A0A077Z2Z2_TRITR Loading...

tRNA dihydrouridine synthase 4

AlphaFold DB , UniProt , Accession A0A077Z2Z2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 766 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
1M29.4Very low32.1Very low230 Ų230159.4 Ų159.4100%1.13382%0.816SS**  0109.70-99.7170.2169.800108.7V3M1-V3 PolarHBondContact O-N 3.28Å
2K26.1Very low33.9Very low208 Ų208161 Ų16190%0.90482%0.817SS**  trans-69.5107.8154.9-88179172.1-179.60105.1E4K2-E4 PolarHBondContact O-N 3.45Å
3V34.7Very low36Very low120 Ų120151.6 Ų151.673%0.72777%0.766SS**  trans-81.1100.1166.1177.70000105.4M1 R5M1-V3 PolarHBondContact O-N 3.28Å; V3-R5 PolarHBondContact O-N 3.05Å
4E27.5Very low37.9Very low167 Ų167147.4 Ų147.478%0.7875%0.754SS**  trans-58.2112.2160.7-79.3174.6153.400107.5K2 T6K2-E4 PolarHBondContact O-N 3.45Å; E4-T6 PolarHBondContact O-N 3.21Å
5R32.3Very low40.2Very low244 Ų244144.3 Ų144.392%0.92175%0.75SS**  trans-7796.1164-76.8-172.2-173.6177.12.4107.6V3V3-R5 PolarHBondContact O-N 3.05Å
6T29.7Very low43Very low129 Ų129138.3 Ų138.379%0.79172%0.722SS**  trans-77.8124.3161.548.80000109.3E4E4-T6 PolarHBondContact O-N 3.21Å
7G29.5Very low45.7Very low76 Ų76134.1 Ų134.178%0.78470%0.701SS**  trans101.890.5159.100000116.5E9G7-E9 PolarHBondContact O-N 3.25Å
8D28.7Very low48.4Very low142 Ų142126.7 Ų126.776%0.75966%0.662SS**  trans-70.394.9161.2-95.2-38.9000109.9H10D8-H10 IonicContact OD1-CE1 2.9Å; D8-H10 PolarHBondContact OD1-CE1 3.28Å; D8-H10 IonicContact OD1-ND1 3.02Å
9E31.3Very low50.7Low177 Ų177121.7 Ų121.783%0.82764%0.638SS**  trans-102.1104.6145.4-80.4-172.2163.400106.7G7 V11G7-E9 PolarHBondContact O-N 3.25Å; E9-V11 VanDerWaalsContact C-N 3.3Å; E9-V11 PolarHBondContact O-N 3.49Å
10H37.5Very low52.8Low157 Ų157117.7 Ų117.773%0.72762%0.62SS**  trans-67.983.9178.3-75-50.1000111D8 H12D8-H10 IonicContact OD1-CE1 2.9Å; D8-H10 PolarHBondContact OD1-CE1 3.28Å; D8-H10 IonicContact OD1-ND1 3.02Å; H10-H12 PolarHBondContact O-N 3.45Å
11V46.6Very low54.7Low103 Ų103114 Ų11462%0.62460%0.601SS**  trans-67.8102.3165.9-178.80000107.9E9 R13 L80E9-V11 VanDerWaalsContact C-N 3.3Å; E9-V11 PolarHBondContact O-N 3.49Å; V11-R13 PolarHBondContact O-N 3.41Å; V11-L80 HydrophobicContact CG1-CD1 4.24Å
12H53.3Low57.7Low179 Ų179103.2 Ų103.283%0.82955%0.547SS*.PPolyproline II helixtrans-64116.5178.5-105.1-54.2000110.9H10H10-H12 PolarHBondContact O-N 3.45Å
13R61.7Low60.8Low39 Ų3998.2 Ų98.215%0.14753%0.527CS..PPolyproline II helixtrans-60.4132.3168.2179.7178.6171.3134.7-4.4109.6V11 S15 D82 Q107 E109V11-R13 PolarHBondContact O-N 3.41Å; R13-S15 PolarHBondContact O-N 3.35Å; R13-S15 VanDerWaalsContact O-N 3.12Å; R13-D82 PolarHBondContact NH2-O 2.96Å; R13-Q107 PolarHBondContact NH1-O 3.31Å; R13-E109 IonicContact CZ-OE1 2.63Å; R13-E109 IonicContact CZ-OE2 3.95Å; R13-E109 IonicContact NE-OE1 3.94Å; R13-E109 PolarHBondContact NE-OE1 3.4Å; R13-E109 IonicContact NE-OE2 3.65Å; R13-E109 IonicContact NH2-OE1 2.96Å; R13-E109 PolarHBondContact NH2-OE1 3.45Å; R13-E109 VanDerWaalsContact NH2-OE1 3.11Å; R13-E109 IonicContact NH2-OE2 2.92Å; R13-E109 PolarHBondContact NH2-OE2 3.35Å
14P62.7Low63.2Low93 Ų9398.6 Ų98.660%0.60453%0.525SS*.PPolyproline II helixtrans-60.9117.3174.4-15.126.2000109.8V16P14-V16 PolarHBondContact O-N 2.96Å
15S71.6Confident65.4Low100 Ų10092.7 Ų92.770%0.69950%0.502SS*.  trans-78.3109.8177.1177.20000109.8R13R13-S15 PolarHBondContact O-N 3.35Å; R13-S15 VanDerWaalsContact O-N 3.12Å
16V84.9Confident67.6Low49 Ų4991.1 Ų91.130%0.29751%0.505SS..  trans-96.3127175.3-179.70000109.8P14 V18 L21 P84 E109P14-V16 PolarHBondContact O-N 2.96Å; V16-V18 PolarHBondContact O-N 3.33Å; V16-L21 HydrophobicContact CG1-CD2 4.41Å; V16-P84 HydrophobicContact CB-CB 4.32Å; V16-P84 HydrophobicContact CG1-CB 4.42Å; V16-E109 HydrophobicContact CB-CG 4.32Å; V16-E109 WeakPolarHBondContact O-CG 3.3Å
17D90.2Very high70.3Confident67 Ų6787.6 Ų87.636%0.35849%0.486SS..  trans-78.8106.9170.8176.15.7000110V19 S20 L21D17-V19 VanDerWaalsContact C-N 3.25Å; D17-V19 PolarHBondContact O-N 3.34Å; D17-V19 PolarHBondContact OD1-N 2.98Å; D17-S20 PolarHBondContact O-N 3.27Å; D17-S20 PolarHBondContact O-OG 2.96Å; D17-L21 PolarHBondContact O-N 3.16Å
18V93Very high73.3Confident1 Ų184.6 Ų84.61%0.00645%0.452CS..Hα-helixtrans-61.7-31.9-176.4-179.60000112.3V16 L21 L22 L54 I86 E109 F183V16-V18 PolarHBondContact O-N 3.33Å; V18-L21 PolarHBondContact O-N 3.47Å; V18-L22 HydrophobicContact CG1-CD1 4.14Å; V18-L22 WeakPolarHBondContact O-CG 3.3Å; V18-L22 PolarHBondContact O-N 2.95Å; V18-L22 VanDerWaalsContact O-N 3.08Å; V18-L54 HydrophobicContact CG1-CD1 4.34Å; V18-L54 HydrophobicContact CG1-CD2 4.21Å; V18-I86 HydrophobicContact CG1-CD1 4.48Å; V18-I86 HydrophobicContact CG2-CD1 4.09Å; V18-E109 HydrophobicContact CG2-CB 3.66Å; V18-E109 HydrophobicContact CG2-CG 4.48Å; V18-F183 HydrophobicContact CG1-CD1 4.12Å; V18-F183 HydrophobicContact CG1-CE1 3.68Å; V18-F183 HydrophobicContact CG1-CZ 4.35Å
19V93.3Very high76.5Confident32 Ų3277.8 Ų77.819%0.19442%0.416CS..Hα-helixtrans-68.2-46.5178.4179.80000110D17 L21 L22 Q23 P213D17-V19 VanDerWaalsContact C-N 3.25Å; D17-V19 PolarHBondContact O-N 3.34Å; D17-V19 PolarHBondContact OD1-N 2.98Å; V19-L21 VanDerWaalsContact C-N 3.29Å; V19-L21 PolarHBondContact O-N 3.33Å; V19-L22 PolarHBondContact O-N 2.84Å; V19-Q23 WeakPolarHBondContact O-CG 3.46Å; V19-Q23 PolarHBondContact O-N 3.43Å; V19-P213 HydrophobicContact CG1-CG 4.12Å
20S92.1Very high79.7Confident40 Ų4071.3 Ų71.328%0.2838%0.384SS..Hα-helixtrans-60.4-39.7175.578.30000111.9D17 L22 Q23 N24D17-S20 PolarHBondContact O-N 3.27Å; D17-S20 PolarHBondContact O-OG 2.96Å; S20-L22 VanDerWaalsContact C-N 3.33Å; S20-L22 PolarHBondContact O-N 2.88Å; S20-Q23 PolarHBondContact O-N 3.17Å; S20-N24 VanDerWaalsContact O-CB 3.23Å; S20-N24 WeakPolarHBondContact O-CB 3.47Å; S20-N24 PolarHBondContact O-N 3Å; S20-N24 PolarHBondContact O-ND2 3.46Å; S20-N24 VanDerWaalsContact O-ND2 3.16Å
21L92.4Very high82.6Confident42 Ų4263.9 Ų63.922%0.2235%0.35CS..Hα-helixtrans-62-40.3176.9-179.264000111.8V16 D17 V18 V19 C25 L29 P84V16-L21 HydrophobicContact CG1-CD2 4.41Å; D17-L21 PolarHBondContact O-N 3.16Å; V18-L21 PolarHBondContact O-N 3.47Å; V19-L21 VanDerWaalsContact C-N 3.29Å; V19-L21 PolarHBondContact O-N 3.33Å; L21-C25 PolarHBondContact O-SG 3.35Å; L21-L29 HydrophobicContact CD1-CD1 3.98Å; L21-L29 HydrophobicContact CD2-CD1 4.21Å; L21-L29 HydrophobicContact CD2-CD2 3.95Å; L21-L29 HydrophobicContact CG-CD1 3.78Å; L21-L29 HydrophobicContact CG-CD2 3.97Å; L21-P84 HydrophobicContact CD2-CG 3.76Å
22L93.6Very high85Confident2 Ų259 Ų591%0.0132%0.32CS..Hα-helixtrans-72-33.2177.9-75162.5000112.7V18 V19 S20 L29 F183 P213 I215 H236V18-L22 HydrophobicContact CG1-CD1 4.14Å; V18-L22 WeakPolarHBondContact O-CG 3.3Å; V18-L22 PolarHBondContact O-N 2.95Å; V18-L22 VanDerWaalsContact O-N 3.08Å; V19-L22 PolarHBondContact O-N 2.84Å; S20-L22 VanDerWaalsContact C-N 3.33Å; S20-L22 PolarHBondContact O-N 2.88Å; L22-L29 HydrophobicContact CD2-CB 4.01Å; L22-L29 HydrophobicContact CD2-CD2 3.62Å; L22-L29 HydrophobicContact CD2-CG 4.47Å; L22-L29 HydrophobicContact CG-CD2 4.12Å; L22-F183 HydrophobicContact CD1-CB 3.84Å; L22-F183 HydrophobicContact CD1-CD1 4Å; L22-F183 HydrophobicContact CD1-CD2 4.16Å; L22-F183 HydrophobicContact CD1-CG 3.74Å; L22-P213 HydrophobicContact CB-CB 3.74Å; L22-P213 HydrophobicContact CB-CG 3.97Å; L22-P213 HydrophobicContact CD1-CB 3.89Å; L22-P213 HydrophobicContact CD1-CG 4.41Å; L22-P213 HydrophobicContact CG-CB 4.36Å; L22-I215 HydrophobicContact CD1-CD1 4.22Å; L22-I215 HydrophobicContact CD2-CD1 3.96Å; L22-I215 HydrophobicContact CD2-CG1 3.93Å; L22-H236 HydrophobicContact CB-CB 4.21Å; L22-H236 HydrophobicContact CD2-CB 4.34Å; L22-H236 WeakPolarHBondContact O-CB 3.31Å; L22-H236 PolarHBondContact O-CD2 2.99Å
23Q90.2Very high87.1Confident104 Ų10450.6 Ų50.649%0.48628%0.282SS..Hα-helixtrans-83.1-29.3-176.8-70.9177.3-28.800113.6V19 S20 P213V19-Q23 WeakPolarHBondContact O-CG 3.46Å; V19-Q23 PolarHBondContact O-N 3.43Å; S20-Q23 PolarHBondContact O-N 3.17Å; Q23-P213 HydrophobicContact CG-CG 3.86Å
24N84.1Confident88.8Confident128 Ų12849.7 Ų49.768%0.68428%0.281SS*.SBendtrans-90.63.6-170.9-67.8-22.6000114.7S20S20-N24 VanDerWaalsContact O-CB 3.23Å; S20-N24 WeakPolarHBondContact O-CB 3.47Å; S20-N24 PolarHBondContact O-N 3Å; S20-N24 PolarHBondContact O-ND2 3.46Å; S20-N24 VanDerWaalsContact O-ND2 3.16Å
25C75.3Confident90.4Very high43 Ų4346.2 Ų46.229%0.29126%0.257SS..  trans-92.8130-179.1-67.70000112.3L21 S27L21-C25 PolarHBondContact O-SG 3.35Å; C25-S27 WeakPolarHBondContact CB-O 3.38Å; C25-S27 PolarHBondContact O-N 2.85Å
26E77.2Confident91.3Very high210 Ų21045.2 Ų45.298%0.98125%0.246SC*.SBendtrans-67.1-17.2171.5-63.1-175.9165.700113.1
27S87.2Confident91.4Very high56 Ų5649.4 Ų49.439%0.39226%0.257SS..SBendtrans-128.1156.9179.1610000109.6C25 L29C25-S27 WeakPolarHBondContact CB-O 3.38Å; C25-S27 PolarHBondContact O-N 2.85Å; S27-L29 PolarHBondContact O-N 2.91Å
