondContact O-CG2 3.47Å; Q558-T562 PolarHBondContact O-N 3.39Å; Q558-T562 PolarHBondContact O-OG1 2.9Å
559L96.6Very high93.6Very high29 Ų2956.3 Ų56.315%0.15232%0.322CS..Hα-helixtrans-67.5-34.5179.1-70.1170.9000112.3L555 E556 T562 L563 L608 R609L555-L559 HydrophobicContact CD1-CD1 4.07Å; L555-L559 HydrophobicContact CD1-CG 4.15Å; L555-L559 HydrophobicContact CG-CD1 3.95Å; L555-L559 HydrophobicContact CG-CG 4.46Å; L555-L559 WeakPolarHBondContact O-CB 3.28Å; L555-L559 VanDerWaalsContact O-CG 3.28Å; L555-L559 WeakPolarHBondContact O-CG 3.42Å; L555-L559 PolarHBondContact O-N 3.37Å; E556-L559 PolarHBondContact O-N 3.28Å; L559-T562 PolarHBondContact O-OG1 3.33Å; L559-T562 VanDerWaalsContact O-OG1 3.07Å; L559-L563 PolarHBondContact O-N 3.46Å; L559-L608 HydrophobicContact CB-CB 3.75Å; L559-L608 HydrophobicContact CB-CD1 3.78Å; L559-L608 HydrophobicContact CB-CG 4.44Å; L559-L608 HydrophobicContact CD1-CB 4.23Å; L559-L608 HydrophobicContact CD2-CB 4.47Å; L559-L608 HydrophobicContact CG-CB 4.37Å; L559-R609 HydrophobicContact CD1-CG 3.69Å; L559-R609 HydrophobicContact CD2-CG 4.01Å
560R95.9Very high93.5Very high26 Ų2661.4 Ų61.410%0.09834%0.341CS..Hα-helixtrans-69.7-33.5174.1-73.9176.8-175.9-160.63.3112.7E556 Q558 T562 L563 L593 L608 F625 H629 S631E556-R560 WeakPolarHBondContact O-CB 3.28Å; E556-R560 VanDerWaalsContact O-CG 3.25Å; E556-R560 WeakPolarHBondContact O-CG 3.25Å; E556-R560 PolarHBondContact O-N 3.11Å; E556-R560 IonicContact OE1-CZ 2.59Å; E556-R560 IonicContact OE1-NE 3.46Å; E556-R560 PolarHBondContact OE1-NE 3.05Å; E556-R560 IonicContact OE1-NH2 3.34Å; E556-R560 PolarHBondContact OE1-NH2 2.96Å; Q558-R560 VanDerWaalsContact C-N 3.33Å; Q558-R560 PolarHBondContact O-N 3.21Å; R560-T562 VanDerWaalsContact C-N 3.35Å; R560-L563 WeakPolarHBondContact O-CB 3.25Å; R560-L563 PolarHBondContact O-N 3.09Å; R560-L593 PolarHBondContact NH2-O 2.98Å; R560-L608 HydrophobicContact CG-CD1 3.85Å; R560-F625 HydrophobicContact CG-CE2 4.38Å; R560-F625 HydrophobicContact CG-CZ 3.99Å; R560-H629 PolarHBondContact NH1-O 3.11Å; R560-H629 PolarHBondContact NH2-O 3.47Å; R560-S631 PolarHBondContact NH1-OG 3.09Å
561S94.2Very high93.6Very high94 Ų9462.2 Ų62.266%0.65735%0.345SS*.Hα-helixtrans-75.7-23.9-179.171.20000113.3S557 Q558S557-S561 PolarHBondContact O-N 3.04Å; S557-S561 VanDerWaalsContact O-N 3.09Å; Q558-S561 PolarHBondContact O-N 3.05Å; Q558-S561 PolarHBondContact O-OG 3.4Å
562T91.5Very high93.6Very high99 Ų9958.7 Ų58.761%0.60733%0.33SS*.SBendtrans-86.2-8.3174.259.80000113.3Q558 L559 R560Q558-T562 WeakPolarHBondContact O-CG2 3.47Å; Q558-T562 PolarHBondContact O-N 3.39Å; Q558-T562 PolarHBondContact O-OG1 2.9Å; L559-T562 PolarHBondContact O-OG1 3.33Å; L559-T562 VanDerWaalsContact O-OG1 3.07Å; R560-T562 VanDerWaalsContact C-N 3.35Å
563L89.5Confident93.6Very high27 Ų2763.2 Ų63.214%0.14135%0.347CS..SBendtrans-69.5131.7179.8-166.370.4000110.3L559 R560 V566 L608 V611 F625L559-L563 PolarHBondContact O-N 3.46Å; R560-L563 WeakPolarHBondContact O-CB 3.25Å; R560-L563 PolarHBondContact O-N 3.09Å; L563-V566 HydrophobicContact CD2-CG1 4.21Å; L563-V566 HydrophobicContact CG-CG1 4.48Å; L563-L608 HydrophobicContact CD1-CD2 4.27Å; L563-V611 HydrophobicContact CD1-CG1 4.24Å; L563-V611 HydrophobicContact CD1-CG2 4.1Å; L563-F625 HydrophobicContact CD2-CB 4.27Å; L563-F625 HydrophobicContact CD2-CD2 3.57Å; L563-F625 HydrophobicContact CD2-CE2 4.14Å; L563-F625 HydrophobicContact CD2-CG 4.05Å
564P82.3Confident93.6Very high59 Ų5963.2 Ų63.238%0.38335%0.347SS..PPolyproline II helixtrans-56.1160.4170.8-24.834.7000112.3V566 L620P564-V566 PolarHBondContact O-N 2.87Å; P564-V566 VanDerWaalsContact O-N 3.09Å; P564-L620 HydrophobicContact CG-CD1 4.2Å
565S84.5Confident93.4Very high105 Ų10563.4 Ų63.473%0.73434%0.341SS*.PPolyproline II helixtrans-60.6116.9172.8-67.60000109.9Q621S565-Q621 WeakPolarHBondContact O-CG 3.17Å
566V85.5Confident93.4Very high24 Ų2468.7 Ų68.715%0.14536%0.362CS..PPolyproline II helixtrans-102.9141176.7-67.60000109.8L563 P564 S568 R569 L596 F625L563-V566 HydrophobicContact CD2-CG1 4.21Å; L563-V566 HydrophobicContact CG-CG1 4.48Å; P564-V566 PolarHBondContact O-N 2.87Å; P564-V566 VanDerWaalsContact O-N 3.09Å; V566-S568 VanDerWaalsContact C-N 3.33Å; V566-R569 HydrophobicContact CG2-CG 4.11Å; V566-L596 HydrophobicContact CG1-CD1 3.9Å; V566-F625 HydrophobicContact CG2-CB 3.73Å
567S83Confident93.2Very high89 Ų8969.9 Ų69.962%0.62237%0.368SS*.SBendtrans-76-24.8-178.6-53.10000112.6Q621S567-Q621 WeakPolarHBondContact CB-O 3.39Å; S567-Q621 PolarHBondContact N-O 2.86Å; S567-Q621 PolarHBondContact OG-O 3.45Å
568S92.5Very high93Very high48 Ų4871.1 Ų71.134%0.33638%0.375SS..EExtended strand (participates in β ladder)trans-126.6130.7-172.6177.10000111.1V566 T624 F625V566-S568 VanDerWaalsContact C-N 3.33Å; S568-T624 WeakPolarHBondContact CB-OG1 3.12Å; S568-T624 WeakPolarHBondContact O-CA 3.32Å; S568-T624 WeakPolarHBondContact OG-CG2 3.29Å; S568-T624 PolarHBondContact OG-OG1 3.01Å; S568-F625 PolarHBondContact O-N 3.26Å
569R95.7Very high92.5Very high145 Ų14568 Ų6855%0.54736%0.363SS..EExtended strand (participates in β ladder)trans-128.6132.5174.8-58.1177.975.3100.6-3.7108.8V566 F625 Y627V566-R569 HydrophobicContact CG2-CG 4.11Å; R569-F625 CarbonylContact C-O 3.51Å; R569-F625 VanDerWaalsContact CA-O 3.28Å; R569-F625 WeakPolarHBondContact CA-O 3.31Å; R569-F625 HydrophobicContact CB-CD1 4.5Å; R569-F625 HydrophobicContact CG-CB 4.4Å; R569-F625 HydrophobicContact CG-CD1 4.25Å; R569-F625 VanDerWaalsContact NH2-CE1 3.28Å; R569-Y627 HydrophobicContact CB-CE1 4.13Å
570R96.8Very high92.1Very high106 Ų10672.3 Ų72.340%0.439%0.386SS..EExtended strand (participates in β ladder)trans-134.6116.6-174.6-177.7168.365.81741.7111.8T572 E597 T624 F625 R626 Y627R570-T572 PolarHBondContact O-N 3Å; R570-T572 PolarHBondContact O-OG1 2.96Å; R570-E597 IonicContact CZ-OE2 2.79Å; R570-E597 IonicContact NH2-OE1 2.67Å; R570-E597 PolarHBondContact NH2-OE1 3.1Å; R570-E597 IonicContact NH2-OE2 2.71Å; R570-E597 PolarHBondContact NH2-OE2 3.08Å; R570-T624 HydrophobicContact CB-CG2 3.81Å; R570-F625 PolarHBondContact N-O 2.9Å; R570-R626 VanDerWaalsContact O-CA 3.3Å; R570-R626 WeakPolarHBondContact O-CA 3.47Å; R570-Y627 PolarHBondContact O-N 2.75Å; R570-Y627 VanDerWaalsContact O-N 3.12Å
571L98Very high92Very high77 Ų7777 Ų7740%0.40341%0.409SS..EExtended strand (participates in β ladder)trans-57.5126165.8178.664.7000109Y573 Y627 R628L571-Y573 HydrophobicContact CD2-CE2 4.31Å; L571-Y573 HydrophobicContact CG-CE2 4.5Å; L571-Y627 CarbonylContact C-O 3.46Å; L571-Y627 WeakPolarHBondContact CA-O 3.49Å; L571-Y627 HydrophobicContact CD1-CD2 4.38Å; L571-Y627 HydrophobicContact CD1-CE2 4.09Å; L571-R628 WeakPolarHBondContact CD1-O 3.47Å
572T98Very high92.1Very high9 Ų973.1 Ų73.16%0.05538%0.38CS..  trans-131125.8-177.2-630000109.6R570 F574 I577 R626 Y627 R628R570-T572 PolarHBondContact O-N 3Å; R570-T572 PolarHBondContact O-OG1 2.96Å; T572-F574 HydrophobicContact CG2-CD1 3.99Å; T572-F574 HydrophobicContact CG2-CD2 3.79Å; T572-F574 HydrophobicContact CG2-CE1 3.97Å; T572-F574 HydrophobicContact CG2-CE2 3.82Å; T572-F574 HydrophobicContact CG2-CG 3.92Å; T572-F574 HydrophobicContact CG2-CZ 3.91Å; T572-F574 WeakPolarHBondContact O-CD2 3.47Å; T572-F574 PolarHBondContact O-N 3.19Å; T572-I577 HydrophobicContact CG2-CD1 3.82Å; T572-R626 PolarHBondContact OG1-NE 2.84Å; T572-R626 VanDerWaalsContact OG1-NE 3.11Å; T572-Y627 PolarHBondContact N-O 2.74Å; T572-R628 WeakPolarHBondContact O-CA 3.31Å; T572-R628 WeakPolarHBondContact O-CD 3.2Å
573Y97.3Very high92.3Very high106 Ų10670.9 Ų70.942%0.41636%0.362SS..  trans-85.182.2170.4-64.1-86.2000109L571 E575 K576L571-Y573 HydrophobicContact CD2-CE2 4.31Å; L571-Y573 HydrophobicContact CG-CE2 4.5Å; Y573-E575 WeakPolarHBondContact CA-OE2 3.21Å; Y573-E575 PolarHBondContact O-N 3.13Å; Y573-K576 HydrophobicContact CG-CD 4.42Å; Y573-K576 WeakPolarHBondContact O-CB 3.16Å; Y573-K576 PolarHBondContact O-N 3.45Å
574F97.1Very high92.6Very high0 Ų069.7 Ų69.70%036%0.356CS..G310 helixtrans-59.9-31.8-175.9-71.3-90.1000112.4T572 K576 I577 R582 L591 F592 R626 R628T572-F574 HydrophobicContact CG2-CD1 3.99Å; T572-F574 HydrophobicContact CG2-CD2 3.79Å; T572-F574 HydrophobicContact CG2-CE1 3.97Å; T572-F574 HydrophobicContact CG2-CE2 3.82Å; T572-F574 HydrophobicContact CG2-CG 3.92Å; T572-F574 HydrophobicContact CG2-CZ 3.91Å; T572-F574 WeakPolarHBondContact O-CD2 3.47Å; T572-F574 PolarHBondContact O-N 3.19Å; F574-K576 PolarHBondContact O-N 3.02Å; F574-K576 VanDerWaalsContact O-N 3.15Å; F574-I577 HydrophobicContact CD1-CD1 4.46Å; F574-I577 WeakPolarHBondContact O-CB 3.37Å; F574-I577 PolarHBondContact O-N 2.81Å; F574-R582 WeakPolarHBondContact O-CD 3.49Å; F574-R582 PolarHBondContact O-NH1 2.91Å; F574-L591 HydrophobicContact CD1-CB 4.22Å; F574-L591 VanDerWaalsContact CD1-O 3.27Å; F574-L591 WeakPolarHBondContact CD1-O 3.11Å; F574-L591 HydrophobicContact CE1-CB 4.05Å; F574-F592 HydrophobicContact CB-CD2 4.14Å; F574-F592 WeakPolarHBondContact CD2-O 3.35Å; F574-F592 WeakPolarHBondContact CE2-O 3.44Å; F574-R626 HydrophobicContact CZ-CB 3.83Å; F574-R628 HydrophobicContact CD2-CB 3.95Å; F574-R628 HydrophobicContact CE2-CB 4.34Å
575E94.3Very high93.2Very high67 Ų6770 Ų7031%0.31336%0.36SS..G310 helixtrans-61.9-14.9175.267.9-87.3-150.400114.2E526 Y573 R582 F592 R628E526-E575 VanDerWaalsContact OE1-CB 3.28Å; E526-E575 WeakPolarHBondContact OE1-CB 3.18Å; Y573-E575 WeakPolarHBondContact CA-OE2 3.21Å; Y573-E575 PolarHBondContact O-N 3.13Å; E575-R582 VanDerWaalsContact CA-NH1 3.32Å; E575-F592 HydrophobicContact CB-CE2 4.49Å; E575-R628 VanDerWaalsContact CD-NE 3.28Å; E575-R628 IonicContact OE1-CZ 2.78Å; E575-R628 VanDerWaalsContact OE1-CZ 3.25Å; E575-R628 IonicContact OE1-NE 3.67Å; E575-R628 PolarHBondContact OE1-NE 3.37Å; E575-R628 IonicContact OE1-NH2 3.5Å; E575-R628 PolarHBondContact OE1-NH2 2.78Å; E575-R628 VanDerWaalsContact OE2-CD 3.3Å; E575-R628 WeakPolarHBondContact OE2-CD 3.33Å; E575-R628 IonicContact OE2-NE 2.82Å; E575-R628 PolarHBondContact OE2-NE 2.9Å
576K95.3Very high93.6Very high160 Ų16066.1 Ų66.170%0.69633%0.331SS*.G310 helixtrans-95.4-2175.9-61-175.1-179.5176.40113.2Y573 F574Y573-K576 HydrophobicContact CG-CD 4.42Å; Y573-K576 WeakPolarHBondContact O-CB 3.16Å; Y573-K576 PolarHBondContact O-N 3.45Å; F574-K576 PolarHBondContact O-N 3.02Å; F574-K576 VanDerWaalsContact O-N 3.15Å
577I94.9Very high94Very high35 Ų3565 Ų6518%0.17932%0.324CS..SBendtrans-101.6132.3-179.3-55.7174.6000107.6T572 F574 E581 R582 R626T572-I577 HydrophobicContact CG2-CD1 3.82Å; F574-I577 HydrophobicContact CD1-CD1 4.46Å; F574-I577 WeakPolarHBondContact O-CB 3.37Å; F574-I577 PolarHBondContact O-N 2.81Å; I577-E581 HydrophobicContact CG2-CB 3.73Å; I577-R582 HydrophobicContact CB-CB 4.28Å; I577-R582 HydrophobicContact CG2-CB 3.94Å; I577-R582 HydrophobicContact CG2-CG 4.49Å; I577-R582 WeakPolarHBondContact O-CD 3.26Å; I577-R582 PolarHBondContact O-NE 3.42Å; I577-R626 VanDerWaalsContact CD1-NH2 3.28Å
578P91.8Very high94.6Very high63 Ų6362 Ų6241%0.40930%0.303SS..  trans-51.9141.9172.8-27.536.7000112.5D580 E581 R582P578-D580 WeakPolarHBondContact CB-OD1 3.48Å; P578-D580 PolarHBondContact O-N 2.81Å; P578-D580 VanDerWaalsContact O-N 3.17Å; P578-E581 HydrophobicContact CB-CG 4.39Å; P578-E581 PolarHBondContact O-N 3.01Å; P578-R582 WeakPolarHBondContact O-CG 3.49Å; P578-R582 PolarHBondContact O-N 3.32Å
579D88.9Confident94.7Very high61 Ų6160.5 Ų60.533%0.32629%0.292SS..THydrogen-bonded Turntrans-59.2-28.5-175.1-84.6-23.6000114R582 Q583D579-R582 IonicContact OD1-CZ 2.84Å; D579-R582 IonicContact OD1-NE 2.83Å; D579-R582 PolarHBondContact OD1-NE 2.98Å; D579-R582 IonicContact OD1-NH2 3.76Å; D579-R582 PolarHBondContact OD1-NH2 2.88Å; D579-Q583 WeakPolarHBondContact O-CG 3.41Å; D579-Q583 PolarHBondContact O-NE2 2.85Å
580D87.9Confident94.8Very high119 Ų11954 Ų5464%0.63627%0.269SS*.THydrogen-bonded Turntrans-73.4-24175.257.8-39.5000113.5P578P578-D580 WeakPolarHBondContact CB-OD1 3.48Å; P578-D580 PolarHBondContact O-N 2.81Å; P578-D580 VanDerWaalsContact O-N 3.17Å
581E93.3Very high94.8Very high125 Ų12549.1 Ų49.158%0.58425%0.25SS*.THydrogen-bonded Turntrans-95-10.6179.6-65.8-178.1-16400113.5I577 P578 L605I577-E581 HydrophobicContact CG2-CB 3.73Å; P578-E581 HydrophobicContact CB-CG 4.39Å; P578-E581 PolarHBondContact O-N 3.01Å; E581-L605 WeakPolarHBondContact O-CD1 3.32Å
582R95.3Very high94.8Very high12 Ų1245.9 Ų45.95%0.04523%0.233CC..SBendtrans-113.946.3-178.965.8179.3-176.4160.15.5113.6E526 F574 E575 I577 P578 D579 T590 L591E526-R582 IonicContact OE2-CZ 2.63Å; E526-R582 VanDerWaalsContact OE2-CZ 3.32Å; E526-R582 IonicContact OE2-NH1 3.1Å; E526-R582 PolarHBondContact OE2-NH1 2.63Å; E526-R582 IonicContact OE2-NH2 3.79Å; E526-R582 PolarHBondContact OE2-NH2 2.82Å; F574-R582 WeakPolarHBondContact O-CD 3.49Å; F574-R582 PolarHBondContact O-NH1 2.91Å; E575-R582 VanDerWaalsContact CA-NH1 3.32Å; I577-R582 HydrophobicContact CB-CB 4.28Å; I577-R582 HydrophobicContact CG2-CB 3.94Å; I577-R582 HydrophobicContact CG2-CG 4.49Å; I577-R582 WeakPolarHBondContact O-CD 3.26Å; I577-R582 PolarHBondContact O-NE 3.42Å; P578-R582 WeakPolarHBondContact O-CG 3.49Å; P578-R582 PolarHBondContact O-N 3.32Å; D579-R582 IonicContact OD1-CZ 2.84Å; D579-R582 IonicContact OD1-NE 2.83Å; D579-R582 PolarHBondContact OD1-NE 2.98Å; D579-R582 IonicContact OD1-NH2 3.76Å; D579-R582 PolarHBondContact OD1-NH2 2.88Å; R582-T590 HydrophobicContact CG-CG2 4.12Å; R582-L591 WeakPolarHBondContact O-CB 3.19Å; R582-L591 WeakPolarHBondContact O-CG 3.46Å; R582-L591 PolarHBondContact O-N 2.9Å
583Q96.1Very high94.8Very high51 Ų5145.4 Ų45.424%0.23823%0.23CC..BIsolated β-bridgetrans-112147-179.2-59.7175.3-0.700111.8D579 S585 T589D579-Q583 WeakPolarHBondContact O-CG 3.41Å; D579-Q583 PolarHBondContact O-NE2 2.85Å; Q583-S585 PolarHBondContact O-N 2.8Å; Q583-T589 WeakPolarHBondContact CA-O 3.2Å
584C96.7Very high94.9Very high2 Ų240.7 Ų40.71%0.01421%0.213CC..  trans-65.4126.1169.6178.90000110.3I586 C587 S588 T589 L591 L605 C607 D610C584-I586 PolarHBondContact O-N 3.24Å; C584-I586 PolarHBondContact SG-N 3.14Å; C584-I586 VanDerWaalsContact SG-N 3.44Å; C584-C587 VanDerWaalsContact CB-SG 3.59Å; C584-C587 VanDerWaalsContact SG-SG 3.65Å; C584-S588 WeakPolarHBondContact O-CA 3.46Å; C584-S588 PolarHBondContact O-N 3.15Å; C584-T589 HydrophobicContact CB-CG2 4.05Å; C584-T589 PolarHBondContact N-O 3.35Å; C584-L591 HydrophobicContact CB-CD2 4.03Å; C584-L605 CarbonylContact C-O 3.27Å; C584-L605 WeakPolarHBondContact CA-O 3.5Å; C584-C607 HydrophobicContact CB-CB 4.26Å; C584-C607 PolarHBondContact SG-N 2.87Å; C584-C607 VanDerWaalsContact SG-N 3.39Å; C584-D610 PolarHBondContact SG-OD2 3.04Å; C584-D610 VanDerWaalsContact SG-OD2 3.41Å