28P93.3Very high91.6Very high12 Ų1248.4 Ų48.48%0.07825%0.248CC..  trans-62.8133.1-179.727.7-36.9000110.8Y30 V226 V238P28-Y30 VanDerWaalsContact O-CD1 3.24Å; P28-Y30 WeakPolarHBondContact O-CD1 3.24Å; P28-Y30 WeakPolarHBondContact O-CE1 3.46Å; P28-V226 HydrophobicContact CG-CG1 4.1Å; P28-V226 WeakPolarHBondContact CG-O 3.4Å; P28-V238 HydrophobicContact CB-CG2 3.89Å; P28-V238 HydrophobicContact CG-CG2 4.29Å
29L96.1Very high91.7Very high0 Ų048.3 Ų48.30%025%0.248CC..EExtended strand (participates in β ladder)trans-57.5138.3176.9-161.775.6000112.1L21 L22 S27 V31 Q53 L54 H236 G237 V238L21-L29 HydrophobicContact CD1-CD1 3.98Å; L21-L29 HydrophobicContact CD2-CD1 4.21Å; L21-L29 HydrophobicContact CD2-CD2 3.95Å; L21-L29 HydrophobicContact CG-CD1 3.78Å; L21-L29 HydrophobicContact CG-CD2 3.97Å; L22-L29 HydrophobicContact CD2-CB 4.01Å; L22-L29 HydrophobicContact CD2-CD2 3.62Å; L22-L29 HydrophobicContact CD2-CG 4.47Å; L22-L29 HydrophobicContact CG-CD2 4.12Å; S27-L29 PolarHBondContact O-N 2.91Å; L29-V31 HydrophobicContact CB-CG2 4.38Å; L29-V31 HydrophobicContact CD2-CG2 4.29Å; L29-V31 HydrophobicContact CG-CG2 4.43Å; L29-V31 PolarHBondContact O-N 3.03Å; L29-Q53 HydrophobicContact CD1-CB 3.74Å; L29-Q53 HydrophobicContact CD1-CG 4.33Å; L29-Q53 HydrophobicContact CG-CB 4.06Å; L29-L54 HydrophobicContact CD2-CB 3.89Å; L29-L54 HydrophobicContact CD2-CD2 4.15Å; L29-H236 WeakPolarHBondContact CB-O 3.39Å; L29-H236 PolarHBondContact N-O 3.35Å; L29-G237 WeakPolarHBondContact O-CA 3.38Å; L29-V238 PolarHBondContact O-N 3.15Å
30Y97.4Very high91.8Very high41 Ų4150.7 Ų50.716%0.16125%0.253CS..EExtended strand (participates in β ladder)trans-86.8102.3-178.6-61.3-12.2000111.6P28 G51 C52 Q53 L54 L223 V226 F251P28-Y30 VanDerWaalsContact O-CD1 3.24Å; P28-Y30 WeakPolarHBondContact O-CD1 3.24Å; P28-Y30 WeakPolarHBondContact O-CE1 3.46Å; Y30-G51 WeakPolarHBondContact CD2-O 3.38Å; Y30-C52 PolarHBondContact O-SG 3.29Å; Y30-Q53 PolarHBondContact O-N 2.95Å; Y30-L54 PolarHBondContact O-N 3.5Å; Y30-L223 HydrophobicContact CE1-CD1 3.96Å; Y30-L223 HydrophobicContact CE2-CD1 4.02Å; Y30-V226 HydrophobicContact CD1-CG1 3.64Å; Y30-V226 HydrophobicContact CE1-CG1 3.64Å; Y30-F251 HydrophobicContact CD1-CD1 4.18Å; Y30-F251 HydrophobicContact CD1-CE1 4.33Å; Y30-F251 HydrophobicContact CD2-CB 3.99Å; Y30-F251 AromaticContact CD2-CD1 3.9Å; Y30-F251 HydrophobicContact CD2-CD1 3.9Å; Y30-F251 HydrophobicContact CD2-CG 4.11Å; Y30-F251 AromaticContact CG-CD1 3.6Å; Y30-F251 HydrophobicContact CG-CD1 3.6Å; Y30-F251 AromaticContact CG-CE1 3.95Å; Y30-F251 HydrophobicContact CG-CE1 3.95Å; Y30-F251 HydrophobicContact CG-CG 4.14Å
31V98Very high92Very high0 Ų049.2 Ų49.20%024%0.242CC..EExtended strand (participates in β ladder)trans-110.4131.6-169.4-173.20000111.9L29 L54 F56 I215 V238 M239 V240L29-V31 HydrophobicContact CB-CG2 4.38Å; L29-V31 HydrophobicContact CD2-CG2 4.29Å; L29-V31 HydrophobicContact CG-CG2 4.43Å; L29-V31 PolarHBondContact O-N 3.03Å; V31-L54 CarbonylContact C-O 3.52Å; V31-L54 WeakPolarHBondContact CA-O 3.47Å; V31-L54 HydrophobicContact CG1-CB 4.3Å; V31-L54 HydrophobicContact CG1-CD2 4.15Å; V31-L54 HydrophobicContact CG1-CG 4.29Å; V31-L54 HydrophobicContact CG2-CB 4.17Å; V31-L54 HydrophobicContact CG2-CD2 4.19Å; V31-F56 HydrophobicContact CG1-CD2 3.87Å; V31-F56 HydrophobicContact CG1-CE2 3.58Å; V31-I215 HydrophobicContact CG2-CD1 4.29Å; V31-I215 HydrophobicContact CG2-CG2 4.27Å; V31-V238 PolarHBondContact N-O 3.28Å; V31-M239 HydrophobicContact CB-CB 4.05Å; V31-M239 HydrophobicContact CB-CG 4.48Å; V31-M239 HydrophobicContact CG1-CB 4.1Å; V31-M239 HydrophobicContact CG1-CE 3.76Å; V31-M239 HydrophobicContact CG1-CG 4.13Å; V31-M239 CarbonylContact O-C 3.59Å; V31-M239 VanDerWaalsContact O-CA 3.3Å; V31-M239 WeakPolarHBondContact O-CA 3.43Å; V31-V240 PolarHBondContact O-N 2.82Å
32S98.1Very high92.1Very high0 Ų047.9 Ų47.90%024%0.236CC..EExtended strand (participates in β ladder)trans-90.7129.2172.2178.60000111.1C52 L54 F56S32-C52 VanDerWaalsContact CB-SG 3.52Å; S32-C52 PolarHBondContact N-SG 3.33Å; S32-L54 PolarHBondContact N-O 3.01Å; S32-F56 WeakPolarHBondContact O-CD2 3.32Å; S32-F56 PolarHBondContact O-N 3.46Å
33A97.8Very high92.3Very high3 Ų347.8 Ų47.83%0.02524%0.236CC..PPolyproline II helixtrans-74.6153.8-175.300000113.8M35 S39 M239 V240 A241A33-M35 HydrophobicContact CB-CG 4.49Å; A33-M35 PolarHBondContact O-N 3.33Å; A33-S39 PolarHBondContact O-OG 3.12Å; A33-M239 HydrophobicContact CB-CG 3.56Å; A33-M239 HydrophobicContact CB-SD 3.74Å; A33-V240 VanDerWaalsContact CB-O 3.23Å; A33-V240 WeakPolarHBondContact CB-O 3.27Å; A33-V240 PolarHBondContact N-O 3.35Å; A33-A241 HydrophobicContact CB-CB 3.53Å
34P97.5Very high92.6Very high21 Ų2143 Ų4314%0.13621%0.213CC..PPolyproline II helixtrans-69.8117.1167.526.7-30.3000110.3F56 T57 Q88 K159P34-F56 HydrophobicContact CB-CB 4.03Å; P34-F56 HydrophobicContact CG-CB 4.3Å; P34-F56 HydrophobicContact CG-CD1 4.45Å; P34-T57 VanDerWaalsContact CA-O 3.24Å; P34-T57 WeakPolarHBondContact CA-O 3.13Å; P34-T57 WeakPolarHBondContact CB-O 3.45Å; P34-Q88 HydrophobicContact CB-CB 4.17Å; P34-Q88 HydrophobicContact CB-CG 4.49Å; P34-Q88 VanDerWaalsContact CG-CD 3.44Å; P34-Q88 VanDerWaalsContact CG-NE2 3.31Å; P34-Q88 VanDerWaalsContact CG-OE1 3.25Å; P34-K159 HydrophobicContact CG-CD 4.1Å
35M95.6Very high93.2Very high19 Ų1938.1 Ų38.19%0.09419%0.19CC..  trans-127.3112.4178.9-61.6177.3-76.400109.5A33 R37 Y38 S39 F43 A241 L245A33-M35 HydrophobicContact CB-CG 4.49Å; A33-M35 PolarHBondContact O-N 3.33Å; M35-R37 PolarHBondContact O-N 3.27Å; M35-Y38 HydrophobicContact CB-CD2 4.23Å; M35-Y38 PolarHBondContact O-N 2.89Å; M35-S39 WeakPolarHBondContact CB-OG 3.39Å; M35-S39 WeakPolarHBondContact CE-OG 3.4Å; M35-S39 PolarHBondContact N-OG 3.44Å; M35-S39 PolarHBondContact O-N 2.88Å; M35-F43 HydrophobicContact CE-CD1 4.49Å; M35-F43 HydrophobicContact CE-CE1 3.79Å; M35-A241 HydrophobicContact CG-CB 4.34Å; M35-A241 VanDerWaalsContact SD-C 3.56Å; M35-A241 HydrophobicContact SD-CB 4.07Å; M35-L245 HydrophobicContact CE-CD2 4.04Å; M35-L245 HydrophobicContact CE-CG 4.19Å; M35-L245 HydrophobicContact SD-CD1 3.88Å; M35-L245 HydrophobicContact SD-CD2 4.26Å; M35-L245 HydrophobicContact SD-CG 3.9Å
36V91.1Very high94.3Very high79 Ų7936 Ų3648%0.47918%0.176SC..THydrogen-bonded Turntrans-50.7129.5178.2175.70000109.9Y38 M59V36-Y38 VanDerWaalsContact O-CD2 3.26Å; V36-Y38 WeakPolarHBondContact O-CD2 3.35Å; V36-Y38 PolarHBondContact O-N 3.03Å; V36-M59 HydrophobicContact CG2-CB 3.91Å; V36-M59 HydrophobicContact CG2-CE 4.36Å
37R86.1Confident95.2Very high138 Ų13826 Ų2652%0.52113%0.13SC..THydrogen-bonded Turntrans73.3-29.2-172.4-58.5163.9177.7176.2-6.1116.5M35 L278M35-R37 PolarHBondContact O-N 3.27Å; R37-L278 VanDerWaalsContact O-CD1 3.28Å; R37-L278 WeakPolarHBondContact O-CD1 3.43Å
38Y93.8Very high95.7Very high45 Ų4525.2 Ų25.218%0.17612%0.118CC..THydrogen-bonded Turntrans-99.2-42-167.7-56.2-68.4000114.7M35 V36 R40 F43 L245 L278 R281 H282 F285M35-Y38 HydrophobicContact CB-CD2 4.23Å; M35-Y38 PolarHBondContact O-N 2.89Å; V36-Y38 VanDerWaalsContact O-CD2 3.26Å; V36-Y38 WeakPolarHBondContact O-CD2 3.35Å; V36-Y38 PolarHBondContact O-N 3.03Å; Y38-R40 PolarHBondContact O-N 2.93Å; Y38-F43 VanDerWaalsContact O-CB 3.24Å; Y38-F43 WeakPolarHBondContact O-CB 3.27Å; Y38-L245 HydrophobicContact CD1-CD2 4.28Å; Y38-L245 HydrophobicContact CD2-CD1 4.02Å; Y38-L245 HydrophobicContact CE2-CD1 4.37Å; Y38-L245 HydrophobicContact CG-CD1 4.14Å; Y38-L245 HydrophobicContact CG-CD2 3.98Å; Y38-L278 HydrophobicContact CD1-CD1 4.12Å; Y38-L278 HydrophobicContact CE1-CD1 4.5Å; Y38-R281 HydrophobicContact CE1-CB 4.31Å; Y38-H282 AromaticContact CD1-CE1 3.93Å; Y38-H282 AromaticContact CD1-NE2 3.71Å; Y38-F285 HydrophobicContact CD1-CE2 4.46Å; Y38-F285 HydrophobicContact CE1-CD2 4.49Å; Y38-F285 AromaticContact CE1-CE2 3.71Å; Y38-F285 HydrophobicContact CE1-CE2 3.71Å; Y38-F285 AromaticContact CZ-CE2 3.79Å
39S95.8Very high95.8Very high0 Ų029.8 Ų29.80%014%0.138CC..SBendtrans-75.536.3-175.7-53.40000114A33 M35 R44 F56 P58A33-S39 PolarHBondContact O-OG 3.12Å; M35-S39 WeakPolarHBondContact CB-OG 3.39Å; M35-S39 WeakPolarHBondContact CE-OG 3.4Å; M35-S39 PolarHBondContact N-OG 3.44Å; M35-S39 PolarHBondContact O-N 2.88Å; S39-R44 PolarHBondContact O-NH1 3.48Å; S39-F56 WeakPolarHBondContact CB-O 3.41Å; S39-P58 WeakPolarHBondContact O-CD 3.34Å
40R94.9Very high95.8Very high81 Ų8131.4 Ų31.431%0.30614%0.144SC..SBendtrans-75.7164.6176.7-69.2-174164.7-172.7-7111Y38 P42 F43 R44 P58Y38-R40 PolarHBondContact O-N 2.93Å; R40-P42 VanDerWaalsContact C-CD 3.47Å; R40-F43 PolarHBondContact O-N 3.41Å; R40-R44 VanDerWaalsContact C-NH1 3.34Å; R40-R44 PolarHBondContact O-N 3.37Å; R40-P58 HydrophobicContact CG-CG 3.9Å