585S94.1Very high94.9Very high67 Ų6740.7 Ų40.747%0.46921%0.213SC..THydrogen-bonded Turntrans-67.2-4.1178.969.40000114.7Q583 L605 V606Q583-S585 PolarHBondContact O-N 2.8Å; S585-L605 PolarHBondContact N-O 3.1Å; S585-L605 PolarHBondContact OG-O 3.47Å; S585-V606 WeakPolarHBondContact OG-CG1 3.46Å
586I93.7Very high95Very high23 Ų2337.6 Ų37.612%0.11820%0.198CC..THydrogen-bonded Turntrans-113.1-51.6-176.8-60.9177.2000111R517 C584 V606 D610 R613R517-I586 WeakPolarHBondContact CD-O 3.36Å; R517-I586 PolarHBondContact NE-O 3.47Å; C584-I586 PolarHBondContact O-N 3.24Å; C584-I586 PolarHBondContact SG-N 3.14Å; C584-I586 VanDerWaalsContact SG-N 3.44Å; I586-V606 HydrophobicContact CD1-CG1 3.77Å; I586-V606 HydrophobicContact CG1-CG1 4.01Å; I586-D610 HydrophobicContact CB-CB 4.18Å; I586-D610 HydrophobicContact CD1-CB 4.04Å; I586-D610 HydrophobicContact CG2-CB 4.38Å; I586-R613 HydrophobicContact CD1-CB 4Å; I586-R613 HydrophobicContact CG2-CB 4.34Å; I586-R613 VanDerWaalsContact CG2-NH1 3.32Å
587C94.3Very high95Very high0 Ų031.7 Ų31.70%017%0.173CC..THydrogen-bonded Turntrans-107.4-1.2-178.573.10000115.2C514 R517 C584 T589 D610C514-C587 HydrophobicContact CB-CB 3.92Å; C514-C587 WeakPolarHBondContact O-CB 3.21Å; R517-C587 WeakPolarHBondContact CA-O 3.36Å; C584-C587 VanDerWaalsContact CB-SG 3.59Å; C584-C587 VanDerWaalsContact SG-SG 3.65Å; C587-T589 PolarHBondContact O-N 2.84Å; C587-T589 WeakPolarHBondContact SG-CG2 3.43Å; C587-D610 WeakPolarHBondContact CB-OD2 3.33Å; C587-D610 PolarHBondContact N-OD2 3.22Å; C587-D610 PolarHBondContact SG-OD2 2.94Å
588S94.1Very high94.9Very high27 Ų2730.1 Ų30.119%0.18917%0.165CC..  trans61.96.3-180-440000116.1R517 C584R517-S588 WeakPolarHBondContact O-CB 3.13Å; R517-S588 PolarHBondContact O-OG 2.96Å; C584-S588 WeakPolarHBondContact O-CA 3.46Å; C584-S588 PolarHBondContact O-N 3.15Å
589T96.1Very high94.7Very high16 Ų1630.6 Ų30.610%0.09818%0.181CC..PPolyproline II helixtrans-64.9145.7175.6-157.60000111.3Q583 C584 C587 L591 C607Q583-T589 WeakPolarHBondContact CA-O 3.2Å; C584-T589 HydrophobicContact CB-CG2 4.05Å; C584-T589 PolarHBondContact N-O 3.35Å; C587-T589 PolarHBondContact O-N 2.84Å; C587-T589 WeakPolarHBondContact SG-CG2 3.43Å; T589-L591 PolarHBondContact O-N 2.86Å; T589-C607 HydrophobicContact CG2-CB 4.06Å
590T96.6Very high94.7Very high9 Ų928.5 Ų28.56%0.05517%0.171CC..BIsolated β-bridgetrans-68.5128.4175.8-52.80000110C520 R582C520-T590 WeakPolarHBondContact CB-OG1 3.46Å; R582-T590 HydrophobicContact CG-CG2 4.12Å
591L97.9Very high94.7Very high3 Ų328.9 Ų28.92%0.01618%0.184CC..PPolyproline II helixtrans-87.9121.9-179.4-57.8171.6000109.5F574 R582 C584 T589 C595 L605 C607F574-L591 HydrophobicContact CD1-CB 4.22Å; F574-L591 VanDerWaalsContact CD1-O 3.27Å; F574-L591 WeakPolarHBondContact CD1-O 3.11Å; F574-L591 HydrophobicContact CE1-CB 4.05Å; R582-L591 WeakPolarHBondContact O-CB 3.19Å; R582-L591 WeakPolarHBondContact O-CG 3.46Å; R582-L591 PolarHBondContact O-N 2.9Å; C584-L591 HydrophobicContact CB-CD2 4.03Å; T589-L591 PolarHBondContact O-N 2.86Å; L591-C595 HydrophobicContact CB-CB 4.26Å; L591-C595 HydrophobicContact CD1-CB 3.71Å; L591-C595 HydrophobicContact CD2-CB 3.82Å; L591-C595 HydrophobicContact CG-CB 4.14Å; L591-L605 HydrophobicContact CD1-CB 3.47Å; L591-L605 VanDerWaalsContact CD1-CB 3.47Å; L591-L605 HydrophobicContact CD1-CD1 4.16Å; L591-L605 HydrophobicContact CD1-CG 4.42Å; L591-C607 HydrophobicContact CD2-CB 3.66Å
592F97.7Very high94.5Very high8 Ų827.7 Ų27.74%0.03519%0.186CC..  trans-133.7-61.1178.7-177.8-100.5000113.8S523 E525 E526 C529 F574 E575 R628S523-F592 WeakPolarHBondContact OG-CB 3.37Å; E525-F592 HydrophobicContact CB-CB 4.18Å; E525-F592 HydrophobicContact CB-CD1 3.72Å; E525-F592 HydrophobicContact CB-CG 4.32Å; E526-F592 VanDerWaalsContact CA-CE1 3.48Å; E526-F592 HydrophobicContact CB-CD1 4.11Å; E526-F592 HydrophobicContact CB-CD2 3.58Å; E526-F592 HydrophobicContact CB-CE1 4.11Å; E526-F592 HydrophobicContact CB-CE2 3.57Å; E526-F592 HydrophobicContact CB-CG 3.86Å; E526-F592 HydrophobicContact CB-CZ 3.84Å; E526-F592 HydrophobicContact CG-CD2 3.91Å; E526-F592 HydrophobicContact CG-CE2 3.47Å; E526-F592 VanDerWaalsContact CG-CE2 3.47Å; E526-F592 HydrophobicContact CG-CZ 3.87Å; C529-F592 HydrophobicContact CB-CE1 3.97Å; C529-F592 HydrophobicContact CB-CZ 4.36Å; F574-F592 HydrophobicContact CB-CD2 4.14Å; F574-F592 WeakPolarHBondContact CD2-O 3.35Å; F574-F592 WeakPolarHBondContact CE2-O 3.44Å; E575-F592 HydrophobicContact CB-CE2 4.49Å; F592-R628 HydrophobicContact CE2-CG 4.46Å; F592-R628 HydrophobicContact CZ-CG 4.2Å; F592-R628 VanDerWaalsContact O-CB 3.28Å; F592-R628 WeakPolarHBondContact O-CB 3.47Å
593L98Very high94.2Very high0 Ų031.2 Ų31.20%021%0.211CC..SBendtrans-66.9-45.9-176.4-68.7178.5000112.6E525 I552 E556 R560 Y627 R628 L634E525-L593 HydrophobicContact CB-CD1 4.41Å; E525-L593 HydrophobicContact CB-CG 4.07Å; E525-L593 HydrophobicContact CG-CD1 4.2Å; E525-L593 HydrophobicContact CG-CG 4.27Å; E525-L593 WeakPolarHBondContact OE2-CG 3.38Å; E525-L593 PolarHBondContact OE2-N 2.76Å; E525-L593 VanDerWaalsContact OE2-N 3.16Å; I552-L593 HydrophobicContact CB-CD1 4.4Å; I552-L593 HydrophobicContact CD1-CD1 4.27Å; I552-L593 HydrophobicContact CG1-CD1 4.47Å; E556-L593 HydrophobicContact CB-CD1 4.03Å; E556-L593 HydrophobicContact CG-CB 4.23Å; E556-L593 HydrophobicContact CG-CD1 4.16Å; R560-L593 PolarHBondContact NH2-O 2.98Å; L593-Y627 WeakPolarHBondContact O-CA 3.43Å; L593-R628 PolarHBondContact O-N 3.12Å; L593-L634 HydrophobicContact CD2-CD2 3.96Å
594S98Very high94.1Very high7 Ų731.9 Ų31.95%0.04921%0.213CC..EExtended strand (participates in β ladder)trans-163166.117367.90000113.2E556 L608 R626E556-S594 WeakPolarHBondContact OE1-CB 3.47Å; E556-S594 PolarHBondContact OE1-OG 3.15Å; E556-S594 PolarHBondContact OE2-OG 3.19Å; S594-L608 WeakPolarHBondContact OG-CD1 3.42Å; S594-L608 WeakPolarHBondContact OG-CG 3.44Å; S594-R626 CarbonylContact C-O 3.57Å; S594-R626 WeakPolarHBondContact CA-O 3.41Å; S594-R626 VanDerWaalsContact CB-O 3.23Å; S594-R626 WeakPolarHBondContact CB-O 3.12Å
595C97.3Very high94Very high0 Ų033 Ų330%022%0.219CC..EExtended strand (participates in β ladder)trans-154.6167.716973.20000111.1L591 V606 R626L591-C595 HydrophobicContact CB-CB 4.26Å; L591-C595 HydrophobicContact CD1-CB 3.71Å; L591-C595 HydrophobicContact CD2-CB 3.82Å; L591-C595 HydrophobicContact CG-CB 4.14Å; C595-V606 CarbonylContact C-O 3.27Å; C595-V606 WeakPolarHBondContact CA-O 3.5Å; C595-V606 VanDerWaalsContact CB-O 3.3Å; C595-V606 WeakPolarHBondContact CB-O 3.43Å; C595-R626 PolarHBondContact N-O 3.01Å; C595-R626 PolarHBondContact O-N 2.8Å
596L96.2Very high94.1Very high1 Ų129.8 Ų29.81%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-105.7131.5168.1-166.972.3000109.4V566 L605 V606 V611 L620 C623 F625V566-L596 HydrophobicContact CG1-CD1 3.9Å; L596-L605 WeakPolarHBondContact O-CA 3.31Å; L596-V606 HydrophobicContact CB-CG2 3.91Å; L596-V606 PolarHBondContact N-O 2.88Å; L596-V606 PolarHBondContact O-N 3.41Å; L596-V611 HydrophobicContact CB-CG2 4.07Å; L596-V611 HydrophobicContact CD2-CG1 3.97Å; L596-V611 HydrophobicContact CD2-CG2 4.01Å; L596-L620 HydrophobicContact CD2-CD2 3.9Å; L596-C623 HydrophobicContact CD1-CB 3.66Å; L596-C623 HydrophobicContact CD2-CB 3.88Å; L596-C623 HydrophobicContact CG-CB 3.68Å; L596-F625 HydrophobicContact CD1-CB 4.41Å
597E95.4Very high94.2Very high37 Ų3729.3 Ų29.317%0.17320%0.195CC..EExtended strand (participates in β ladder)trans-105.8114.7175.2178.4178.4-157.600109.9R570 K604 L605 C623 T624 R626R570-E597 IonicContact CZ-OE2 2.79Å; R570-E597 IonicContact NH2-OE1 2.67Å; R570-E597 PolarHBondContact NH2-OE1 3.1Å; R570-E597 IonicContact NH2-OE2 2.71Å; R570-E597 PolarHBondContact NH2-OE2 3.08Å; E597-K604 WeakPolarHBondContact CA-O 3.22Å; E597-L605 HydrophobicContact CB-CD2 3.68Å; E597-L605 HydrophobicContact CG-CD2 3.73Å; E597-C623 WeakPolarHBondContact O-CA 3.47Å; E597-C623 WeakPolarHBondContact O-CB 3.35Å; E597-T624 PolarHBondContact N-O 3.4Å; E597-T624 PolarHBondContact O-N 3Å; E597-R626 WeakPolarHBondContact OE2-CD 3.43Å; E597-R626 IonicContact OE2-NH1 2.79Å
598C93.5Very high94.3Very high1 Ų130 Ų301%0.00720%0.198CC..EExtended strand (participates in β ladder)trans-78.5129.9166.3-179.60000109.7C600 P603 K604 L614 C616 C618C598-C600 HydrophobicContact CB-CB 4.11Å; C598-C600 WeakPolarHBondContact CB-SG 3.23Å; C598-C600 PolarHBondContact O-N 3.22Å; C598-C600 WeakPolarHBondContact SG-CB 3.48Å; C598-C600 PolarHBondContact SG-N 3.37Å; C598-C600 CovalentContact SG-SG 2.08Å; C598-C600 PolarHBondContact SG-SG 3.11Å; C598-P603 WeakPolarHBondContact O-CA 3.14Å; C598-K604 HydrophobicContact CB-CB 4.25Å; C598-K604 PolarHBondContact N-O 3.32Å; C598-K604 PolarHBondContact O-N 2.94Å; C598-L614 HydrophobicContact CB-CD2 4.4Å; C598-C616 VanDerWaalsContact SG-SG 3.64Å; C598-C618 VanDerWaalsContact SG-CB 3.59Å; C598-C618 PolarHBondContact SG-SG 3.16Å
599G87.9Confident94.4Very high73 Ų7333.3 Ų33.375%0.75321%0.207SC*.  trans-70.617.5169.300000114.9
600C88.9Confident94.3Very high17 Ų1732.9 Ų32.912%0.11520%0.204CC..  trans-50157.6169.2-61.70000110.5C598 P602 P603 C616 C618C598-C600 HydrophobicContact CB-CB 4.11Å; C598-C600 WeakPolarHBondContact CB-SG 3.23Å; C598-C600 PolarHBondContact O-N 3.22Å; C598-C600 WeakPolarHBondContact SG-CB 3.48Å; C598-C600 PolarHBondContact SG-N 3.37Å; C598-C600 CovalentContact SG-SG 2.08Å; C598-C600 PolarHBondContact SG-SG 3.11Å; C600-P602 VanDerWaalsContact C-C 3.43Å; C600-P602 CarbonylContact C-O 3.51Å; C600-P602 VanDerWaalsContact C-O 3.27Å; C600-P602 WeakPolarHBondContact CB-O 3.4Å; C600-P602 CarbonylContact O-C 3.49Å; C600-P602 VanDerWaalsContact O-O 3.13Å; C600-P603 WeakPolarHBondContact O-CA 3.47Å; C600-P603 WeakPolarHBondContact O-CD 3.19Å; C600-C616 VanDerWaalsContact SG-CB 3.6Å; C600-C616 PolarHBondContact SG-SG 3.24Å; C600-C618 PolarHBondContact SG-SG 3.26Å
601S87.8Confident94.2Very high128 Ų12833.2 Ų33.290%0.89521%0.206SC*.SBendtrans-112.8110.9167-171.10000109.2
602P88.1Confident93.8Very high99 Ų9938 Ų3864%0.64325%0.246SC*.SBendcis-71.4156-2.131.6-35.9000112.9C600C600-P602 VanDerWaalsContact C-C 3.43Å; C600-P602 CarbonylContact C-O 3.51Å; C600-P602 VanDerWaalsContact C-O 3.27Å; C600-P602 WeakPolarHBondContact CB-O 3.4Å; C600-P602 CarbonylContact O-C 3.49Å; C600-P602 VanDerWaalsContact O-O 3.13Å
603P90.1Very high93.5Very high87 Ų8743.3 Ų43.357%0.56527%0.266SS*.  trans-59.1143.9175.7-25.534.6000111.4C598 C600C598-P603 WeakPolarHBondContact O-CA 3.14Å; C600-P603 WeakPolarHBondContact O-CA 3.47Å; C600-P603 WeakPolarHBondContact O-CD 3.19Å
604K93.1Very high93.1Very high64 Ų6444.5 Ų44.528%0.27827%0.272SS..EExtended strand (participates in β ladder)trans-118123.3178.4-65-177.1-179.2178.80109.8E597 C598 L614E597-K604 WeakPolarHBondContact CA-O 3.22Å; C598-K604 HydrophobicContact CB-CB 4.25Å; C598-K604 PolarHBondContact N-O 3.32Å; C598-K604 PolarHBondContact O-N 2.94Å; K604-L614 HydrophobicContact CD-CD1 4.26Å
605L95.7Very high92.5Very high25 Ų2549.3 Ų49.313%0.13131%0.306CS..EExtended strand (participates in β ladder)trans-94.8126.6169.1-56.4178.9000108.7E581 C584 S585 L591 L596 E597E581-L605 WeakPolarHBondContact O-CD1 3.32Å; C584-L605 CarbonylContact C-O 3.27Å; C584-L605 WeakPolarHBondContact CA-O 3.5Å; S585-L605 PolarHBondContact N-O 3.1Å; S585-L605 PolarHBondContact OG-O 3.47Å; L591-L605 HydrophobicContact CD1-CB 3.47Å; L591-L605 VanDerWaalsContact CD1-CB 3.47Å; L591-L605 HydrophobicContact CD1-CD1 4.16Å; L591-L605 HydrophobicContact CD1-CG 4.42Å; L596-L605 WeakPolarHBondContact O-CA 3.31Å; E597-L605 HydrophobicContact CB-CD2 3.68Å; E597-L605 HydrophobicContact CG-CD2 3.73Å
606V96Very high92Very high0 Ų050.9 Ų50.90%032%0.316CS..EExtended strand (participates in β ladder)trans-127.6139.3177.1-64.20000111.3S585 I586 C595 L596 V611 L614S585-V606 WeakPolarHBondContact OG-CG1 3.46Å; I586-V606 HydrophobicContact CD1-CG1 3.77Å; I586-V606 HydrophobicContact CG1-CG1 4.01Å; C595-V606 CarbonylContact C-O 3.27Å; C595-V606 WeakPolarHBondContact CA-O 3.5Å; C595-V606 VanDerWaalsContact CB-O 3.3Å; C595-V606 WeakPolarHBondContact CB-O 3.43Å; L596-V606 HydrophobicContact CB-CG2 3.91Å; L596-V606 PolarHBondContact N-O 2.88Å; L596-V606 PolarHBondContact O-N 3.41Å; V606-V611 HydrophobicContact CG2-CG2 4.19Å; V606-L614 HydrophobicContact CG1-CD1 3.84Å; V606-L614 HydrophobicContact CG2-CD1 4.49Å
607C96.6Very high91.6Very high13 Ų1357 Ų579%0.08836%0.359CS..  trans-67.2157.1171.373.20000109.4C584 T589 L591 R609 D610 V611C584-C607 HydrophobicContact CB-CB 4.26Å; C584-C607 PolarHBondContact SG-N 2.87Å; C584-C607 VanDerWaalsContact SG-N 3.39Å; T589-C607 HydrophobicContact CG2-CB 4.06Å; L591-C607 HydrophobicContact CD2-CB 3.66Å; C607-R609 PolarHBondContact O-N 2.88Å; C607-R609 VanDerWaalsContact O-N 3.15Å; C607-D610 PolarHBondContact O-N 2.77Å; C607-D610 VanDerWaalsContact SG-CG 3.57Å; C607-V611 PolarHBondContact O-N 3.02Å
608L95.9Very high91.3Very high14 Ų1457.7 Ų57.77%0.07337%0.368CS..G310 helixtrans-62.8-25.8-175.7-59.3-169000113.5L559 R560 L563 S594 D610 V611 F625L559-L608 HydrophobicContact CB-CB 3.75Å; L559-L608 HydrophobicContact CB-CD1 3.78Å; L559-L608 HydrophobicContact CB-CG 4.44Å; L559-L608 HydrophobicContact CD1-CB 4.23Å; L559-L608 HydrophobicContact CD2-CB 4.47Å; L559-L608 HydrophobicContact CG-CB 4.37Å; R560-L608 HydrophobicContact CG-CD1 3.85Å; L563-L608 HydrophobicContact CD1-CD2 4.27Å; S594-L608 WeakPolarHBondContact OG-CD1 3.42Å; S594-L608 WeakPolarHBondContact OG-CG 3.44Å; L608-D610 PolarHBondContact O-N 3.25Å; L608-V611 HydrophobicContact CD2-CG2 4.37Å; L608-F625 HydrophobicContact CD1-CE2 4.14Å; L608-F625 HydrophobicContact CD2-CD2 4.25Å; L608-F625 HydrophobicContact CD2-CE2 4.03Å
609R94.9Very high91Very high97 Ų9761.4 Ų61.437%0.36639%0.388SS..G310 helixtrans-65.1-23.8174.7-56.8-179.4-169162.48.9112.7L559 C607L559-R609 HydrophobicContact CD1-CG 3.69Å; L559-R609 HydrophobicContact CD2-CG 4.01Å; C607-R609 PolarHBondContact O-N 2.88Å; C607-R609 VanDerWaalsContact O-N 3.15Å