41L96.2Very high95.7Very high10 Ų1031.1 Ų31.15%0.05215%0.154CC..Hα-helixtrans-44.8-50.6-176173.460.6000114.4F43 R44 A45 S77 D79 D82 Y272L41-F43 VanDerWaalsContact C-N 3.31Å; L41-F43 PolarHBondContact O-N 3.29Å; L41-R44 PolarHBondContact O-N 2.72Å; L41-R44 VanDerWaalsContact O-N 3.14Å; L41-A45 PolarHBondContact O-N 3.23Å; L41-S77 WeakPolarHBondContact CB-OG 3.35Å; L41-D79 HydrophobicContact CD2-CB 4.43Å; L41-D82 HydrophobicContact CD1-CB 3.81Å; L41-Y272 HydrophobicContact CD2-CD1 3.8Å; L41-Y272 HydrophobicContact CD2-CE1 3.53Å; L41-Y272 HydrophobicContact CG-CD1 4.15Å; L41-Y272 HydrophobicContact CG-CE1 3.82Å
42P95.4Very high95.6Very high13 Ų1331.5 Ų31.58%0.08416%0.156CC..Hα-helixtrans-58.3-42.1179.6-8.49.7000112.8R40 A45 L46 W265 I268 Y272 V274R40-P42 VanDerWaalsContact C-CD 3.47Å; P42-A45 PolarHBondContact O-N 3.12Å; P42-L46 PolarHBondContact O-N 3.37Å; P42-L46 VanDerWaalsContact O-N 3.1Å; P42-W265 HydrophobicContact CB-CH2 4.22Å; P42-W265 HydrophobicContact CB-CZ3 3.98Å; P42-I268 HydrophobicContact CB-CG2 3.7Å; P42-I268 VanDerWaalsContact O-CG2 3.26Å; P42-I268 WeakPolarHBondContact O-CG2 3.39Å; P42-Y272 HydrophobicContact CB-CD2 3.88Å; P42-Y272 HydrophobicContact CB-CG 4.27Å; P42-Y272 HydrophobicContact CG-CD2 4.3Å; P42-Y272 HydrophobicContact CG-CG 4.18Å; P42-V274 HydrophobicContact CB-CG2 3.61Å; P42-V274 HydrophobicContact CG-CG2 3.27Å
43F97Very high95.5Very high1 Ų134.8 Ų34.80%0.00417%0.172CC..Hα-helixtrans-71.8-35.7179.6-174-108000111.9M35 Y38 R40 L41 L46 V47 L244 L245 P248 W265 H282 M286M35-F43 HydrophobicContact CE-CD1 4.49Å; M35-F43 HydrophobicContact CE-CE1 3.79Å; Y38-F43 VanDerWaalsContact O-CB 3.24Å; Y38-F43 WeakPolarHBondContact O-CB 3.27Å; R40-F43 PolarHBondContact O-N 3.41Å; L41-F43 VanDerWaalsContact C-N 3.31Å; L41-F43 PolarHBondContact O-N 3.29Å; F43-L46 HydrophobicContact CD2-CD2 4.41Å; F43-L46 HydrophobicContact CE2-CD2 4.49Å; F43-L46 WeakPolarHBondContact O-CB 3.48Å; F43-L46 PolarHBondContact O-N 3.25Å; F43-V47 HydrophobicContact CD1-CG1 4.45Å; F43-V47 HydrophobicContact CE1-CG1 3.88Å; F43-V47 HydrophobicContact CE2-CG1 4.23Å; F43-V47 HydrophobicContact CZ-CG1 3.75Å; F43-V47 PolarHBondContact O-N 3.37Å; F43-L244 HydrophobicContact CZ-CB 4.18Å; F43-L245 HydrophobicContact CE1-CD2 3.93Å; F43-L245 HydrophobicContact CE2-CD2 4.16Å; F43-L245 HydrophobicContact CZ-CD2 3.7Å; F43-P248 HydrophobicContact CE2-CB 4.43Å; F43-P248 HydrophobicContact CE2-CG 4.25Å; F43-W265 HydrophobicContact CB-CH2 4.32Å; F43-W265 HydrophobicContact CB-CZ3 4.17Å; F43-W265 HydrophobicContact CD2-CZ3 4.35Å; F43-H282 AromaticContact CD2-CE1 3.28Å; F43-H282 WeakPolarHBondContact CD2-CE1 3.38Å; F43-H282 AromaticContact CD2-ND1 3.36Å; F43-H282 WeakPolarHBondContact CD2-ND1 3.48Å; F43-H282 AromaticContact CE2-CE1 3.81Å; F43-H282 AromaticContact CE2-ND1 3.64Å; F43-H282 AromaticContact CG-CE1 3.45Å; F43-H282 VanDerWaalsContact CG-CE1 3.45Å; F43-H282 WeakPolarHBondContact CG-CE1 3.41Å; F43-M286 HydrophobicContact CE2-CE 4.33Å
44R97.7Very high95.4Very high4 Ų434.7 Ų34.72%0.01517%0.171CC..Hα-helixtrans-61.5-45.1172.6-64.7-167.4-54.3-94.86.7111.3S39 R40 L41 L46 V47 R48 C55 S77 D82S39-R44 PolarHBondContact O-NH1 3.48Å; R40-R44 VanDerWaalsContact C-NH1 3.34Å; R40-R44 PolarHBondContact O-N 3.37Å; L41-R44 PolarHBondContact O-N 2.72Å; L41-R44 VanDerWaalsContact O-N 3.14Å; R44-L46 VanDerWaalsContact C-N 3.28Å; R44-L46 PolarHBondContact O-N 3.34Å; R44-V47 VanDerWaalsContact O-CG2 3.32Å; R44-V47 WeakPolarHBondContact O-CG2 3.32Å; R44-V47 PolarHBondContact O-N 3.15Å; R44-R48 WeakPolarHBondContact O-CB 3.43Å; R44-R48 WeakPolarHBondContact O-CG 3.46Å; R44-R48 PolarHBondContact O-N 3.13Å; R44-C55 HydrophobicContact CB-CB 4.3Å; R44-C55 HydrophobicContact CG-CB 4.07Å; R44-S77 PolarHBondContact NH2-O 3.27Å; R44-D82 IonicContact CZ-OD2 2.9Å; R44-D82 IonicContact NE-OD1 3.54Å; R44-D82 PolarHBondContact NE-OD1 3.15Å; R44-D82 IonicContact NE-OD2 3.88Å; R44-D82 PolarHBondContact NE-OD2 3.26Å; R44-D82 IonicContact NH2-OD2 3.96Å; R44-D82 PolarHBondContact NH2-OD2 2.96Å
45A96.8Very high95.4Very high24 Ų2433.7 Ų33.720%0.19816%0.164CC..Hα-helixtrans-57.7-41174.800000112L41 P42 H49 I268 Y272L41-A45 PolarHBondContact O-N 3.23Å; P42-A45 PolarHBondContact O-N 3.12Å; A45-H49 PolarHBondContact O-N 3.41Å; A45-H49 VanDerWaalsContact O-N 3.12Å; A45-I268 HydrophobicContact CB-CD1 4.46Å; A45-Y272 HydrophobicContact CB-CE2 4.17Å
46L97.2Very high95.6Very high0 Ų032.8 Ų32.80%016%0.16CC..Hα-helixtrans-63.9-49.8176.5-177.168.5000112.4P42 F43 R44 R48 H49 Y50 P248 K264 W265 I268 M286P42-L46 PolarHBondContact O-N 3.37Å; P42-L46 VanDerWaalsContact O-N 3.1Å; F43-L46 HydrophobicContact CD2-CD2 4.41Å; F43-L46 HydrophobicContact CE2-CD2 4.49Å; F43-L46 WeakPolarHBondContact O-CB 3.48Å; F43-L46 PolarHBondContact O-N 3.25Å; R44-L46 VanDerWaalsContact C-N 3.28Å; R44-L46 PolarHBondContact O-N 3.34Å; L46-R48 VanDerWaalsContact C-N 3.35Å; L46-R48 PolarHBondContact O-N 3Å; L46-H49 WeakPolarHBondContact O-CB 3.28Å; L46-H49 PolarHBondContact O-N 3.17Å; L46-Y50 HydrophobicContact CD1-CD2 4.34Å; L46-Y50 HydrophobicContact CD1-CE2 3.87Å; L46-Y50 HydrophobicContact CG-CE2 4.49Å; L46-Y50 VanDerWaalsContact O-CD2 3.32Å; L46-Y50 WeakPolarHBondContact O-CD2 3.49Å; L46-Y50 PolarHBondContact O-N 3.42Å; L46-P248 HydrophobicContact CD2-CB 3.57Å; L46-P248 HydrophobicContact CD2-CG 3.7Å; L46-P248 HydrophobicContact CG-CB 3.93Å; L46-K264 HydrophobicContact CD1-CB 3.99Å; L46-K264 HydrophobicContact CD1-CG 3.9Å; L46-W265 HydrophobicContact CB-CE3 4.38Å; L46-W265 HydrophobicContact CD2-CB 4.05Å; L46-W265 HydrophobicContact CD2-CD2 4.3Å; L46-W265 HydrophobicContact CD2-CE3 3.79Å; L46-W265 HydrophobicContact CD2-CG 4.45Å; L46-I268 HydrophobicContact CB-CD1 3.92Å; L46-I268 HydrophobicContact CD1-CD1 3.97Å; L46-M286 HydrophobicContact CD2-CE 3.48Å; L46-M286 VanDerWaalsContact CD2-CE 3.48Å; L46-M286 HydrophobicContact CD2-SD 4.45Å
47V97.2Very high95.9Very high0 Ų029 Ų290%014%0.137CC..Hα-helixtrans-70.6-31-178-61.80000112.5F43 R44 H49 Y50 G51 C52 L244 P248F43-V47 HydrophobicContact CD1-CG1 4.45Å; F43-V47 HydrophobicContact CE1-CG1 3.88Å; F43-V47 HydrophobicContact CE2-CG1 4.23Å; F43-V47 HydrophobicContact CZ-CG1 3.75Å; F43-V47 PolarHBondContact O-N 3.37Å; R44-V47 VanDerWaalsContact O-CG2 3.32Å; R44-V47 WeakPolarHBondContact O-CG2 3.32Å; R44-V47 PolarHBondContact O-N 3.15Å; V47-H49 VanDerWaalsContact C-N 3.34Å; V47-Y50 CarbonylContact O-C 3.56Å; V47-Y50 PolarHBondContact O-N 3.21Å; V47-Y50 VanDerWaalsContact O-N 3.15Å; V47-G51 PolarHBondContact O-N 2.8Å; V47-C52 HydrophobicContact CB-CB 4Å; V47-C52 HydrophobicContact CG2-CB 3.92Å; V47-C52 WeakPolarHBondContact O-CB 3.25Å; V47-C52 PolarHBondContact O-N 3.33Å; V47-L244 HydrophobicContact CG1-CB 4.47Å; V47-L244 HydrophobicContact CG1-CD1 4.49Å; V47-L244 HydrophobicContact CG1-CD2 4.15Å; V47-P248 HydrophobicContact CG1-CB 4.24Å
48R96.4Very high96.4Very high39 Ų3922.9 Ų22.915%0.14712%0.115CC..Hα-helixtrans-61.8-42.6171.3-76.6-175.2-170.9-74.33.9111.6R44 L46 Y50 G51 D82 C83 P84R44-R48 WeakPolarHBondContact O-CB 3.43Å; R44-R48 WeakPolarHBondContact O-CG 3.46Å; R44-R48 PolarHBondContact O-N 3.13Å; L46-R48 VanDerWaalsContact C-N 3.35Å; L46-R48 PolarHBondContact O-N 3Å; R48-Y50 PolarHBondContact O-N 3.3Å; R48-Y50 VanDerWaalsContact O-N 3.09Å; R48-G51 PolarHBondContact O-N 3.5Å; R48-D82 IonicContact CZ-OD1 3.76Å; R48-D82 IonicContact NE-OD1 2.77Å; R48-D82 PolarHBondContact NE-OD1 3.46Å; R48-D82 IonicContact NH2-OD1 2.72Å; R48-D82 PolarHBondContact NH2-OD1 2.88Å; R48-C83 PolarHBondContact NH1-O 3.41Å; R48-C83 VanDerWaalsContact NH1-O 3.08Å; R48-P84 PolarHBondContact NH1-O 3.36Å; R48-P84 PolarHBondContact NH2-O 3.48Å
49H95.4Very high96.5Very high108 Ų10821.8 Ų21.850%0.511%0.112SC..Hα-helixtrans-56.8-27.4175.4-17366.7000112.7A45 L46 V47A45-H49 PolarHBondContact O-N 3.41Å; A45-H49 VanDerWaalsContact O-N 3.12Å; L46-H49 WeakPolarHBondContact O-CB 3.28Å; L46-H49 PolarHBondContact O-N 3.17Å; V47-H49 VanDerWaalsContact C-N 3.34Å
50Y96.5Very high96.5Very high33 Ų3322 Ų2213%0.12911%0.113CC..THydrogen-bonded Turntrans-100.921.8176.7-70-68.4000114.7L46 V47 R48 F251 S252 C261L46-Y50 HydrophobicContact CD1-CD2 4.34Å; L46-Y50 HydrophobicContact CD1-CE2 3.87Å; L46-Y50 HydrophobicContact CG-CE2 4.49Å; L46-Y50 VanDerWaalsContact O-CD2 3.32Å; L46-Y50 WeakPolarHBondContact O-CD2 3.49Å; L46-Y50 PolarHBondContact O-N 3.42Å; V47-Y50 CarbonylContact O-C 3.56Å; V47-Y50 PolarHBondContact O-N 3.21Å; V47-Y50 VanDerWaalsContact O-N 3.15Å; R48-Y50 PolarHBondContact O-N 3.3Å; R48-Y50 VanDerWaalsContact O-N 3.09Å; Y50-F251 CarbonylContact O-C 3.5Å; Y50-F251 VanDerWaalsContact O-CB 3.32Å; Y50-F251 WeakPolarHBondContact O-CB 3.4Å; Y50-S252 PolarHBondContact O-N 3.18Å; Y50-C261 HydrophobicContact CE2-CB 3.89Å; Y50-C261 WeakPolarHBondContact CE2-SG 3.28Å; Y50-C261 WeakPolarHBondContact OH-CA 3.44Å; Y50-C261 WeakPolarHBondContact OH-CB 3.36Å; Y50-C261 PolarHBondContact OH-N 2.8Å