610D94.9Very high91Very high8 Ų860.4 Ų60.44%0.04337%0.365CS..G310 helixtrans-108.52.7-172.3-71.9-13000114.2C584 I586 C587 C607 L608 A612 R613 L614C584-D610 PolarHBondContact SG-OD2 3.04Å; C584-D610 VanDerWaalsContact SG-OD2 3.41Å; I586-D610 HydrophobicContact CB-CB 4.18Å; I586-D610 HydrophobicContact CD1-CB 4.04Å; I586-D610 HydrophobicContact CG2-CB 4.38Å; C587-D610 WeakPolarHBondContact CB-OD2 3.33Å; C587-D610 PolarHBondContact N-OD2 3.22Å; C587-D610 PolarHBondContact SG-OD2 2.94Å; C607-D610 PolarHBondContact O-N 2.77Å; C607-D610 VanDerWaalsContact SG-CG 3.57Å; L608-D610 PolarHBondContact O-N 3.25Å; D610-A612 PolarHBondContact O-N 3.17Å; D610-R613 CarbonylContact O-C 2.94Å; D610-R613 WeakPolarHBondContact O-CA 3.33Å; D610-R613 WeakPolarHBondContact O-CB 3.44Å; D610-R613 PolarHBondContact O-N 2.84Å; D610-R613 IonicContact OD1-CZ 2.73Å; D610-R613 IonicContact OD1-NE 3.95Å; D610-R613 PolarHBondContact OD1-NE 2.79Å; D610-R613 IonicContact OD1-NH2 3.55Å; D610-R613 PolarHBondContact OD1-NH2 2.93Å; D610-R613 IonicContact OD2-CZ 2.67Å; D610-R613 IonicContact OD2-NH2 2.62Å; D610-R613 PolarHBondContact OD2-NH2 3.2Å; D610-L614 PolarHBondContact O-N 3.25Å
611V93.3Very high91Very high15 Ų1564.6 Ų64.69%0.09138%0.382CS..G310 helixtrans-55.9-42.4177.7172.40000111L563 L596 V606 C607 L608 R613 L614 L620L563-V611 HydrophobicContact CD1-CG1 4.24Å; L563-V611 HydrophobicContact CD1-CG2 4.1Å; L596-V611 HydrophobicContact CB-CG2 4.07Å; L596-V611 HydrophobicContact CD2-CG1 3.97Å; L596-V611 HydrophobicContact CD2-CG2 4.01Å; V606-V611 HydrophobicContact CG2-CG2 4.19Å; C607-V611 PolarHBondContact O-N 3.02Å; L608-V611 HydrophobicContact CD2-CG2 4.37Å; V611-R613 PolarHBondContact O-N 3.22Å; V611-L614 VanDerWaalsContact O-CB 3.27Å; V611-L614 WeakPolarHBondContact O-CB 3.39Å; V611-L614 PolarHBondContact O-N 3.42Å; V611-L620 HydrophobicContact CG1-CD1 4.28Å; V611-L620 HydrophobicContact CG1-CD2 4.25Å
612A90.4Very high91.1Very high104 Ų10465 Ų6586%0.8637%0.37SS*.G310 helixtrans-68-16.217700000114D610D610-A612 PolarHBondContact O-N 3.17Å
613R90.9Very high91.4Very high119 Ų11960.3 Ų60.345%0.44934%0.34SS..G310 helixtrans-961.4178.1-56.5-164.6-66.3147.1-12.9112.6I586 D610 V611 S615I586-R613 HydrophobicContact CD1-CB 4Å; I586-R613 HydrophobicContact CG2-CB 4.34Å; I586-R613 VanDerWaalsContact CG2-NH1 3.32Å; D610-R613 CarbonylContact O-C 2.94Å; D610-R613 WeakPolarHBondContact O-CA 3.33Å; D610-R613 WeakPolarHBondContact O-CB 3.44Å; D610-R613 PolarHBondContact O-N 2.84Å; D610-R613 IonicContact OD1-CZ 2.73Å; D610-R613 IonicContact OD1-NE 3.95Å; D610-R613 PolarHBondContact OD1-NE 2.79Å; D610-R613 IonicContact OD1-NH2 3.55Å; D610-R613 PolarHBondContact OD1-NH2 2.93Å; D610-R613 IonicContact OD2-CZ 2.67Å; D610-R613 IonicContact OD2-NH2 2.62Å; D610-R613 PolarHBondContact OD2-NH2 3.2Å; V611-R613 PolarHBondContact O-N 3.22Å; R613-S615 PolarHBondContact O-N 3.01Å
614L89.2Confident91.6Very high25 Ų2557.4 Ų57.413%0.13132%0.321CS..  trans-67118.8178.1-169.371000109.9C598 K604 V606 D610 V611 C616 L620C598-L614 HydrophobicContact CB-CD2 4.4Å; K604-L614 HydrophobicContact CD-CD1 4.26Å; V606-L614 HydrophobicContact CG1-CD1 3.84Å; V606-L614 HydrophobicContact CG2-CD1 4.49Å; D610-L614 PolarHBondContact O-N 3.25Å; V611-L614 VanDerWaalsContact O-CB 3.27Å; V611-L614 WeakPolarHBondContact O-CB 3.39Å; V611-L614 PolarHBondContact O-N 3.42Å; L614-C616 VanDerWaalsContact CD2-SG 3.53Å; L614-C616 VanDerWaalsContact CG-SG 3.57Å; L614-L620 HydrophobicContact CD2-CD2 3.86Å
615S86.4Confident91.8Very high108 Ų10854.4 Ų54.476%0.75531%0.308SS*.  trans-94.52.3-172.359.90000115.2R613R613-S615 PolarHBondContact O-N 3.01Å
616C87.7Confident91.9Very high33 Ų3354.6 Ų54.622%0.22331%0.307CS..SBendtrans-79.7155.8176.662.20000111.3C598 C600 L614 C618C598-C616 VanDerWaalsContact SG-SG 3.64Å; C600-C616 VanDerWaalsContact SG-CB 3.6Å; C600-C616 PolarHBondContact SG-SG 3.24Å; L614-C616 VanDerWaalsContact CD2-SG 3.53Å; L614-C616 VanDerWaalsContact CG-SG 3.57Å; C616-C618 PolarHBondContact O-N 3.42Å
617S86.8Confident92Very high129 Ų12956.6 Ų56.690%0.90232%0.315SS*.  trans-80.37.4173.652.80000113.6
618C88.7Confident92.1Very high53 Ų5358.1 Ų58.136%0.35832%0.318SS..  trans-69.1142.3-178.7-61.10000110.7C598 C600 C616 L620C598-C618 VanDerWaalsContact SG-CB 3.59Å; C598-C618 PolarHBondContact SG-SG 3.16Å; C600-C618 PolarHBondContact SG-SG 3.26Å; C616-C618 PolarHBondContact O-N 3.42Å; C618-L620 PolarHBondContact O-N 3.01Å
619D88.5Confident92.2Very high79 Ų7959 Ų5942%0.42232%0.322SS..  trans-66.6123.8172.6-178.46.1000110.4Q621 Q622D619-Q621 PolarHBondContact O-N 3.49Å; D619-Q621 WeakPolarHBondContact OD1-CB 3.41Å; D619-Q621 WeakPolarHBondContact OD1-CG 3.48Å; D619-Q621 PolarHBondContact OD1-N 2.9Å; D619-Q622 HydrophobicContact CB-CG 4.06Å; D619-Q622 PolarHBondContact O-N 2.97Å
620L87.5Confident92.3Very high52 Ų5256.6 Ų56.627%0.27232%0.318SS..G310 helixtrans-60.4-27.6175.7-67.7177.2000111.9P564 L596 V611 L614 C618 Q622 C623P564-L620 HydrophobicContact CG-CD1 4.2Å; L596-L620 HydrophobicContact CD2-CD2 3.9Å; V611-L620 HydrophobicContact CG1-CD1 4.28Å; V611-L620 HydrophobicContact CG1-CD2 4.25Å; L614-L620 HydrophobicContact CD2-CD2 3.86Å; C618-L620 PolarHBondContact O-N 3.01Å; L620-Q622 PolarHBondContact O-N 3.02Å; L620-C623 VanDerWaalsContact O-CB 3.3Å; L620-C623 WeakPolarHBondContact O-CB 2.96Å; L620-C623 PolarHBondContact O-N 2.87Å; L620-C623 VanDerWaalsContact O-N 3.14Å
621Q88.5Confident92.3Very high104 Ų10458.8 Ų58.849%0.48633%0.334SS..G310 helixtrans-66.4-24.8176.3-57.5-172.1-0.600112.6S565 S567 D619 C623S565-Q621 WeakPolarHBondContact O-CG 3.17Å; S567-Q621 WeakPolarHBondContact CB-O 3.39Å; S567-Q621 PolarHBondContact N-O 2.86Å; S567-Q621 PolarHBondContact OG-O 3.45Å; D619-Q621 PolarHBondContact O-N 3.49Å; D619-Q621 WeakPolarHBondContact OD1-CB 3.41Å; D619-Q621 WeakPolarHBondContact OD1-CG 3.48Å; D619-Q621 PolarHBondContact OD1-N 2.9Å; Q621-C623 VanDerWaalsContact C-N 3.35Å
622Q90.5Very high92.5Very high136 Ų13663.2 Ų63.264%0.63635%0.354SS*.G310 helixtrans-87.4-6.9177.1-60.4-59.9-27.900112.9D619 L620D619-Q622 HydrophobicContact CB-CG 4.06Å; D619-Q622 PolarHBondContact O-N 2.97Å; L620-Q622 PolarHBondContact O-N 3.02Å
623C93.4Very high92.8Very high1 Ų162.3 Ų62.31%0.00733%0.332CS..SBendtrans-73.2153.2176.5-64.20000111L596 E597 L620 Q621L596-C623 HydrophobicContact CD1-CB 3.66Å; L596-C623 HydrophobicContact CD2-CB 3.88Å; L596-C623 HydrophobicContact CG-CB 3.68Å; E597-C623 WeakPolarHBondContact O-CA 3.47Å; E597-C623 WeakPolarHBondContact O-CB 3.35Å; L620-C623 VanDerWaalsContact O-CB 3.3Å; L620-C623 WeakPolarHBondContact O-CB 2.96Å; L620-C623 PolarHBondContact O-N 2.87Å; L620-C623 VanDerWaalsContact O-N 3.14Å; Q621-C623 VanDerWaalsContact C-N 3.35Å
624T95.5Very high93.2Very high27 Ų2756.7 Ų56.717%0.16631%0.311CS..EExtended strand (participates in β ladder)trans-98.4120176.6-65.70000110S568 R570 E597 R626S568-T624 WeakPolarHBondContact CB-OG1 3.12Å; S568-T624 WeakPolarHBondContact O-CA 3.32Å; S568-T624 WeakPolarHBondContact OG-CG2 3.29Å; S568-T624 PolarHBondContact OG-OG1 3.01Å; R570-T624 HydrophobicContact CB-CG2 3.81Å; E597-T624 PolarHBondContact N-O 3.4Å; E597-T624 PolarHBondContact O-N 3Å; T624-R626 HydrophobicContact CG2-CG 4.15Å; T624-R626 PolarHBondContact O-N 2.85Å