51G94.5Very high96.5Very high36 Ų3621.3 Ų21.337%0.37111%0.111SC..THydrogen-bonded Turntrans93.812.717000000115.4Y30 V47 R48 Q53Y30-G51 WeakPolarHBondContact CD2-O 3.38Å; V47-G51 PolarHBondContact O-N 2.8Å; R48-G51 PolarHBondContact O-N 3.5Å; G51-Q53 PolarHBondContact O-N 3.23Å
52C96.5Very high96.5Very high7 Ų720.9 Ų20.95%0.04711%0.109CC..  trans-66.6126.3167.8-171.40000110.5Y30 S32 V47 L54 F251Y30-C52 PolarHBondContact O-SG 3.29Å; S32-C52 VanDerWaalsContact CB-SG 3.52Å; S32-C52 PolarHBondContact N-SG 3.33Å; V47-C52 HydrophobicContact CB-CB 4Å; V47-C52 HydrophobicContact CG2-CB 3.92Å; V47-C52 WeakPolarHBondContact O-CB 3.25Å; V47-C52 PolarHBondContact O-N 3.33Å; C52-L54 PolarHBondContact SG-O 3.46Å; C52-L54 VanDerWaalsContact SG-O 3.4Å; C52-F251 HydrophobicContact CB-CD2 3.7Å; C52-F251 HydrophobicContact CB-CE2 3.85Å
53Q95.7Very high96.5Very high70 Ų7025.5 Ų25.533%0.32713%0.128SC..  trans-96.9-28.5-172.6-65.8166-5300112.9L29 Y30 G51 P84L29-Q53 HydrophobicContact CD1-CB 3.74Å; L29-Q53 HydrophobicContact CD1-CG 4.33Å; L29-Q53 HydrophobicContact CG-CB 4.06Å; Y30-Q53 PolarHBondContact O-N 2.95Å; G51-Q53 PolarHBondContact O-N 3.23Å; Q53-P84 VanDerWaalsContact O-CD 3.26Å; Q53-P84 WeakPolarHBondContact O-CD 3.45Å; Q53-P84 VanDerWaalsContact O-CG 3.25Å; Q53-P84 WeakPolarHBondContact O-CG 3.49Å
54L96.6Very high96.3Very high0 Ų028.3 Ų28.30%015%0.147CC..EExtended strand (participates in β ladder)trans-136.2124.1177.2-178.566000110V18 L29 Y30 V31 S32 C52 F56 P84 I86 I215V18-L54 HydrophobicContact CG1-CD1 4.34Å; V18-L54 HydrophobicContact CG1-CD2 4.21Å; L29-L54 HydrophobicContact CD2-CB 3.89Å; L29-L54 HydrophobicContact CD2-CD2 4.15Å; Y30-L54 PolarHBondContact O-N 3.5Å; V31-L54 CarbonylContact C-O 3.52Å; V31-L54 WeakPolarHBondContact CA-O 3.47Å; V31-L54 HydrophobicContact CG1-CB 4.3Å; V31-L54 HydrophobicContact CG1-CD2 4.15Å; V31-L54 HydrophobicContact CG1-CG 4.29Å; V31-L54 HydrophobicContact CG2-CB 4.17Å; V31-L54 HydrophobicContact CG2-CD2 4.19Å; S32-L54 PolarHBondContact N-O 3.01Å; C52-L54 PolarHBondContact SG-O 3.46Å; C52-L54 VanDerWaalsContact SG-O 3.4Å; L54-F56 HydrophobicContact CD2-CE2 3.9Å; L54-F56 HydrophobicContact CG-CE2 4.05Å; L54-P84 HydrophobicContact CD1-CB 4.01Å; L54-P84 HydrophobicContact CD1-CG 3.88Å; L54-I86 HydrophobicContact CD1-CG1 3.98Å; L54-I215 HydrophobicContact CD2-CD1 4.41Å
55C97.7Very high96.2Very high0 Ų028.1 Ų28.10%015%0.146CC..EExtended strand (participates in β ladder)trans-113147.7178.4-66.20000112.3R44 P84 I86R44-C55 HydrophobicContact CB-CB 4.3Å; R44-C55 HydrophobicContact CG-CB 4.07Å; C55-P84 PolarHBondContact N-O 3.03Å; C55-I86 PolarHBondContact O-N 2.94Å
56F98.4Very high96.2Very high0 Ų028.9 Ų28.90%015%0.148CC..EExtended strand (participates in β ladder)trans-110.2146.8171.5-75.1-115000110.3V31 S32 P34 S39 L54 I86 D112 F183 M239V31-F56 HydrophobicContact CG1-CD2 3.87Å; V31-F56 HydrophobicContact CG1-CE2 3.58Å; S32-F56 WeakPolarHBondContact O-CD2 3.32Å; S32-F56 PolarHBondContact O-N 3.46Å; P34-F56 HydrophobicContact CB-CB 4.03Å; P34-F56 HydrophobicContact CG-CB 4.3Å; P34-F56 HydrophobicContact CG-CD1 4.45Å; S39-F56 WeakPolarHBondContact CB-O 3.41Å; L54-F56 HydrophobicContact CD2-CE2 3.9Å; L54-F56 HydrophobicContact CG-CE2 4.05Å; F56-I86 VanDerWaalsContact CA-O 3.31Å; F56-I86 WeakPolarHBondContact CA-O 3.35Å; F56-I86 HydrophobicContact CD1-CB 3.87Å; F56-I86 HydrophobicContact CD1-CG2 3.78Å; F56-I86 HydrophobicContact CD2-CB 4.35Å; F56-I86 HydrophobicContact CE1-CB 3.75Å; F56-I86 HydrophobicContact CE1-CG1 4.34Å; F56-I86 HydrophobicContact CE1-CG2 3.45Å; F56-I86 VanDerWaalsContact CE1-CG2 3.45Å; F56-I86 HydrophobicContact CE2-CB 4.21Å; F56-I86 HydrophobicContact CE2-CG1 4.23Å; F56-I86 HydrophobicContact CG-CB 4.18Å; F56-I86 HydrophobicContact CZ-CB 3.91Å; F56-I86 HydrophobicContact CZ-CG1 4.01Å; F56-I86 HydrophobicContact CZ-CG2 3.97Å; F56-D112 HydrophobicContact CD1-CB 4.2Å; F56-D112 HydrophobicContact CE1-CB 3.76Å; F56-F183 AromaticContact CZ-CE2 3.99Å; F56-F183 HydrophobicContact CZ-CE2 3.99Å; F56-F183 AromaticContact CZ-CZ 3.98Å; F56-F183 HydrophobicContact CZ-CZ 3.98Å; F56-M239 HydrophobicContact CD1-CE 4.41Å; F56-M239 HydrophobicContact CD2-CE 3.85Å; F56-M239 HydrophobicContact CE1-CE 4.17Å; F56-M239 HydrophobicContact CE2-CE 3.63Å; F56-M239 HydrophobicContact CG-CE 4.27Å; F56-M239 HydrophobicContact CZ-CE 3.8Å
57T98.1Very high96Very high1 Ų135.5 Ų35.51%0.00618%0.179CC..PPolyproline II helixtrans-67.3170168.564.10000111.2P34 F76 L85 I86 V87 Q88P34-T57 VanDerWaalsContact CA-O 3.24Å; P34-T57 WeakPolarHBondContact CA-O 3.13Å; P34-T57 WeakPolarHBondContact CB-O 3.45Å; T57-F76 HydrophobicContact CG2-CD2 4.11Å; T57-F76 HydrophobicContact CG2-CE2 4.09Å; T57-L85 HydrophobicContact CG2-CD1 3.93Å; T57-L85 HydrophobicContact CG2-CD2 4.34Å; T57-L85 HydrophobicContact CG2-CG 4.35Å; T57-I86 PolarHBondContact N-O 2.86Å; T57-V87 HydrophobicContact CG2-CB 4.25Å; T57-V87 HydrophobicContact CG2-CG1 4.19Å; T57-V87 HydrophobicContact CG2-CG2 3.95Å; T57-V87 WeakPolarHBondContact OG1-CA 3.36Å; T57-Q88 PolarHBondContact OG1-N 2.91Å
58P96.6Very high95.8Very high9 Ų937.6 Ų37.66%0.05819%0.194CC..PPolyproline II helixtrans-58.9160.4160.3-15.933.8000109.7S39 R40 I60S39-P58 WeakPolarHBondContact O-CD 3.34Å; R40-P58 HydrophobicContact CG-CG 3.9Å; P58-I60 WeakPolarHBondContact O-CG1 3.32Å; P58-I60 PolarHBondContact O-N 3.22Å
59M96Very high95.5Very high22 Ų2241.8 Ų41.811%0.10822%0.215CC..PPolyproline II helixtrans-64.9123.3170.7-176-167.782.600109.8V36 Y61 A90 N114 C117V36-M59 HydrophobicContact CG2-CB 3.91Å; V36-M59 HydrophobicContact CG2-CE 4.36Å; M59-Y61 HydrophobicContact CE-CE1 4.48Å; M59-Y61 HydrophobicContact CE-CE2 4.08Å; M59-A90 HydrophobicContact CE-CB 4.33Å; M59-A90 HydrophobicContact CG-CB 3.92Å; M59-A90 HydrophobicContact SD-CB 3.98Å; M59-N114 HydrophobicContact CG-CB 4.12Å; M59-N114 HydrophobicContact SD-CB 4.17Å; M59-C117 HydrophobicContact SD-CB 4.27Å
60I95.8Very high95Very high3 Ų343.1 Ų43.12%0.01523%0.225CC..EExtended strand (participates in β ladder)trans-111.7137.1179.9-58.2175.6000109.1P58 A62 F65 D75 F76 V87 Q88 F89 A90P58-I60 WeakPolarHBondContact O-CG1 3.32Å; P58-I60 PolarHBondContact O-N 3.22Å; I60-A62 PolarHBondContact O-N 3.4Å; I60-F65 HydrophobicContact CD1-CE2 4.49Å; I60-F65 HydrophobicContact CG2-CB 4.01Å; I60-F65 HydrophobicContact CG2-CD2 3.6Å; I60-F65 HydrophobicContact CG2-CE2 4.38Å; I60-F65 HydrophobicContact CG2-CG 4.09Å; I60-D75 HydrophobicContact CD1-CB 4.28Å; I60-D75 HydrophobicContact CG1-CB 4.21Å; I60-D75 HydrophobicContact CG2-CB 4.02Å; I60-F76 HydrophobicContact CD1-CB 4.03Å; I60-F76 HydrophobicContact CD1-CD2 4.47Å; I60-V87 HydrophobicContact CD1-CG1 4.14Å; I60-Q88 PolarHBondContact N-O 3.49Å; I60-F89 HydrophobicContact CB-CD1 3.91Å; I60-F89 HydrophobicContact CB-CE1 4.05Å; I60-F89 HydrophobicContact CG2-CD1 4.08Å; I60-F89 HydrophobicContact CG2-CE1 3.94Å; I60-F89 CarbonylContact O-C 3.51Å; I60-F89 VanDerWaalsContact O-CA 3.23Å; I60-F89 WeakPolarHBondContact O-CA 3.39Å; I60-A90 PolarHBondContact O-N 2.87Å
61Y95Very high94.2Very high68 Ų6842.7 Ų42.727%0.26723%0.228SC..EExtended strand (participates in β ladder)trans-78.1115.4175-73.6-83000110.2M59 K63 C64 F65 A90 K121 V125M59-Y61 HydrophobicContact CE-CE1 4.48Å; M59-Y61 HydrophobicContact CE-CE2 4.08Å; Y61-K63 VanDerWaalsContact C-N 3.35Å; Y61-K63 PolarHBondContact O-N 2.98Å; Y61-C64 PolarHBondContact O-N 2.93Å; Y61-F65 WeakPolarHBondContact O-CB 3.3Å; Y61-F65 PolarHBondContact O-N 3.41Å; Y61-A90 HydrophobicContact CD1-CB 4.08Å; Y61-A90 HydrophobicContact CE1-CB 4.34Å; Y61-K121 PolarHBondContact OH-O 2.89Å; Y61-V125 HydrophobicContact CD1-CG2 4.5Å; Y61-V125 HydrophobicContact CE1-CG2 3.9Å
62A96.3Very high94.1Very high0 Ų043.7 Ų43.70%022%0.221CC..Hα-helixtrans-58.1-45.9-174.500000112I60 C64 F65 V66 F89 A90 A91 D96 A100I60-A62 PolarHBondContact O-N 3.4Å; A62-C64 PolarHBondContact O-N 3.41Å; A62-F65 WeakPolarHBondContact O-CB 3.35Å; A62-F65 PolarHBondContact O-N 2.98Å; A62-F65 VanDerWaalsContact O-N 3.1Å; A62-V66 WeakPolarHBondContact O-CG2 3.42Å; A62-V66 PolarHBondContact O-N 2.86Å; A62-F89 HydrophobicContact CB-CB 4.25Å; A62-F89 HydrophobicContact CB-CD1 4.29Å; A62-F89 HydrophobicContact CB-CG 4.45Å; A62-A90 PolarHBondContact N-O 3.09Å; A62-A91 HydrophobicContact CB-CB 3.81Å; A62-D96 HydrophobicContact CB-CB 4.07Å; A62-A100 HydrophobicContact CB-CB 4.08Å
63K94.8Very high93.7Very high111 Ų11149 Ų4948%0.48325%0.248SC..Hα-helixtrans-53.5-49.3177.6-174.3171.1-176168.40112.9Y61 F65 Q67Y61-K63 VanDerWaalsContact C-N 3.35Å; Y61-K63 PolarHBondContact O-N 2.98Å; K63-F65 VanDerWaalsContact C-N 3.35Å; K63-F65 PolarHBondContact O-N 3.11Å; K63-Q67 WeakPolarHBondContact O-CB 3.39Å; K63-Q67 WeakPolarHBondContact O-CG 3.33Å; K63-Q67 PolarHBondContact O-N 2.93Å; K63-Q67 VanDerWaalsContact O-N 3.09Å
64C93.4Very high93.2Very high60 Ų6048.7 Ų48.741%0.40526%0.257SS..Hα-helixtrans-66-39.1178.4-61.70000112Y61 A62 Q67 S68Y61-C64 PolarHBondContact O-N 2.93Å; A62-C64 PolarHBondContact O-N 3.41Å; C64-Q67 PolarHBondContact O-N 3.41Å; C64-S68 PolarHBondContact O-N 3.33Å; C64-S68 VanDerWaalsContact O-N 3.07Å
65F95.3Very high92.8Very high0 Ų051.6 Ų51.60%027%0.273CS..Hα-helixtrans-65.9-38.1-178.5-167.9-95.5000113.1I60 Y61 A62 K63 R72 F76 F89 A100 L103 V104I60-F65 HydrophobicContact CD1-CE2 4.49Å; I60-F65 HydrophobicContact CG2-CB 4.01Å; I60-F65 HydrophobicContact CG2-CD2 3.6Å; I60-F65 HydrophobicContact CG2-CE2 4.38Å; I60-F65 HydrophobicContact CG2-CG 4.09Å; Y61-F65 WeakPolarHBondContact O-CB 3.3Å; Y61-F65 PolarHBondContact O-N 3.41Å; A62-F65 WeakPolarHBondContact O-CB 3.35Å; A62-F65 PolarHBondContact O-N 2.98Å; A62-F65 VanDerWaalsContact O-N 3.1Å; K63-F65 VanDerWaalsContact C-N 3.35Å; K63-F65 PolarHBondContact O-N 3.11Å; F65-R72 HydrophobicContact CD2-CB 3.85Å; F65-R72 HydrophobicContact CD2-CG 4.08Å; F65-R72 HydrophobicContact CE1-CG 3.99Å; F65-R72 HydrophobicContact CE2-CB 3.73Å; F65-R72 HydrophobicContact CE2-CG 3.46Å; F65-R72 VanDerWaalsContact CE2-CG 3.46Å; F65-R72 HydrophobicContact CG-CB 4.33Å; F65-R72 HydrophobicContact CZ-CB 4.12Å; F65-R72 HydrophobicContact CZ-CG 3.41Å; F65-R72 VanDerWaalsContact CZ-CG 3.41Å; F65-R72 PolarHBondContact O-NH1 3.3Å; F65-R72 VanDerWaalsContact O-NH1 3.14Å; F65-F76 HydrophobicContact CE2-CB 3.57Å; F65-F76 HydrophobicContact CE2-CG 4.37Å; F65-F76 HydrophobicContact CZ-CB 4.02Å; F65-F76 HydrophobicContact CZ-CD1 4.39Å; F65-F76 HydrophobicContact CZ-CG 4.37Å; F65-F89 HydrophobicContact CB-CE1 4.37Å; F65-F89 AromaticContact CD1-CE1 3.93Å; F65-F89 HydrophobicContact CD1-CE1 3.93Å; F65-F89 HydrophobicContact CD1-CZ 4.17Å; F65-F89 HydrophobicContact CD2-CE1 4.33Å; F65-F89 HydrophobicContact CE1-CE1 4.24Å; F65-F89 HydrophobicContact CE1-CZ 4.11Å; F65-F89 AromaticContact CG-CE1 3.96Å; F65-F89 HydrophobicContact CG-CE1 3.96Å; F65-F89 HydrophobicContact CZ-CZ 4.49Å; F65-A100 HydrophobicContact CD1-CB 4.14Å; F65-L103 HydrophobicContact CD1-CD1 4.13Å; F65-L103 HydrophobicContact CE1-CB 3.97Å; F65-L103 HydrophobicContact CE1-CD1 4.21Å; F65-V104 HydrophobicContact CE1-CG1 3.71Å; F65-V104 HydrophobicContact CZ-CG1 3.56Å
66V95.8Very high92.7Very high39 Ų3952.4 Ų52.424%0.23628%0.276CS..Hα-helixtrans-72.3-43.8175.7172.60000110.7A62 K99 A100 L103A62-V66 WeakPolarHBondContact O-CG2 3.42Å; A62-V66 PolarHBondContact O-N 2.86Å; V66-K99 HydrophobicContact CG1-CB 4.12Å; V66-K99 HydrophobicContact CG1-CD 4.06Å; V66-K99 HydrophobicContact CG2-CB 3.72Å; V66-A100 HydrophobicContact CG2-CB 3.99Å; V66-L103 HydrophobicContact CG2-CD1 4.41Å
67Q94.3Very high92.4Very high139 Ų13955.1 Ų55.165%0.6530%0.295SS*.Hα-helixtrans-75.6-28.2-173.2-71.7177.2-11.800114.6K63 C64K63-Q67 WeakPolarHBondContact O-CB 3.39Å; K63-Q67 WeakPolarHBondContact O-CG 3.33Å; K63-Q67 PolarHBondContact O-N 2.93Å; K63-Q67 VanDerWaalsContact O-N 3.09Å; C64-Q67 PolarHBondContact O-N 3.41Å
68S92.5Very high92.2Very high45 Ų4556.5 Ų56.532%0.31530%0.304SS..  trans-134.3118.2-171.21760000112.3C64 L70 A71 R72C64-S68 PolarHBondContact O-N 3.33Å; C64-S68 VanDerWaalsContact O-N 3.07Å; S68-L70 VanDerWaalsContact C-N 3.27Å; S68-L70 PolarHBondContact O-N 3.29Å; S68-L70 PolarHBondContact OG-N 3.38Å; S68-A71 PolarHBondContact O-N 3.18Å; S68-A71 PolarHBondContact OG-N 3.48Å; S68-R72 PolarHBondContact O-N 2.87Å
69E91.2Very high91.9Very high126 Ų12658 Ų5859%0.58931%0.311SS*.Hα-helixtrans-60-38.4171.5-179.6172.5-163.200112A71 R72 L73E69-A71 VanDerWaalsContact C-N 3.35Å; E69-A71 PolarHBondContact O-N 3.48Å; E69-R72 WeakPolarHBondContact O-CB 3.47Å; E69-R72 PolarHBondContact O-N 3.48Å; E69-L73 HydrophobicContact CG-CD1 4.15Å; E69-L73 HydrophobicContact CG-CG 4.38Å; E69-L73 WeakPolarHBondContact O-CG 3.3Å; E69-L73 PolarHBondContact O-N 2.89Å
70L84.1Confident91.6Very high137 Ų13761.8 Ų61.872%0.71733%0.332SS*.Hα-helixtrans-63.5-40.7176.3-67.7175.7000111.8S68 R72 A74S68-L70 VanDerWaalsContact C-N 3.27Å; S68-L70 PolarHBondContact O-N 3.29Å; S68-L70 PolarHBondContact OG-N 3.38Å; L70-R72 VanDerWaalsContact C-N 3.34Å; L70-A74 VanDerWaalsContact O-CB 3.3Å; L70-A74 WeakPolarHBondContact O-CB 3.48Å; L70-A74 PolarHBondContact O-N 2.97Å
71A79.9Confident91.3Very high24 Ų2467.6 Ų67.620%0.19836%0.363CS..Hα-helixtrans-63.9-42.8174.600000110.8S68 E69 A74 D75S68-A71 PolarHBondContact O-N 3.18Å; S68-A71 PolarHBondContact OG-N 3.48Å; E69-A71 VanDerWaalsContact C-N 3.35Å; E69-A71 PolarHBondContact O-N 3.48Å; A71-A74 PolarHBondContact O-N 3.44Å; A71-D75 WeakPolarHBondContact O-CB 3.46Å; A71-D75 PolarHBondContact O-N 3.47Å
72R92Very high91.2Very high57 Ų5764.4 Ų64.422%0.21535%0.35CS..Hα-helixtrans-59.4-48.1176.1170.1163.672.7-1071.2112.9F65 S68 E69 L70 A74 D75 F76F65-R72 HydrophobicContact CD2-CB 3.85Å; F65-R72 HydrophobicContact CD2-CG 4.08Å; F65-R72 HydrophobicContact CE1-CG 3.99Å; F65-R72 HydrophobicContact CE2-CB 3.73Å; F65-R72 HydrophobicContact CE2-CG 3.46Å; F65-R72 VanDerWaalsContact CE2-CG 3.46Å; F65-R72 HydrophobicContact CG-CB 4.33Å; F65-R72 HydrophobicContact CZ-CB 4.12Å; F65-R72 HydrophobicContact CZ-CG 3.41Å; F65-R72 VanDerWaalsContact CZ-CG 3.41Å; F65-R72 PolarHBondContact O-NH1 3.3Å; F65-R72 VanDerWaalsContact O-NH1 3.14Å; S68-R72 PolarHBondContact O-N 2.87Å; E69-R72 WeakPolarHBondContact O-CB 3.47Å; E69-R72 PolarHBondContact O-N 3.48Å; L70-R72 VanDerWaalsContact C-N 3.34Å; R72-A74 VanDerWaalsContact C-N 3.27Å; R72-A74 PolarHBondContact O-N 2.96Å; R72-D75 PolarHBondContact O-N 3.33Å; R72-F76 PolarHBondContact O-N 3.37Å
73L88Confident91Very high119 Ų11965.8 Ų65.862%0.62336%0.36SS*.Hα-helixtrans-64.7-30.4176.9-69.1173.6000112.7E69E69-L73 HydrophobicContact CG-CD1 4.15Å; E69-L73 HydrophobicContact CG-CG 4.38Å; E69-L73 WeakPolarHBondContact O-CG 3.3Å; E69-L73 PolarHBondContact O-N 2.89Å
74A85.8Confident91.1Very high63 Ų6361.2 Ų61.252%0.52134%0.341SS..Hα-helixtrans-80.4-34.1178.900000113.7L70 A71 R72L70-A74 VanDerWaalsContact O-CB 3.3Å; L70-A74 WeakPolarHBondContact O-CB 3.48Å; L70-A74 PolarHBondContact O-N 2.97Å; A71-A74 PolarHBondContact O-N 3.44Å; R72-A74 VanDerWaalsContact C-N 3.27Å; R72-A74 PolarHBondContact O-N 2.96Å
75D88.4Confident91.2Very high61 Ų6158.3 Ų58.333%0.32632%0.322SS..Hα-helixtrans-95-28.4-173.2-76.2-23.9000113.7I60 A71 R72I60-D75 HydrophobicContact CD1-CB 4.28Å; I60-D75 HydrophobicContact CG1-CB 4.21Å; I60-D75 HydrophobicContact CG2-CB 4.02Å; A71-D75 WeakPolarHBondContact O-CB 3.46Å; A71-D75 PolarHBondContact O-N 3.47Å; R72-D75 PolarHBondContact O-N 3.33Å
76F94.3Very high91.4Very high16 Ų1658.3 Ų58.37%0.0732%0.322CS..  trans-124.1129.8-177.5-179.4-110.9000112.8T57 I60 F65 R72 T78 L85 V87 V104 Q107T57-F76 HydrophobicContact CG2-CD2 4.11Å; T57-F76 HydrophobicContact CG2-CE2 4.09Å; I60-F76 HydrophobicContact CD1-CB 4.03Å; I60-F76 HydrophobicContact CD1-CD2 4.47Å; F65-F76 HydrophobicContact CE2-CB 3.57Å; F65-F76 HydrophobicContact CE2-CG 4.37Å; F65-F76 HydrophobicContact CZ-CB 4.02Å; F65-F76 HydrophobicContact CZ-CD1 4.39Å; F65-F76 HydrophobicContact CZ-CG 4.37Å; R72-F76 PolarHBondContact O-N 3.37Å; F76-T78 HydrophobicContact CE1-CG2 4.17Å; F76-T78 HydrophobicContact CZ-CG2 3.8Å; F76-L85 HydrophobicContact CE2-CD2 4.09Å; F76-L85 HydrophobicContact CZ-CD2 4.47Å; F76-V87 HydrophobicContact CD2-CG1 4.43Å; F76-V87 HydrophobicContact CD2-CG2 4.24Å; F76-V87 HydrophobicContact CE2-CG2 3.57Å; F76-V87 HydrophobicContact CZ-CG2 4.19Å; F76-V104 HydrophobicContact CD1-CG1 4.15Å; F76-V104 HydrophobicContact CE1-CB 4.48Å; F76-V104 HydrophobicContact CE1-CG1 4.01Å; F76-V104 HydrophobicContact CZ-CB 4.46Å; F76-V104 HydrophobicContact CZ-CG1 4.28Å; F76-Q107 HydrophobicContact CE1-CB 4.06Å; F76-Q107 HydrophobicContact CZ-CB 4.01Å
77S92.5Very high91.5Very high57 Ų5756.5 Ų56.540%0.39931%0.31SS..  trans-148.1144.6172.267.30000108.5L41 R44L41-S77 WeakPolarHBondContact CB-OG 3.35Å; R44-S77 PolarHBondContact NH2-O 3.27Å
78T94.7Very high91.7Very high30 Ų3050 Ų5018%0.18428%0.28CS..  trans-153.3169.1176.5-167.40000110.2F76 D82 Q107F76-T78 HydrophobicContact CE1-CG2 4.17Å; F76-T78 HydrophobicContact CZ-CG2 3.8Å; T78-D82 WeakPolarHBondContact OG1-CB 3.36Å; T78-D82 PolarHBondContact OG1-OD2 3.42Å; T78-D82 VanDerWaalsContact OG1-OD2 3.06Å; T78-Q107 HydrophobicContact CG2-CB 3.92Å
79D90.5Very high91.9Very high40 Ų4047.8 Ų47.821%0.21427%0.265CS..  trans-139.5-174.917362.721000110.7L41 D81 D82 Y272L41-D79 HydrophobicContact CD2-CB 4.43Å; D79-D81 VanDerWaalsContact C-N 3.32Å; D79-D81 PolarHBondContact O-N 3.45Å; D79-D81 PolarHBondContact OD1-N 3.28Å; D79-D82 PolarHBondContact O-N 2.95Å; D79-D82 WeakPolarHBondContact OD1-CB 3.45Å; D79-D82 PolarHBondContact OD1-N 2.93Å; D79-Y272 WeakPolarHBondContact OD2-CE1 3.26Å; D79-Y272 VanDerWaalsContact OD2-CZ 3.31Å; D79-Y272 PolarHBondContact OD2-OH 3.26Å
80L89.4Confident92.2Very high103 Ų10341.9 Ų41.954%0.53924%0.238SC..SBendtrans-68.5-29-177.6-67.2173.4000113.2V11V11-L80 HydrophobicContact CG1-CD1 4.24Å