625F97.1Very high93.5Very high1 Ų159 Ų590%0.00432%0.321CS..EExtended strand (participates in β ladder)trans-79.3112.5170.1173.2-108000110R560 L563 V566 S568 R569 R570 L596 L608 Y627R560-F625 HydrophobicContact CG-CE2 4.38Å; R560-F625 HydrophobicContact CG-CZ 3.99Å; L563-F625 HydrophobicContact CD2-CB 4.27Å; L563-F625 HydrophobicContact CD2-CD2 3.57Å; L563-F625 HydrophobicContact CD2-CE2 4.14Å; L563-F625 HydrophobicContact CD2-CG 4.05Å; V566-F625 HydrophobicContact CG2-CB 3.73Å; S568-F625 PolarHBondContact O-N 3.26Å; R569-F625 CarbonylContact C-O 3.51Å; R569-F625 VanDerWaalsContact CA-O 3.28Å; R569-F625 WeakPolarHBondContact CA-O 3.31Å; R569-F625 HydrophobicContact CB-CD1 4.5Å; R569-F625 HydrophobicContact CG-CB 4.4Å; R569-F625 HydrophobicContact CG-CD1 4.25Å; R569-F625 VanDerWaalsContact NH2-CE1 3.28Å; R570-F625 PolarHBondContact N-O 2.9Å; L596-F625 HydrophobicContact CD1-CB 4.41Å; L608-F625 HydrophobicContact CD1-CE2 4.14Å; L608-F625 HydrophobicContact CD2-CD2 4.25Å; L608-F625 HydrophobicContact CD2-CE2 4.03Å; F625-Y627 AromaticContact CD1-CD1 3.73Å; F625-Y627 HydrophobicContact CD1-CD1 3.73Å; F625-Y627 HydrophobicContact CD1-CG 4.43Å; F625-Y627 AromaticContact CE1-CD1 3.56Å; F625-Y627 HydrophobicContact CE1-CD1 3.56Å; F625-Y627 AromaticContact CE1-CG 3.83Å; F625-Y627 HydrophobicContact CE1-CG 3.83Å; F625-Y627 HydrophobicContact CZ-CG 4.5Å
626R97.7Very high94.1Very high29 Ų2957.1 Ų57.111%0.10930%0.303CS..EExtended strand (participates in β ladder)trans-98.4134177.3-62.7175.874.7169.7-4.6109.1R570 T572 F574 I577 S594 C595 E597 T624R570-R626 VanDerWaalsContact O-CA 3.3Å; R570-R626 WeakPolarHBondContact O-CA 3.47Å; T572-R626 PolarHBondContact OG1-NE 2.84Å; T572-R626 VanDerWaalsContact OG1-NE 3.11Å; F574-R626 HydrophobicContact CZ-CB 3.83Å; I577-R626 VanDerWaalsContact CD1-NH2 3.28Å; S594-R626 CarbonylContact C-O 3.57Å; S594-R626 WeakPolarHBondContact CA-O 3.41Å; S594-R626 VanDerWaalsContact CB-O 3.23Å; S594-R626 WeakPolarHBondContact CB-O 3.12Å; C595-R626 PolarHBondContact N-O 3.01Å; C595-R626 PolarHBondContact O-N 2.8Å; E597-R626 WeakPolarHBondContact OE2-CD 3.43Å; E597-R626 IonicContact OE2-NH1 2.79Å; T624-R626 HydrophobicContact CG2-CG 4.15Å; T624-R626 PolarHBondContact O-N 2.85Å
627Y98.1Very high94.5Very high42 Ų4256.9 Ų56.917%0.16530%0.299CS..EExtended strand (participates in β ladder)trans-142.9147.8-179.364.3-84.1000111.4R569 R570 L571 T572 L593 F625 H629 T630R569-Y627 HydrophobicContact CB-CE1 4.13Å; R570-Y627 PolarHBondContact O-N 2.75Å; R570-Y627 VanDerWaalsContact O-N 3.12Å; L571-Y627 CarbonylContact C-O 3.46Å; L571-Y627 WeakPolarHBondContact CA-O 3.49Å; L571-Y627 HydrophobicContact CD1-CD2 4.38Å; L571-Y627 HydrophobicContact CD1-CE2 4.09Å; T572-Y627 PolarHBondContact N-O 2.74Å; L593-Y627 WeakPolarHBondContact O-CA 3.43Å; F625-Y627 AromaticContact CD1-CD1 3.73Å; F625-Y627 HydrophobicContact CD1-CD1 3.73Å; F625-Y627 HydrophobicContact CD1-CG 4.43Å; F625-Y627 AromaticContact CE1-CD1 3.56Å; F625-Y627 HydrophobicContact CE1-CD1 3.56Å; F625-Y627 AromaticContact CE1-CG 3.83Å; F625-Y627 HydrophobicContact CE1-CG 3.83Å; F625-Y627 HydrophobicContact CZ-CG 4.5Å; Y627-H629 WeakPolarHBondContact CD2-O 3.44Å; Y627-T630 HydrophobicContact CE2-CG2 3.69Å
628R97.8Very high95Very high44 Ų4451.2 Ų51.217%0.16626%0.258CS..SBendtrans-86.2-39.2176.7-177.453.8-172.974.72.3113.4L571 T572 F574 E575 F592 L593L571-R628 WeakPolarHBondContact CD1-O 3.47Å; T572-R628 WeakPolarHBondContact O-CA 3.31Å; T572-R628 WeakPolarHBondContact O-CD 3.2Å; F574-R628 HydrophobicContact CD2-CB 3.95Å; F574-R628 HydrophobicContact CE2-CB 4.34Å; E575-R628 VanDerWaalsContact CD-NE 3.28Å; E575-R628 IonicContact OE1-CZ 2.78Å; E575-R628 VanDerWaalsContact OE1-CZ 3.25Å; E575-R628 IonicContact OE1-NE 3.67Å; E575-R628 PolarHBondContact OE1-NE 3.37Å; E575-R628 IonicContact OE1-NH2 3.5Å; E575-R628 PolarHBondContact OE1-NH2 2.78Å; E575-R628 VanDerWaalsContact OE2-CD 3.3Å; E575-R628 WeakPolarHBondContact OE2-CD 3.33Å; E575-R628 IonicContact OE2-NE 2.82Å; E575-R628 PolarHBondContact OE2-NE 2.9Å; F592-R628 HydrophobicContact CE2-CG 4.46Å; F592-R628 HydrophobicContact CZ-CG 4.2Å; F592-R628 VanDerWaalsContact O-CB 3.28Å; F592-R628 WeakPolarHBondContact O-CB 3.47Å; L593-R628 PolarHBondContact O-N 3.12Å
629H97.5Very high95.3Very high32 Ų3255.2 Ų55.215%0.14827%0.266CS..SBendtrans-133137-178.6-63.7-70.5000109.1R560 Y627 E633 L634R560-H629 PolarHBondContact NH1-O 3.11Å; R560-H629 PolarHBondContact NH2-O 3.47Å; Y627-H629 WeakPolarHBondContact CD2-O 3.44Å; H629-E633 WeakPolarHBondContact CA-OE2 3.49Å; H629-E633 HydrophobicContact CB-CB 4.1Å; H629-L634 HydrophobicContact CB-CD2 3.66Å; H629-L634 HydrophobicContact CB-CG 3.73Å
630T97.3Very high95.7Very high48 Ų4852.9 Ų52.929%0.29426%0.261SS..  trans-61.4160.1168.666.40000110Y627 Q632 E633 L634Y627-T630 HydrophobicContact CE2-CG2 3.69Å; T630-Q632 PolarHBondContact O-N 2.78Å; T630-E633 PolarHBondContact N-OE2 3.1Å; T630-E633 PolarHBondContact O-N 2.82Å; T630-E633 WeakPolarHBondContact OG1-CB 3.28Å; T630-E633 WeakPolarHBondContact OG1-CG 3.04Å; T630-E633 PolarHBondContact OG1-N 3.11Å; T630-E633 PolarHBondContact OG1-OE2 3.05Å; T630-L634 PolarHBondContact O-N 3.23Å
631S95.4Very high96.1Very high54 Ų5450.5 Ų50.538%0.37825%0.248SC..Hα-helixtrans-60.4-33.1177-54.60000111.5R560 Q635R560-S631 PolarHBondContact NH1-OG 3.09Å; S631-Q635 VanDerWaalsContact O-CG 3.32Å; S631-Q635 WeakPolarHBondContact O-CG 3.48Å; S631-Q635 PolarHBondContact O-N 3.26Å
632Q97Very high96.4Very high107 Ų10748.6 Ų48.650%0.524%0.239SC..Hα-helixtrans-68-46.4174.8-171.755.759.300111.6T630 L634 Q635 D636T630-Q632 PolarHBondContact O-N 2.78Å; Q632-L634 VanDerWaalsContact C-N 3.29Å; Q632-L634 PolarHBondContact O-N 3.4Å; Q632-Q635 PolarHBondContact O-N 2.72Å; Q632-Q635 VanDerWaalsContact O-N 3.13Å; Q632-D636 PolarHBondContact NE2-OD1 3.07Å; Q632-D636 WeakPolarHBondContact O-CB 3.5Å; Q632-D636 PolarHBondContact O-N 2.64Å
633E98.1Very high96.6Very high86 Ų8646.5 Ų46.540%0.40225%0.245SC..Hα-helixtrans-61.2-35177.8-75.4167.4152.400112.9H629 T630 D636 L637H629-E633 WeakPolarHBondContact CA-OE2 3.49Å; H629-E633 HydrophobicContact CB-CB 4.1Å; T630-E633 PolarHBondContact N-OE2 3.1Å; T630-E633 PolarHBondContact O-N 2.82Å; T630-E633 WeakPolarHBondContact OG1-CB 3.28Å; T630-E633 WeakPolarHBondContact OG1-CG 3.04Å; T630-E633 PolarHBondContact OG1-N 3.11Å; T630-E633 PolarHBondContact OG1-OE2 3.05Å; E633-D636 PolarHBondContact O-N 2.96Å; E633-L637 WeakPolarHBondContact O-CB 3.44Å; E633-L637 PolarHBondContact O-N 3.48Å
634L97.6Very high96.6Very high1 Ų151.4 Ų51.41%0.00526%0.263CS..Hα-helixtrans-65.5-44.9173.8-71.7175.8000111.6I553 E556 L593 H629 T630 Q632 D636 L637 L638I553-L634 HydrophobicContact CD1-CB 4.43Å; I553-L634 VanDerWaalsContact CD1-O 3.3Å; I553-L634 WeakPolarHBondContact CD1-O 3.34Å; I553-L634 HydrophobicContact CG1-CB 4.17Å; I553-L634 HydrophobicContact CG1-CD2 4.41Å; I553-L634 HydrophobicContact CG2-CB 4.14Å; E556-L634 HydrophobicContact CG-CD1 3.85Å; L593-L634 HydrophobicContact CD2-CD2 3.96Å; H629-L634 HydrophobicContact CB-CD2 3.66Å; H629-L634 HydrophobicContact CB-CG 3.73Å; T630-L634 PolarHBondContact O-N 3.23Å; Q632-L634 VanDerWaalsContact C-N 3.29Å; Q632-L634 PolarHBondContact O-N 3.4Å; L634-D636 VanDerWaalsContact C-N 3.31Å; L634-D636 PolarHBondContact O-N 3.45Å; L634-L637 WeakPolarHBondContact O-CB 3.39Å; L634-L637 PolarHBondContact O-N 2.84Å; L634-L638 PolarHBondContact O-N 3.33Å