81D89.2Confident92.7Very high124 Ų12435.5 Ų35.566%0.66320%0.204SC*.SBendtrans-83.4-14.5-178.2-64.7-37.2000112.4D79 C83D79-D81 VanDerWaalsContact C-N 3.32Å; D79-D81 PolarHBondContact O-N 3.45Å; D79-D81 PolarHBondContact OD1-N 3.28Å; D81-C83 PolarHBondContact O-N 3.16Å
82D93.4Very high93.4Very high2 Ų236.5 Ų36.51%0.01121%0.206CC..  trans-83.357.9178.8-170.928.3000112.7R13 L41 R44 R48 T78 D79 L85R13-D82 PolarHBondContact NH2-O 2.96Å; L41-D82 HydrophobicContact CD1-CB 3.81Å; R44-D82 IonicContact CZ-OD2 2.9Å; R44-D82 IonicContact NE-OD1 3.54Å; R44-D82 PolarHBondContact NE-OD1 3.15Å; R44-D82 IonicContact NE-OD2 3.88Å; R44-D82 PolarHBondContact NE-OD2 3.26Å; R44-D82 IonicContact NH2-OD2 3.96Å; R44-D82 PolarHBondContact NH2-OD2 2.96Å; R48-D82 IonicContact CZ-OD1 3.76Å; R48-D82 IonicContact NE-OD1 2.77Å; R48-D82 PolarHBondContact NE-OD1 3.46Å; R48-D82 IonicContact NH2-OD1 2.72Å; R48-D82 PolarHBondContact NH2-OD1 2.88Å; T78-D82 WeakPolarHBondContact OG1-CB 3.36Å; T78-D82 PolarHBondContact OG1-OD2 3.42Å; T78-D82 VanDerWaalsContact OG1-OD2 3.06Å; D79-D82 PolarHBondContact O-N 2.95Å; D79-D82 WeakPolarHBondContact OD1-CB 3.45Å; D79-D82 PolarHBondContact OD1-N 2.93Å; D82-L85 WeakPolarHBondContact O-CB 3.3Å; D82-L85 WeakPolarHBondContact OD2-CD2 3.4Å
83C92.6Very high93.6Very high29 Ų2936 Ų3620%0.19621%0.208CC..  trans-131.9137.3179.6-179.70000110.9R48 D81 E109R48-C83 PolarHBondContact NH1-O 3.41Å; R48-C83 VanDerWaalsContact NH1-O 3.08Å; D81-C83 PolarHBondContact O-N 3.16Å; C83-E109 PolarHBondContact SG-OE1 3.21Å
84P94.9Very high94Very high14 Ų1430.6 Ų30.69%0.09118%0.18CC..SBendcis-80.1139.8-531.3-35.3000112.9V16 L21 R48 Q53 L54 C55 E109V16-P84 HydrophobicContact CB-CB 4.32Å; V16-P84 HydrophobicContact CG1-CB 4.42Å; L21-P84 HydrophobicContact CD2-CG 3.76Å; R48-P84 PolarHBondContact NH1-O 3.36Å; R48-P84 PolarHBondContact NH2-O 3.48Å; Q53-P84 VanDerWaalsContact O-CD 3.26Å; Q53-P84 WeakPolarHBondContact O-CD 3.45Å; Q53-P84 VanDerWaalsContact O-CG 3.25Å; Q53-P84 WeakPolarHBondContact O-CG 3.49Å; L54-P84 HydrophobicContact CD1-CB 4.01Å; L54-P84 HydrophobicContact CD1-CG 3.88Å; C55-P84 PolarHBondContact N-O 3.03Å; P84-E109 WeakPolarHBondContact CA-OE2 3.15Å; P84-E109 HydrophobicContact CB-CG 4.19Å
85L97Very high94.5Very high0 Ų030.1 Ų30.10%017%0.169CC..EExtended strand (participates in β ladder)trans-122.8136.5-176.8178.168.7000110.9T57 F76 D82 C108 E109T57-L85 HydrophobicContact CG2-CD1 3.93Å; T57-L85 HydrophobicContact CG2-CD2 4.34Å; T57-L85 HydrophobicContact CG2-CG 4.35Å; F76-L85 HydrophobicContact CE2-CD2 4.09Å; F76-L85 HydrophobicContact CZ-CD2 4.47Å; D82-L85 WeakPolarHBondContact O-CB 3.3Å; D82-L85 WeakPolarHBondContact OD2-CD2 3.4Å; L85-C108 HydrophobicContact CB-CB 4.29Å; L85-C108 HydrophobicContact CD2-CB 4.23Å; L85-C108 HydrophobicContact CG-CB 4.28Å; L85-C108 WeakPolarHBondContact O-CB 3.4Å; L85-E109 PolarHBondContact N-OE2 3.21Å; L85-E109 PolarHBondContact O-N 2.79Å
86I97.9Very high94.9Very high0 Ų028.2 Ų28.20%016%0.159CC..EExtended strand (participates in β ladder)trans-113.9128.9169.3-57.6-63.9000109.7V18 L54 C55 F56 T57 G110 D112 S155 F183V18-I86 HydrophobicContact CG1-CD1 4.48Å; V18-I86 HydrophobicContact CG2-CD1 4.09Å; L54-I86 HydrophobicContact CD1-CG1 3.98Å; C55-I86 PolarHBondContact O-N 2.94Å; F56-I86 VanDerWaalsContact CA-O 3.31Å; F56-I86 WeakPolarHBondContact CA-O 3.35Å; F56-I86 HydrophobicContact CD1-CB 3.87Å; F56-I86 HydrophobicContact CD1-CG2 3.78Å; F56-I86 HydrophobicContact CD2-CB 4.35Å; F56-I86 HydrophobicContact CE1-CB 3.75Å; F56-I86 HydrophobicContact CE1-CG1 4.34Å; F56-I86 HydrophobicContact CE1-CG2 3.45Å; F56-I86 VanDerWaalsContact CE1-CG2 3.45Å; F56-I86 HydrophobicContact CE2-CB 4.21Å; F56-I86 HydrophobicContact CE2-CG1 4.23Å; F56-I86 HydrophobicContact CG-CB 4.18Å; F56-I86 HydrophobicContact CZ-CB 3.91Å; F56-I86 HydrophobicContact CZ-CG1 4.01Å; F56-I86 HydrophobicContact CZ-CG2 3.97Å; T57-I86 PolarHBondContact N-O 2.86Å; I86-G110 WeakPolarHBondContact CA-O 3.21Å; I86-D112 HydrophobicContact CG2-CB 3.61Å; I86-S155 WeakPolarHBondContact CD1-OG 3.24Å; I86-F183 HydrophobicContact CD1-CE1 4.36Å; I86-F183 HydrophobicContact CD1-CZ 4.35Å; I86-F183 HydrophobicContact CG1-CZ 4.24Å
87V98.1Very high95.1Very high0 Ų027.5 Ų27.50%016%0.156CC..EExtended strand (participates in β ladder)trans-92.6115.9177.1-174.40000109.8T57 I60 F76 F89 V104 C108 G110 V111 D112T57-V87 HydrophobicContact CG2-CB 4.25Å; T57-V87 HydrophobicContact CG2-CG1 4.19Å; T57-V87 HydrophobicContact CG2-CG2 3.95Å; T57-V87 WeakPolarHBondContact OG1-CA 3.36Å; I60-V87 HydrophobicContact CD1-CG1 4.14Å; F76-V87 HydrophobicContact CD2-CG1 4.43Å; F76-V87 HydrophobicContact CD2-CG2 4.24Å; F76-V87 HydrophobicContact CE2-CG2 3.57Å; F76-V87 HydrophobicContact CZ-CG2 4.19Å; V87-F89 HydrophobicContact CB-CE2 4.16Å; V87-F89 HydrophobicContact CB-CZ 4.43Å; V87-F89 HydrophobicContact CG1-CD2 4.28Å; V87-F89 HydrophobicContact CG1-CE1 4.03Å; V87-F89 HydrophobicContact CG1-CE2 3.64Å; V87-F89 HydrophobicContact CG1-CZ 3.5Å; V87-F89 VanDerWaalsContact CG1-CZ 3.5Å; V87-V104 HydrophobicContact CB-CG2 4.27Å; V87-V104 HydrophobicContact CG2-CB 4.32Å; V87-V104 HydrophobicContact CG2-CG2 4.13Å; V87-C108 HydrophobicContact CG2-CB 3.85Å; V87-G110 PolarHBondContact N-O 3.4Å; V87-V111 CarbonylContact O-C 3.46Å; V87-V111 VanDerWaalsContact O-CA 3.28Å; V87-V111 WeakPolarHBondContact O-CA 3.47Å; V87-D112 PolarHBondContact O-N 2.96Å
88Q98.4Very high95.3Very high2 Ų224.8 Ų24.81%0.00914%0.137CC..EExtended strand (participates in β ladder)trans-89.2121.2178.9-174.4177.580.500111.6P34 T57 I60 D112 N114P34-Q88 HydrophobicContact CB-CB 4.17Å; P34-Q88 HydrophobicContact CB-CG 4.49Å; P34-Q88 VanDerWaalsContact CG-CD 3.44Å; P34-Q88 VanDerWaalsContact CG-NE2 3.31Å; P34-Q88 VanDerWaalsContact CG-OE1 3.25Å; T57-Q88 PolarHBondContact OG1-N 2.91Å; I60-Q88 PolarHBondContact N-O 3.49Å; Q88-D112 CarbonylContact C-O 3.46Å; Q88-D112 WeakPolarHBondContact CA-O 3.5Å; Q88-D112 HydrophobicContact CB-CB 4.21Å; Q88-D112 HydrophobicContact CG-CB 4.23Å; Q88-D112 WeakPolarHBondContact CG-OD2 3.31Å; Q88-D112 PolarHBondContact NE2-OD2 2.9Å; Q88-N114 HydrophobicContact CG-CB 4Å; Q88-N114 PolarHBondContact OE1-ND2 3.24Å
89F97.8Very high95.4Very high0 Ų027 Ų270%014%0.144CC..EExtended strand (participates in β ladder)trans-107.1148.9173.9-67.5-67.6000112.6I60 A62 F65 V87 F97 A100 V104 V111 D112 N114I60-F89 HydrophobicContact CB-CD1 3.91Å; I60-F89 HydrophobicContact CB-CE1 4.05Å; I60-F89 HydrophobicContact CG2-CD1 4.08Å; I60-F89 HydrophobicContact CG2-CE1 3.94Å; I60-F89 CarbonylContact O-C 3.51Å; I60-F89 VanDerWaalsContact O-CA 3.23Å; I60-F89 WeakPolarHBondContact O-CA 3.39Å; A62-F89 HydrophobicContact CB-CB 4.25Å; A62-F89 HydrophobicContact CB-CD1 4.29Å; A62-F89 HydrophobicContact CB-CG 4.45Å; F65-F89 HydrophobicContact CB-CE1 4.37Å; F65-F89 AromaticContact CD1-CE1 3.93Å; F65-F89 HydrophobicContact CD1-CE1 3.93Å; F65-F89 HydrophobicContact CD1-CZ 4.17Å; F65-F89 HydrophobicContact CD2-CE1 4.33Å; F65-F89 HydrophobicContact CE1-CE1 4.24Å; F65-F89 HydrophobicContact CE1-CZ 4.11Å; F65-F89 AromaticContact CG-CE1 3.96Å; F65-F89 HydrophobicContact CG-CE1 3.96Å; F65-F89 HydrophobicContact CZ-CZ 4.49Å; V87-F89 HydrophobicContact CB-CE2 4.16Å; V87-F89 HydrophobicContact CB-CZ 4.43Å; V87-F89 HydrophobicContact CG1-CD2 4.28Å; V87-F89 HydrophobicContact CG1-CE1 4.03Å; V87-F89 HydrophobicContact CG1-CE2 3.64Å; V87-F89 HydrophobicContact CG1-CZ 3.5Å; V87-F89 VanDerWaalsContact CG1-CZ 3.5Å; F89-F97 HydrophobicContact CB-CD2 3.89Å; F89-F97 HydrophobicContact CB-CE2 3.97Å; F89-F97 HydrophobicContact CD2-CD2 4.41Å; F89-F97 HydrophobicContact CD2-CE2 4.25Å; F89-A100 HydrophobicContact CD1-CB 4.05Å; F89-A100 HydrophobicContact CD2-CB 4.14Å; F89-A100 HydrophobicContact CE1-CB 3.77Å; F89-A100 HydrophobicContact CE2-CB 3.84Å; F89-A100 HydrophobicContact CG-CB 4.24Å; F89-A100 HydrophobicContact CZ-CB 3.65Å; F89-V104 HydrophobicContact CE2-CG2 4.09Å; F89-V104 HydrophobicContact CZ-CG1 4.19Å; F89-V104 HydrophobicContact CZ-CG2 4.23Å; F89-V111 HydrophobicContact CD2-CB 4.3Å; F89-V111 HydrophobicContact CD2-CG1 4.03Å; F89-V111 HydrophobicContact CE2-CB 4.5Å; F89-V111 HydrophobicContact CE2-CG1 3.74Å; F89-D112 PolarHBondContact N-O 3.08Å; F89-N114 PolarHBondContact O-N 2.92Å
90A96.6Very high95.7Very high2 Ų225.1 Ų25.12%0.01713%0.134CC..EExtended strand (participates in β ladder)trans-105.8120.2161.400000108.1M59 I60 Y61 A62 C127M59-A90 HydrophobicContact CE-CB 4.33Å; M59-A90 HydrophobicContact CG-CB 3.92Å; M59-A90 HydrophobicContact SD-CB 3.98Å; I60-A90 PolarHBondContact O-N 2.87Å; Y61-A90 HydrophobicContact CD1-CB 4.08Å; Y61-A90 HydrophobicContact CE1-CB 4.34Å; A62-A90 PolarHBondContact N-O 3.09Å; A90-C127 HydrophobicContact CB-CB 4.23Å
91A96.1Very high96.1Very high2 Ų220.2 Ų20.22%0.01711%0.108CC..  trans-144.5150.3-179.600000109.5A62 F97 L113 M141A62-A91 HydrophobicContact CB-CB 3.81Å; A91-F97 HydrophobicContact CB-CB 3.94Å; A91-F97 HydrophobicContact CB-CD2 4.38Å; A91-L113 HydrophobicContact CB-CD1 4.1Å; A91-M141 HydrophobicContact CB-CE 4.42Å
92D93.7Very high96.4Very high45 Ų4519.1 Ų19.124%0.24110%0.099CC..SBendtrans-108.6-4.217563.8-13.8000112.4H137D92-H137 PolarHBondContact O-NE2 3.06Å
93N95.5Very high96.4Very high47 Ų4722.3 Ų22.325%0.25112%0.116SC..SBendtrans-144.4154.3-18070.984.9000111.1D95 D96N93-D95 VanDerWaalsContact C-N 3.34Å; N93-D95 WeakPolarHBondContact OD1-CB 3.26Å; N93-D95 PolarHBondContact OD1-N 3.47Å; N93-D95 VanDerWaalsContact OD1-N 3.17Å; N93-D96 PolarHBondContact ND2-OD2 3.09Å; N93-D96 PolarHBondContact OD1-N 3.47Å
94A96.3Very high96.5Very high5 Ų520.9 Ų20.94%0.04111%0.106CC..Hα-helixtrans-70.1-30.5-177.300000113F97 V98 M141 E144A94-F97 PolarHBondContact O-N 3.42Å; A94-V98 WeakPolarHBondContact O-CB 3.23Å; A94-V98 VanDerWaalsContact O-CG2 3.26Å; A94-V98 WeakPolarHBondContact O-CG2 3.43Å; A94-V98 PolarHBondContact O-N 3.42Å; A94-M141 HydrophobicContact CB-CB 4.49Å; A94-E144 HydrophobicContact CB-CB 3.91Å; A94-E144 VanDerWaalsContact CB-CD 3.45Å; A94-E144 HydrophobicContact CB-CG 4.08Å; A94-E144 WeakPolarHBondContact CB-OE2 3.31Å
95D97Very high96.4Very high53 Ų5322.7 Ų22.728%0.28312%0.119SC..Hα-helixtrans-65.4-49.2-175.2-171.453.7000112.4N93 F97 V98 K99 R148N93-D95 VanDerWaalsContact C-N 3.34Å; N93-D95 WeakPolarHBondContact OD1-CB 3.26Å; N93-D95 PolarHBondContact OD1-N 3.47Å; N93-D95 VanDerWaalsContact OD1-N 3.17Å; D95-F97 VanDerWaalsContact C-N 3.32Å; D95-F97 PolarHBondContact O-N 3.17Å; D95-V98 PolarHBondContact O-N 3.04Å; D95-K99 WeakPolarHBondContact O-CB 3.42Å; D95-K99 VanDerWaalsContact O-CG 3.27Å; D95-K99 WeakPolarHBondContact O-CG 3.25Å; D95-K99 PolarHBondContact O-N 3.04Å; D95-K99 VanDerWaalsContact OD1-CE 3.3Å; D95-K99 WeakPolarHBondContact OD1-CE 3.31Å; D95-K99 IonicContact OD1-NZ 2.77Å; D95-K99 VanDerWaalsContact OD2-CE 3.27Å; D95-K99 WeakPolarHBondContact OD2-CE 3.38Å; D95-K99 IonicContact OD2-NZ 2.61Å; D95-K99 PolarHBondContact OD2-NZ 3.44Å; D95-R148 IonicContact OD1-CZ 3.21Å; D95-R148 IonicContact OD1-NH1 2.84Å; D95-R148 PolarHBondContact OD1-NH1 3.36Å; D95-R148 IonicContact OD1-NH2 2.77Å; D95-R148 PolarHBondContact OD1-NH2 3.48Å
96D96.9Very high96.1Very high21 Ų2128.2 Ų28.211%0.11215%0.153CC..Hα-helixtrans-62.7-39.9174.7-76-29.3000111.4A62 N93 A100A62-D96 HydrophobicContact CB-CB 4.07Å; N93-D96 PolarHBondContact ND2-OD2 3.09Å; N93-D96 PolarHBondContact OD1-N 3.47Å; D96-A100 WeakPolarHBondContact O-CB 3.41Å; D96-A100 PolarHBondContact O-N 3.41Å
97F97.6Very high95.8Very high1 Ų131.9 Ų31.90%0.00417%0.17CC..Hα-helixtrans-65.9-45179.7-174.8-108.2000112.2F89 A91 A94 D95 A100 A101 V111 L113 S145 I156F89-F97 HydrophobicContact CB-CD2 3.89Å; F89-F97 HydrophobicContact CB-CE2 3.97Å; F89-F97 HydrophobicContact CD2-CD2 4.41Å; F89-F97 HydrophobicContact CD2-CE2 4.25Å; A91-F97 HydrophobicContact CB-CB 3.94Å; A91-F97 HydrophobicContact CB-CD2 4.38Å; A94-F97 PolarHBondContact O-N 3.42Å; D95-F97 VanDerWaalsContact C-N 3.32Å; D95-F97 PolarHBondContact O-N 3.17Å; F97-A100 PolarHBondContact O-N 3.41Å; F97-A101 WeakPolarHBondContact O-CB 3.43Å; F97-A101 PolarHBondContact O-N 3.31Å; F97-V111 HydrophobicContact CE1-CG2 3.91Å; F97-V111 HydrophobicContact CE2-CB 4.36Å; F97-V111 HydrophobicContact CE2-CG2 4.32Å; F97-V111 HydrophobicContact CZ-CB 4.02Å; F97-V111 HydrophobicContact CZ-CG2 3.55Å; F97-L113 HydrophobicContact CD2-CD1 3.93Å; F97-L113 HydrophobicContact CE2-CB 3.96Å; F97-L113 HydrophobicContact CE2-CD1 4.04Å; F97-L113 HydrophobicContact CZ-CB 4.06Å; F97-S145 WeakPolarHBondContact CD1-OG 3.48Å; F97-I156 HydrophobicContact CE1-CG2 4.03Å; F97-I156 HydrophobicContact CZ-CG2 4.36Å
98V97.3Very high95.7Very high0 Ų032.2 Ų32.20%017%0.173CC..Hα-helixtrans-65.6-47.7177.5170.30000111A94 D95 A100 A101 E102 R148 L149A94-V98 WeakPolarHBondContact O-CB 3.23Å; A94-V98 VanDerWaalsContact O-CG2 3.26Å; A94-V98 WeakPolarHBondContact O-CG2 3.43Å; A94-V98 PolarHBondContact O-N 3.42Å; D95-V98 PolarHBondContact O-N 3.04Å; V98-A100 VanDerWaalsContact C-N 3.29Å; V98-A100 PolarHBondContact O-N 2.96Å; V98-A101 WeakPolarHBondContact O-CB 3.21Å; V98-A101 PolarHBondContact O-N 2.71Å; V98-A101 VanDerWaalsContact O-N 3.09Å; V98-E102 HydrophobicContact CG1-CG 4.4Å; V98-E102 WeakPolarHBondContact O-CG 3.11Å; V98-E102 PolarHBondContact O-N 3.22Å; V98-R148 HydrophobicContact CG1-CB 3.88Å; V98-R148 HydrophobicContact CG2-CB 4.04Å; V98-L149 HydrophobicContact CG1-CD2 4.19Å; V98-L149 HydrophobicContact CG1-CG 4.42Å
99K97Very high95.5Very high78 Ų7832.8 Ų32.834%0.33918%0.175SC..Hα-helixtrans-60-41.6177.5-73.9171.6177.3169.80111.6V66 D95 A101 E102 L103V66-K99 HydrophobicContact CG1-CB 4.12Å; V66-K99 HydrophobicContact CG1-CD 4.06Å; V66-K99 HydrophobicContact CG2-CB 3.72Å; D95-K99 WeakPolarHBondContact O-CB 3.42Å; D95-K99 VanDerWaalsContact O-CG 3.27Å; D95-K99 WeakPolarHBondContact O-CG 3.25Å; D95-K99 PolarHBondContact O-N 3.04Å; D95-K99 VanDerWaalsContact OD1-CE 3.3Å; D95-K99 WeakPolarHBondContact OD1-CE 3.31Å; D95-K99 IonicContact OD1-NZ 2.77Å; D95-K99 VanDerWaalsContact OD2-CE 3.27Å; D95-K99 WeakPolarHBondContact OD2-CE 3.38Å; D95-K99 IonicContact OD2-NZ 2.61Å; D95-K99 PolarHBondContact OD2-NZ 3.44Å; K99-A101 VanDerWaalsContact C-N 3.34Å; K99-E102 PolarHBondContact O-N 2.96Å; K99-L103 VanDerWaalsContact O-CG 3.3Å; K99-L103 WeakPolarHBondContact O-CG 3.1Å; K99-L103 PolarHBondContact O-N 3.49Å; K99-L103 VanDerWaalsContact O-N 3.16Å
100A97.2Very high95.4Very high0 Ų032.8 Ų32.80%018%0.175CC..Hα-helixtrans-64.4-39.3175.500000111.9A62 F65 V66 F89 D96 F97 V98 L103 V104A62-A100 HydrophobicContact CB-CB 4.08Å; F65-A100 HydrophobicContact CD1-CB 4.14Å; V66-A100 HydrophobicContact CG2-CB 3.99Å; F89-A100 HydrophobicContact CD1-CB 4.05Å; F89-A100 HydrophobicContact CD2-CB 4.14Å; F89-A100 HydrophobicContact CE1-CB 3.77Å; F89-A100 HydrophobicContact CE2-CB 3.84Å; F89-A100 HydrophobicContact CG-CB 4.24Å; F89-A100 HydrophobicContact CZ-CB 3.65Å; D96-A100 WeakPolarHBondContact O-CB 3.41Å; D96-A100 PolarHBondContact O-N 3.41Å; F97-A100 PolarHBondContact O-N 3.41Å; V98-A100 VanDerWaalsContact C-N 3.29Å; V98-A100 PolarHBondContact O-N 2.96Å; A100-L103 PolarHBondContact O-N 2.89Å; A100-V104 PolarHBondContact O-N 3.04Å
101A96.9Very high95.5Very high0 Ų032.7 Ų32.70%017%0.174CC..Hα-helixtrans-64.5-43.5175.900000112.6F97 V98 K99 L103 V104 S105 V111 L149 F154F97-A101 WeakPolarHBondContact O-CB 3.43Å; F97-A101 PolarHBondContact O-N 3.31Å; V98-A101 WeakPolarHBondContact O-CB 3.21Å; V98-A101 PolarHBondContact O-N 2.71Å; V98-A101 VanDerWaalsContact O-N 3.09Å; K99-A101 VanDerWaalsContact C-N 3.34Å; A101-L103 VanDerWaalsContact C-N 3.3Å; A101-L103 PolarHBondContact O-N 3.11Å; A101-V104 WeakPolarHBondContact O-CG2 3.35Å; A101-V104 PolarHBondContact O-N 3.08Å; A101-S105 WeakPolarHBondContact O-CA 3.23Å; A101-S105 WeakPolarHBondContact O-CB 3.32Å; A101-S105 PolarHBondContact O-N 3.46Å; A101-V111 HydrophobicContact CB-CB 4.4Å; A101-V111 HydrophobicContact CB-CG1 3.7Å; A101-V111 HydrophobicContact CB-CG2 3.94Å; A101-L149 HydrophobicContact CB-CD1 3.86Å; A101-L149 HydrophobicContact CB-CD2 4.02Å; A101-F154 HydrophobicContact CB-CE1 4.23Å
102E95.2Very high95.6Very high101 Ų10132.6 Ų32.647%0.47217%0.173SC..Hα-helixtrans-58-43.8175.4-72.3171167.100111.2V98 K99 V104 S105 L149V98-E102 HydrophobicContact CG1-CG 4.4Å; V98-E102 WeakPolarHBondContact O-CG 3.11Å; V98-E102 PolarHBondContact O-N 3.22Å; K99-E102 PolarHBondContact O-N 2.96Å; E102-V104 VanDerWaalsContact C-N 3.25Å; E102-V104 PolarHBondContact O-N 3.41Å; E102-S105 PolarHBondContact O-N 2.99Å; E102-S105 PolarHBondContact O-OG 3.38Å; E102-L149 HydrophobicContact CG-CD2 3.99Å
103L95.2Very high95.8Very high68 Ų6830.5 Ų30.536%0.35616%0.162SC..Hα-helixtrans-63.2-23.6179.5-73.3171000114.5F65 V66 K99 A100 A101F65-L103 HydrophobicContact CD1-CD1 4.13Å; F65-L103 HydrophobicContact CE1-CB 3.97Å; F65-L103 HydrophobicContact CE1-CD1 4.21Å; V66-L103 HydrophobicContact CG2-CD1 4.41Å; K99-L103 VanDerWaalsContact O-CG 3.3Å; K99-L103 WeakPolarHBondContact O-CG 3.1Å; K99-L103 PolarHBondContact O-N 3.49Å; K99-L103 VanDerWaalsContact O-N 3.16Å; A100-L103 PolarHBondContact O-N 2.89Å; A101-L103 VanDerWaalsContact C-N 3.3Å; A101-L103 PolarHBondContact O-N 3.11Å
104V94.6Very high95.9Very high0 Ų028.9 Ų28.90%015%0.154CC..Hα-helixtrans-111-4.8179.8-59.70000113.6F65 F76 V87 F89 A100 A101 E102 T106 Q107 C108 V111F65-V104 HydrophobicContact CE1-CG1 3.71Å; F65-V104 HydrophobicContact CZ-CG1 3.56Å; F76-V104 HydrophobicContact CD1-CG1 4.15Å; F76-V104 HydrophobicContact CE1-CB 4.48Å; F76-V104 HydrophobicContact CE1-CG1 4.01Å; F76-V104 HydrophobicContact CZ-CB 4.46Å; F76-V104 HydrophobicContact CZ-CG1 4.28Å; V87-V104 HydrophobicContact CB-CG2 4.27Å; V87-V104 HydrophobicContact CG2-CB 4.32Å; V87-V104 HydrophobicContact CG2-CG2 4.13Å; F89-V104 HydrophobicContact CE2-CG2 4.09Å; F89-V104 HydrophobicContact CZ-CG1 4.19Å; F89-V104 HydrophobicContact CZ-CG2 4.23Å; A100-V104 PolarHBondContact O-N 3.04Å; A101-V104 WeakPolarHBondContact O-CG2 3.35Å; A101-V104 PolarHBondContact O-N 3.08Å; E102-V104 VanDerWaalsContact C-N 3.25Å; E102-V104 PolarHBondContact O-N 3.41Å; V104-T106 PolarHBondContact O-N 2.92Å; V104-Q107 WeakPolarHBondContact O-CA 3.4Å; V104-Q107 PolarHBondContact O-N 2.99Å; V104-C108 PolarHBondContact O-N 3.43Å; V104-C108 PolarHBondContact O-SG 3.22Å; V104-V111 HydrophobicContact CG2-CG1 4.01Å