635Q97.3Very high96.6Very high73 Ų7350.8 Ų50.834%0.34126%0.258SS..Hα-helixtrans-64.8-37.4175.3-65-63.7-28.200111.6I553 S631 Q632 L637 L638 R639I553-Q635 VanDerWaalsContact CG2-NE2 3.34Å; S631-Q635 VanDerWaalsContact O-CG 3.32Å; S631-Q635 WeakPolarHBondContact O-CG 3.48Å; S631-Q635 PolarHBondContact O-N 3.26Å; Q632-Q635 PolarHBondContact O-N 2.72Å; Q632-Q635 VanDerWaalsContact O-N 3.13Å; Q635-L637 VanDerWaalsContact C-N 3.34Å; Q635-L638 PolarHBondContact O-N 3.17Å; Q635-R639 WeakPolarHBondContact O-CG 3.42Å; Q635-R639 PolarHBondContact O-N 3.38Å
636D97.5Very high96.2Very high69 Ų6952.7 Ų52.737%0.36928%0.278SS..Hα-helixtrans-66.7-35.9175.4-65.2-19.5000112Q632 E633 L634 R639 G640Q632-D636 PolarHBondContact NE2-OD1 3.07Å; Q632-D636 WeakPolarHBondContact O-CB 3.5Å; Q632-D636 PolarHBondContact O-N 2.64Å; E633-D636 PolarHBondContact O-N 2.96Å; L634-D636 VanDerWaalsContact C-N 3.31Å; L634-D636 PolarHBondContact O-N 3.45Å; D636-R639 IonicContact OD1-CZ 2.79Å; D636-R639 IonicContact OD1-NE 2.91Å; D636-R639 IonicContact OD1-NH2 2.85Å; D636-R639 PolarHBondContact OD1-NH2 3.44Å; D636-G640 WeakPolarHBondContact O-CA 3.38Å; D636-G640 PolarHBondContact O-N 3.19Å
637L97.1Very high95.8Very high28 Ų2861.1 Ų61.115%0.14732%0.316CS..Hα-helixtrans-61.4-45.7174.3-178.263.4000110.9C529 A532 T533 L549 E633 L634 Q635 F641C529-L637 HydrophobicContact CB-CD2 4.32Å; A532-L637 HydrophobicContact CB-CD1 3.9Å; A532-L637 HydrophobicContact CB-CD2 4.18Å; A532-L637 HydrophobicContact CB-CG 3.99Å; T533-L637 HydrophobicContact CG2-CD1 3.75Å; L549-L637 HydrophobicContact CD1-CD2 4.12Å; L549-L637 HydrophobicContact CD2-CG 4.38Å; E633-L637 WeakPolarHBondContact O-CB 3.44Å; E633-L637 PolarHBondContact O-N 3.48Å; L634-L637 WeakPolarHBondContact O-CB 3.39Å; L634-L637 PolarHBondContact O-N 2.84Å; Q635-L637 VanDerWaalsContact C-N 3.34Å; L637-F641 WeakPolarHBondContact O-CB 3.35Å; L637-F641 PolarHBondContact O-N 2.69Å
638L96.4Very high95.3Very high9 Ų962.9 Ų62.95%0.04733%0.325CS..Hα-helixtrans-65.1-49.2177-171.464.7000111.7Y546 L549 N550 I553 L634 Q635 G640 F641 E642Y546-L638 HydrophobicContact CD2-CD1 3.64Å; Y546-L638 HydrophobicContact CE2-CD1 3.55Å; Y546-L638 HydrophobicContact CE2-CG 4.06Å; L549-L638 HydrophobicContact CB-CD1 4.42Å; L549-L638 HydrophobicContact CD2-CD1 3.83Å; L549-L638 HydrophobicContact CG-CD1 4.13Å; N550-L638 HydrophobicContact CB-CD1 4.15Å; N550-L638 HydrophobicContact CB-CD2 4.08Å; N550-L638 WeakPolarHBondContact OD1-CD2 3.48Å; I553-L638 HydrophobicContact CD1-CB 3.91Å; L634-L638 PolarHBondContact O-N 3.33Å; Q635-L638 PolarHBondContact O-N 3.17Å; L638-G640 VanDerWaalsContact C-N 3.31Å; L638-G640 PolarHBondContact O-N 2.91Å; L638-F641 VanDerWaalsContact O-CB 3.32Å; L638-F641 WeakPolarHBondContact O-CB 3.28Å; L638-F641 PolarHBondContact O-N 3.47Å; L638-F641 VanDerWaalsContact O-N 3.11Å; L638-E642 WeakPolarHBondContact O-CG 3.44Å; L638-E642 PolarHBondContact O-N 2.97Å
639R96.3Very high94.6Very high137 Ų13761.5 Ų61.552%0.51732%0.322SS..Hα-helixtrans-62.1-38.1177.6-70.5-170.8-65.8-176.61.7112.6Q635 D636 F641 E642 A643Q635-R639 WeakPolarHBondContact O-CG 3.42Å; Q635-R639 PolarHBondContact O-N 3.38Å; D636-R639 IonicContact OD1-CZ 2.79Å; D636-R639 IonicContact OD1-NE 2.91Å; D636-R639 IonicContact OD1-NH2 2.85Å; D636-R639 PolarHBondContact OD1-NH2 3.44Å; R639-F641 VanDerWaalsContact C-N 3.32Å; R639-E642 PolarHBondContact O-N 2.79Å; R639-A643 WeakPolarHBondContact O-CB 3.43Å; R639-A643 PolarHBondContact O-N 3.14Å
640G95.7Very high93.2Very high31 Ų3168 Ų6832%0.3235%0.352SS..Hα-helixtrans-65.8-35.9175.400000112.2D636 L638 R644D636-G640 WeakPolarHBondContact O-CA 3.38Å; D636-G640 PolarHBondContact O-N 3.19Å; L638-G640 VanDerWaalsContact C-N 3.31Å; L638-G640 PolarHBondContact O-N 2.91Å; G640-R644 WeakPolarHBondContact O-CB 3.4Å; G640-R644 PolarHBondContact O-N 2.87Å
641F95.9Very high91.4Very high1 Ų170 Ų700%0.00436%0.36CS..Hα-helixtrans-65.3-48.6172.5-170.3-86.9000111.5A532 L537 I542 V545 Y546 L637 L638 R639 A643 R644 F645 L649A532-F641 HydrophobicContact CB-CD2 4.12Å; L537-F641 HydrophobicContact CD2-CE2 3.81Å; L537-F641 HydrophobicContact CD2-CZ 3.98Å; I542-F641 HydrophobicContact CG2-CE1 4.1Å; I542-F641 HydrophobicContact CG2-CZ 4.26Å; I542-F641 WeakPolarHBondContact O-CE1 3.45Å; I542-F641 WeakPolarHBondContact O-CZ 3.47Å; V545-F641 HydrophobicContact CB-CE2 4.33Å; V545-F641 HydrophobicContact CB-CZ 4.01Å; V545-F641 HydrophobicContact CG1-CD2 4.44Å; V545-F641 HydrophobicContact CG1-CE2 3.71Å; V545-F641 HydrophobicContact CG1-CZ 3.85Å; Y546-F641 HydrophobicContact CD2-CD1 4.13Å; L637-F641 WeakPolarHBondContact O-CB 3.35Å; L637-F641 PolarHBondContact O-N 2.69Å; L638-F641 VanDerWaalsContact O-CB 3.32Å; L638-F641 WeakPolarHBondContact O-CB 3.28Å; L638-F641 PolarHBondContact O-N 3.47Å; L638-F641 VanDerWaalsContact O-N 3.11Å; R639-F641 VanDerWaalsContact C-N 3.32Å; F641-A643 PolarHBondContact O-N 2.79Å; F641-R644 PolarHBondContact O-N 2.98Å; F641-R644 VanDerWaalsContact O-N 3.15Å; F641-F645 HydrophobicContact CD1-CD2 4.19Å; F641-F645 AromaticContact CD2-CD2 3.84Å; F641-F645 HydrophobicContact CD2-CD2 3.84Å; F641-F645 HydrophobicContact CD2-CE2 4.05Å; F641-F645 HydrophobicContact CE1-CB 4.32Å; F641-F645 AromaticContact CE1-CD2 3.91Å; F641-F645 HydrophobicContact CE1-CD2 3.91Å; F641-F645 AromaticContact CE2-CD2 3.58Å; F641-F645 HydrophobicContact CE2-CD2 3.58Å; F641-F645 AromaticContact CE2-CE2 3.72Å; F641-F645 HydrophobicContact CE2-CE2 3.72Å; F641-F645 HydrophobicContact CG-CD2 4.16Å; F641-F645 AromaticContact CZ-CD2 3.63Å; F641-F645 HydrophobicContact CZ-CD2 3.63Å; F641-F645 HydrophobicContact CZ-CE2 4.15Å; F641-F645 HydrophobicContact CZ-CG 4.44Å; F641-F645 PolarHBondContact O-N 3.31Å; F641-L649 HydrophobicContact CE1-CD2 4.39Å
642E94.5Very high89.2Confident65 Ų6572.8 Ų72.830%0.30438%0.377SS..Hα-helixtrans-59.6-43.6175.7-68.6176.6141.500112.3Y546 L638 R639 R644 G646 L649Y546-E642 HydrophobicContact CD2-CG 3.93Å; Y546-E642 HydrophobicContact CE2-CG 3.38Å; Y546-E642 VanDerWaalsContact CE2-OE1 3.25Å; Y546-E642 WeakPolarHBondContact CE2-OE1 3.2Å; Y546-E642 PolarHBondContact OH-OE1 2.9Å; L638-E642 WeakPolarHBondContact O-CG 3.44Å; L638-E642 PolarHBondContact O-N 2.97Å; R639-E642 PolarHBondContact O-N 2.79Å; E642-R644 PolarHBondContact O-N 3.01Å; E642-G646 WeakPolarHBondContact O-CA 3.44Å; E642-G646 PolarHBondContact O-N 3.24Å; E642-L649 HydrophobicContact CG-CD1 4.24Å
643A94.4Very high86.5Confident91 Ų9177 Ų7775%0.75239%0.394SS*.Hα-helixtrans-61.5-33177.900000112.1R639 F641R639-A643 WeakPolarHBondContact O-CB 3.43Å; R639-A643 PolarHBondContact O-N 3.14Å; F641-A643 PolarHBondContact O-N 2.79Å
644R94.7Very high83.8Confident104 Ų10478 Ų7839%0.39241%0.41SS..Hα-helixtrans-80.5-43.4-179-166.7-178.1-48.9-177.4-0.2112.9T533 S534 G640 F641 E642T533-R644 PolarHBondContact O-NH1 3.28Å; S534-R644 PolarHBondContact O-NH1 3.22Å; G640-R644 WeakPolarHBondContact O-CB 3.4Å; G640-R644 PolarHBondContact O-N 2.87Å; F641-R644 PolarHBondContact O-N 2.98Å; F641-R644 VanDerWaalsContact O-N 3.15Å; E642-R644 PolarHBondContact O-N 3.01Å
645F94.8Very high81Confident14 Ų1485.3 Ų85.36%0.06145%0.45CS..Hα-helixtrans-115.59-171.5-60.9-65.1000114.4L537 I542 F641 K647 Q648 L649L537-F645 HydrophobicContact CB-CZ 4.2Å; L537-F645 HydrophobicContact CD1-CE2 3.77Å; L537-F645 HydrophobicContact CD1-CZ 3.67Å; L537-F645 HydrophobicContact CG-CZ 4.48Å; I542-F645 HydrophobicContact CD1-CB 4.3Å; I542-F645 HydrophobicContact CD1-CD1 3.57Å; I542-F645 HydrophobicContact CD1-CE1 4.13Å; I542-F645 HydrophobicContact CD1-CG 4.08Å; I542-F645 HydrophobicContact CG1-CD1 4.11Å; I542-F645 HydrophobicContact CG1-CG 4.25Å; I542-F645 HydrophobicContact CG2-CB 3.54Å; I542-F645 HydrophobicContact CG2-CG 4.08Å; F641-F645 HydrophobicContact CD1-CD2 4.19Å; F641-F645 AromaticContact CD2-CD2 3.84Å; F641-F645 HydrophobicContact CD2-CD2 3.84Å; F641-F645 HydrophobicContact CD2-CE2 4.05Å; F641-F645 HydrophobicContact CE1-CB 4.32Å; F641-F645 AromaticContact CE1-CD2 3.91Å; F641-F645 HydrophobicContact CE1-CD2 3.91Å; F641-F645 AromaticContact CE2-CD2 3.58Å; F641-F645 HydrophobicContact CE2-CD2 3.58Å; F641-F645 AromaticContact CE2-CE2 3.72Å; F641-F645 HydrophobicContact CE2-CE2 3.72Å; F641-F645 HydrophobicContact CG-CD2 4.16Å; F641-F645 AromaticContact CZ-CD2 3.63Å; F641-F645 HydrophobicContact CZ-CD2 3.63Å; F641-F645 HydrophobicContact CZ-CE2 4.15Å; F641-F645 HydrophobicContact CZ-CG 4.44Å; F641-F645 PolarHBondContact O-N 3.31Å; F645-K647 PolarHBondContact O-N 3.12Å; F645-K647 VanDerWaalsContact O-N 3.08Å; F645-Q648 VanDerWaalsContact CA-OE1 3.29Å; F645-Q648 CarbonylContact O-C 3.35Å; F645-Q648 WeakPolarHBondContact O-CA 3.48Å; F645-Q648 WeakPolarHBondContact O-CB 3.39Å; F645-Q648 PolarHBondContact O-N 3.23Å; F645-Q648 PolarHBondContact O-OE1 3.31Å; F645-L649 PolarHBondContact O-N 3.24Å
646G88.9Confident77.9Confident41 Ų4190.7 Ų90.742%0.42348%0.475SS..THydrogen-bonded Turntrans-60.4-24.3-172.900000114.8E642 Q648E642-G646 WeakPolarHBondContact O-CA 3.44Å; E642-G646 PolarHBondContact O-N 3.24Å; G646-Q648 VanDerWaalsContact C-N 3.31Å
647K89.1Confident74.9Confident206 Ų20693.1 Ų93.190%0.89649%0.492SS*.THydrogen-bonded Turntrans-74.2-24.1173.7-65.6-177.2-179.2178.10112.9F645F645-K647 PolarHBondContact O-N 3.12Å; F645-K647 VanDerWaalsContact O-N 3.08Å
648Q88.1Confident72Confident79 Ų7997.1 Ų97.137%0.36952%0.52SS..THydrogen-bonded Turntrans-99.5-18-177.6-6286.9-14.600112.3L539 I542 F645 G646 E650L539-Q648 HydrophobicContact CD1-CB 3.82Å; L539-Q648 HydrophobicContact CD1-CG 4.09Å; I542-Q648 HydrophobicContact CD1-CB 3.78Å; I542-Q648 HydrophobicContact CD1-CG 4.15Å; I542-Q648 HydrophobicContact CG2-CB 4.35Å; F645-Q648 VanDerWaalsContact CA-OE1 3.29Å; F645-Q648 CarbonylContact O-C 3.35Å; F645-Q648 WeakPolarHBondContact O-CA 3.48Å; F645-Q648 WeakPolarHBondContact O-CB 3.39Å; F645-Q648 PolarHBondContact O-N 3.23Å; F645-Q648 PolarHBondContact O-OE1 3.31Å; G646-Q648 VanDerWaalsContact C-N 3.31Å; Q648-E650 PolarHBondContact O-N 3.37Å; Q648-E650 VanDerWaalsContact O-N 3.15Å
649L83.5Confident69Low16 Ų16103.2 Ų103.28%0.08456%0.558CS.*  trans-66.2111.3172.7-74.4174.3000109.4I542 Y546 F641 E642 F645 L651I542-L649 HydrophobicContact CG2-CD2 3.74Å; I542-L649 HydrophobicContact CG2-CG 4.12Å; Y546-L649 HydrophobicContact CD1-CD2 4.18Å; Y546-L649 HydrophobicContact CD2-CD1 4.08Å; Y546-L649 HydrophobicContact CD2-CD2 4.5Å; Y546-L649 HydrophobicContact CE2-CD1 4.47Å; Y546-L649 HydrophobicContact CG-CD1 4.17Å; Y546-L649 HydrophobicContact CG-CD2 3.83Å; F641-L649 HydrophobicContact CE1-CD2 4.39Å; E642-L649 HydrophobicContact CG-CD1 4.24Å; F645-L649 PolarHBondContact O-N 3.24Å; L649-L651 HydrophobicContact CB-CD1 4.4Å; L649-L651 HydrophobicContact CB-CG 4.07Å; L649-L651 HydrophobicContact CD1-CD1 4.42Å; L649-L651 PolarHBondContact O-N 3.25Å
650E67.5Low66.3Low169 Ų169105.9 Ų105.979%0.7957%0.573SS**  trans-7559166.1-64.3-176.4179.400109.5Q648Q648-E650 PolarHBondContact O-N 3.37Å; Q648-E650 VanDerWaalsContact O-N 3.15Å
651L60.1Low63.6Low88 Ų88109 Ų10946%0.46159%0.59SS.*PPolyproline II helixtrans-63.2135170.6-71.1167.8000107.7Y546 L649 K653Y546-L651 HydrophobicContact CD1-CD2 4.14Å; Y546-L651 HydrophobicContact CE1-CD2 3.56Å; L649-L651 HydrophobicContact CB-CD1 4.4Å; L649-L651 HydrophobicContact CB-CG 4.07Å; L649-L651 HydrophobicContact CD1-CD1 4.42Å; L649-L651 PolarHBondContact O-N 3.25Å; L651-K653 PolarHBondContact O-N 3.45Å
652P49.3Very low61Low114 Ų114116.2 Ų116.274%0.7463%0.627SS**PPolyproline II helixtrans-54.6117165.921-28.3000106.7S654P652-S654 PolarHBondContact O-N 2.81Å
653K39.8Very low58.6Low194 Ų194121.1 Ų121.184%0.84365%0.65SS**PPolyproline II helixtrans-47.6118.8173.3-71.4-177.6178.8-179.70105.9L651 N655L651-K653 PolarHBondContact O-N 3.45Å; K653-N655 PolarHBondContact O-N 2.64Å
654S41.8Very low56Low108 Ų108124 Ų12476%0.75565%0.653SS**  trans-43.6116.1175.751.40000107.6P652 E656P652-S654 PolarHBondContact O-N 2.81Å; S654-E656 PolarHBondContact O-N 3.27Å
655N38Very low53.6Low155 Ų155125.8 Ų125.883%0.82968%0.675SS**  trans-46.6107.1-179.9-81.4-31.3000108.2K653 T657K653-N655 PolarHBondContact O-N 2.64Å; N655-T657 VanDerWaalsContact C-N 3.31Å; N655-T657 PolarHBondContact O-N 3.1Å
656E33.3Very low51Low185 Ų185133 Ų13386%0.86474%0.738SS**  trans-53.1108.5159.3-76.2-179.7172.400104.6S654 P658S654-E656 PolarHBondContact O-N 3.27Å; E656-P658 WeakPolarHBondContact O-CD 3.33Å; E656-P658 VanDerWaalsContact O-N 3.15Å
657T34.6Very low49.1Very low121 Ų121137.7 Ų137.774%0.74275%0.753SS**  trans-59.2122.7177.5-39.20000105.2N655 T659N655-T657 VanDerWaalsContact C-N 3.31Å; N655-T657 PolarHBondContact O-N 3.1Å; T657-T659 PolarHBondContact O-N 2.91Å
658P35.4Very low47Very low111 Ų111134.1 Ų134.172%0.72175%0.746SS**  trans-65.9101.7-173.823-30.1000108.1E656 K660E656-P658 WeakPolarHBondContact O-CD 3.33Å; E656-P658 VanDerWaalsContact O-N 3.15Å; P658-K660 PolarHBondContact O-N 2.88Å
659T34.4Very low44.7Very low137 Ų137137.1 Ų137.184%0.8477%0.767SS**  trans-59.794.916029.90000106.3T657 S661T657-T659 PolarHBondContact O-N 2.91Å; T659-S661 VanDerWaalsContact C-N 3.27Å; T659-S661 PolarHBondContact O-N 3.02Å
660K39.3Very low42.4Very low193 Ų193144.2 Ų144.284%0.83981%0.807SS**  trans-59.497.2160.4-80.4-176.4174.3-179.40106.8P658 I662P658-K660 PolarHBondContact O-N 2.88Å; K660-I662 PolarHBondContact O-N 2.82Å
661S38.2Very low40.8Very low98 Ų98142.7 Ų142.769%0.68581%0.808SS**  trans-62.5109.8158.142.80000107.2T659 E663T659-S661 VanDerWaalsContact C-N 3.27Å; T659-S661 PolarHBondContact O-N 3.02Å; S661-E663 VanDerWaalsContact C-N 3.33Å; S661-E663 PolarHBondContact O-N 3.21Å
662I40.7Very low39.5Very low152 Ų152146.3 Ų146.378%0.77983%0.831SS**  trans-75.794.5161.8-63.1172000104.7K660 N664K660-I662 PolarHBondContact O-N 2.82Å; I662-N664 PolarHBondContact O-N 3.18Å
663E44.4Very low38.8Very low168 Ų168148.6 Ų148.679%0.78584%0.838SS**  trans-79.5112.8166.7-81.3-175.6163.700108.8S661 V665S661-E663 VanDerWaalsContact C-N 3.33Å; S661-E663 PolarHBondContact O-N 3.21Å; E663-V665 PolarHBondContact O-N 3.19Å
664N39.8Very low38.8Very low151 Ų151145.2 Ų145.281%0.80784%0.837SS**  trans-58114.6162.3-69.8-42.5000109I662I662-N664 PolarHBondContact O-N 3.18Å
665V44Very low38.5Very low141 Ų141148.3 Ų148.386%0.85584%0.844SS**  trans-86.2119.2155.2-179.80000106.2E663E663-V665 PolarHBondContact O-N 3.19Å
666A40.2Very low38.6Very low167 Ų167147.6 Ų147.6100%1.3885%0.845SS**  trans-59.90174.800000112.7

Retrieved 666 of 666 residues in 209 ms (Link to these results)

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