105S92.7Very high95.8Very high51 Ų5128.6 Ų28.636%0.35715%0.152SC..THydrogen-bonded Turntrans-57.7-26.4-169.1610000115.1A101 E102A101-S105 WeakPolarHBondContact O-CA 3.23Å; A101-S105 WeakPolarHBondContact O-CB 3.32Å; A101-S105 PolarHBondContact O-N 3.46Å; E102-S105 PolarHBondContact O-N 2.99Å; E102-S105 PolarHBondContact O-OG 3.38Å
106T89.9Confident95.4Very high117 Ų11726.5 Ų26.572%0.71814%0.143SC*.THydrogen-bonded Turntrans-87.4-7.2177.2580000113.5V104V104-T106 PolarHBondContact O-N 2.92Å
107Q92.6Very high95.1Very high77 Ų7726.7 Ų26.736%0.3615%0.145SC..SBendtrans-119.11.8-170.2-58.7-175.6-93.800113.2R13 F76 T78 V104R13-Q107 PolarHBondContact NH1-O 3.31Å; F76-Q107 HydrophobicContact CE1-CB 4.06Å; F76-Q107 HydrophobicContact CZ-CB 4.01Å; T78-Q107 HydrophobicContact CG2-CB 3.92Å; V104-Q107 WeakPolarHBondContact O-CA 3.4Å; V104-Q107 PolarHBondContact O-N 2.99Å
108C94.6Very high94.5Very high7 Ų728.4 Ų28.45%0.04716%0.156CC..SBendtrans-157.6167.6179.765.70000111.6L85 V87 V104 G110 F154L85-C108 HydrophobicContact CB-CB 4.29Å; L85-C108 HydrophobicContact CD2-CB 4.23Å; L85-C108 HydrophobicContact CG-CB 4.28Å; L85-C108 WeakPolarHBondContact O-CB 3.4Å; V87-C108 HydrophobicContact CG2-CB 3.85Å; V104-C108 PolarHBondContact O-N 3.43Å; V104-C108 PolarHBondContact O-SG 3.22Å; C108-G110 PolarHBondContact SG-O 2.96Å; C108-F154 WeakPolarHBondContact O-CE2 3.41Å
109E94.6Very high94Very high13 Ų1335.2 Ų35.26%0.06119%0.186CC..SBendtrans-91.9-6-179.1-68.963.5-137.400112.8R13 V16 V18 C83 P84 L85 S155R13-E109 IonicContact CZ-OE1 2.63Å; R13-E109 IonicContact CZ-OE2 3.95Å; R13-E109 IonicContact NE-OE1 3.94Å; R13-E109 PolarHBondContact NE-OE1 3.4Å; R13-E109 IonicContact NE-OE2 3.65Å; R13-E109 IonicContact NH2-OE1 2.96Å; R13-E109 PolarHBondContact NH2-OE1 3.45Å; R13-E109 VanDerWaalsContact NH2-OE1 3.11Å; R13-E109 IonicContact NH2-OE2 2.92Å; R13-E109 PolarHBondContact NH2-OE2 3.35Å; V16-E109 HydrophobicContact CB-CG 4.32Å; V16-E109 WeakPolarHBondContact O-CG 3.3Å; V18-E109 HydrophobicContact CG2-CB 3.66Å; V18-E109 HydrophobicContact CG2-CG 4.48Å; C83-E109 PolarHBondContact SG-OE1 3.21Å; P84-E109 WeakPolarHBondContact CA-OE2 3.15Å; P84-E109 HydrophobicContact CB-CG 4.19Å; L85-E109 PolarHBondContact N-OE2 3.21Å; L85-E109 PolarHBondContact O-N 2.79Å; E109-S155 PolarHBondContact O-N 3.36Å; E109-S155 PolarHBondContact O-OG 2.81Å
110G96.1Very high93.2Very high0 Ų040.9 Ų40.90%021%0.205CC..EExtended strand (participates in β ladder)trans173.4179.8175.500000115.7I86 V87 C108 S155I86-G110 WeakPolarHBondContact CA-O 3.21Å; V87-G110 PolarHBondContact N-O 3.4Å; C108-G110 PolarHBondContact SG-O 2.96Å; G110-S155 CarbonylContact C-O 3.56Å; G110-S155 WeakPolarHBondContact CA-O 3.4Å; G110-S155 WeakPolarHBondContact CA-OG 3.43Å
111V97.9Very high92.3Very high0 Ų048.5 Ų48.50%024%0.238CC..EExtended strand (participates in β ladder)trans-122.2148.4178.3-680000111.8V87 F89 F97 A101 V104 F154 S155 I156 S157V87-V111 CarbonylContact O-C 3.46Å; V87-V111 VanDerWaalsContact O-CA 3.28Å; V87-V111 WeakPolarHBondContact O-CA 3.47Å; F89-V111 HydrophobicContact CD2-CB 4.3Å; F89-V111 HydrophobicContact CD2-CG1 4.03Å; F89-V111 HydrophobicContact CE2-CB 4.5Å; F89-V111 HydrophobicContact CE2-CG1 3.74Å; F97-V111 HydrophobicContact CE1-CG2 3.91Å; F97-V111 HydrophobicContact CE2-CB 4.36Å; F97-V111 HydrophobicContact CE2-CG2 4.32Å; F97-V111 HydrophobicContact CZ-CB 4.02Å; F97-V111 HydrophobicContact CZ-CG2 3.55Å; A101-V111 HydrophobicContact CB-CB 4.4Å; A101-V111 HydrophobicContact CB-CG1 3.7Å; A101-V111 HydrophobicContact CB-CG2 3.94Å; V104-V111 HydrophobicContact CG2-CG1 4.01Å; V111-F154 HydrophobicContact CB-CE1 4.39Å; V111-F154 HydrophobicContact CG1-CE1 3.88Å; V111-F154 HydrophobicContact CG1-CZ 3.92Å; V111-F154 HydrophobicContact CG2-CE1 3.92Å; V111-S155 PolarHBondContact N-O 3.43Å; V111-I156 HydrophobicContact CG2-CG1 4.38Å; V111-I156 WeakPolarHBondContact O-CA 3.11Å; V111-S157 PolarHBondContact O-N 3.05Å
112D98.4Very high91.2Very high0 Ų048.6 Ų48.60%024%0.239CC..EExtended strand (participates in β ladder)trans-122.2135176.5-176.276.8000111.2F56 I86 V87 Q88 F89 S157 A158 K159F56-D112 HydrophobicContact CD1-CB 4.2Å; F56-D112 HydrophobicContact CE1-CB 3.76Å; I86-D112 HydrophobicContact CG2-CB 3.61Å; V87-D112 PolarHBondContact O-N 2.96Å; Q88-D112 CarbonylContact C-O 3.46Å; Q88-D112 WeakPolarHBondContact CA-O 3.5Å; Q88-D112 HydrophobicContact CB-CB 4.21Å; Q88-D112 HydrophobicContact CG-CB 4.23Å; Q88-D112 WeakPolarHBondContact CG-OD2 3.31Å; Q88-D112 PolarHBondContact NE2-OD2 2.9Å; F89-D112 PolarHBondContact N-O 3.08Å; D112-S157 CarbonylContact C-O 3.56Å; D112-S157 WeakPolarHBondContact CA-O 3.1Å; D112-S157 VanDerWaalsContact CB-OG 3.26Å; D112-S157 WeakPolarHBondContact CB-OG 3.03Å; D112-S157 VanDerWaalsContact OD1-C 3.23Å; D112-S157 WeakPolarHBondContact OD1-CB 3.39Å; D112-S157 PolarHBondContact OD1-OG 3.15Å; D112-A158 VanDerWaalsContact OD1-CA 3.26Å; D112-A158 WeakPolarHBondContact OD1-CA 3.27Å; D112-A158 PolarHBondContact OD1-N 3.33Å; D112-K159 PolarHBondContact OD1-N 2.89Å
113L98Very high90.5Very high1 Ų147.1 Ų47.11%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-92.5119.8173-173.961.9000111.1A91 F97 C115 L131 L138 M141 I142 S157 A158 K159A91-L113 HydrophobicContact CB-CD1 4.1Å; F97-L113 HydrophobicContact CD2-CD1 3.93Å; F97-L113 HydrophobicContact CE2-CB 3.96Å; F97-L113 HydrophobicContact CE2-CD1 4.04Å; F97-L113 HydrophobicContact CZ-CB 4.06Å; L113-C115 PolarHBondContact O-N 2.75Å; L113-C115 PolarHBondContact O-SG 3.28Å; L113-L131 HydrophobicContact CD2-CD1 4.32Å; L113-L131 HydrophobicContact CG-CD1 4.42Å; L113-L138 HydrophobicContact CD2-CD1 3.48Å; L113-L138 VanDerWaalsContact CD2-CD1 3.48Å; L113-M141 HydrophobicContact CD2-CE 4.05Å; L113-I142 HydrophobicContact CB-CD1 4.44Å; L113-I142 HydrophobicContact CD2-CD1 3.97Å; L113-S157 PolarHBondContact N-O 3.11Å; L113-A158 HydrophobicContact CB-CB 4.49Å; L113-A158 WeakPolarHBondContact O-CA 3.25Å; L113-K159 PolarHBondContact O-N 3.17Å
114N97.5Very high89.6Confident13 Ų1349 Ų497%0.0724%0.244CC..EExtended strand (participates in β ladder)trans-74107.8174.6-169.7-60.7000111M59 Q88 F89 G116 C117 G128M59-N114 HydrophobicContact CG-CB 4.12Å; M59-N114 HydrophobicContact SD-CB 4.17Å; Q88-N114 HydrophobicContact CG-CB 4Å; Q88-N114 PolarHBondContact OE1-ND2 3.24Å; F89-N114 PolarHBondContact O-N 2.92Å; N114-G116 PolarHBondContact OD1-N 3.39Å; N114-C117 VanDerWaalsContact OD1-CB 3.3Å; N114-C117 WeakPolarHBondContact OD1-CB 3.48Å; N114-C117 PolarHBondContact OD1-N 3.32Å; N114-G128 WeakPolarHBondContact O-CA 3.34Å; N114-G128 PolarHBondContact O-N 2.75Å
115C95.4Very high89.1Confident0 Ų052.3 Ų52.30%026%0.264CS..EExtended strand (participates in β ladder)trans-113.316.9177.2-52.10000111.9L113 G128 L132 L138 K159 I160L113-C115 PolarHBondContact O-N 2.75Å; L113-C115 PolarHBondContact O-SG 3.28Å; C115-G128 VanDerWaalsContact C-C 3.49Å; C115-G128 CarbonylContact C-O 3.25Å; C115-G128 VanDerWaalsContact C-O 3.3Å; C115-G128 WeakPolarHBondContact CA-O 3.33Å; C115-L132 HydrophobicContact CB-CD2 4.28Å; C115-L132 WeakPolarHBondContact O-CD1 3.45Å; C115-L132 VanDerWaalsContact O-CG 3.24Å; C115-L132 WeakPolarHBondContact O-CG 3.36Å; C115-L138 HydrophobicContact CB-CD2 4.34Å; C115-L138 VanDerWaalsContact SG-CD1 3.54Å; C115-K159 CarbonylContact C-O 3.12Å; C115-K159 WeakPolarHBondContact CA-O 3.35Å; C115-K159 WeakPolarHBondContact CB-O 2.98Å; C115-K159 PolarHBondContact N-O 3Å; C115-I160 HydrophobicContact CB-CG2 3.82Å
116G88.6Confident88.9Confident9 Ų954.7 Ų54.79%0.09327%0.27CS..  trans-133-1.7-164.800000115.8N114 P118 K159 R161N114-G116 PolarHBondContact OD1-N 3.39Å; G116-P118 VanDerWaalsContact O-CD 3.27Å; G116-P118 WeakPolarHBondContact O-CD 3.3Å; G116-K159 PolarHBondContact N-O 3.31Å; G116-R161 PolarHBondContact O-NE 3.28Å
117C89.2Confident88.8Confident24 Ų2449.3 Ų49.316%0.16224%0.237CC..  trans-80.4114.9179.4-1710000111.3M59 N114 K119 A122 S129M59-C117 HydrophobicContact SD-CB 4.27Å; N114-C117 VanDerWaalsContact OD1-CB 3.3Å; N114-C117 WeakPolarHBondContact OD1-CB 3.48Å; N114-C117 PolarHBondContact OD1-N 3.32Å; C117-K119 VanDerWaalsContact C-N 3.28Å; C117-K119 PolarHBondContact O-N 2.86Å; C117-A122 HydrophobicContact CB-CB 4.28Å; C117-S129 PolarHBondContact O-N 2.98Å; C117-S129 PolarHBondContact O-OG 2.88Å
118P86.7Confident88.7Confident38 Ų3845.6 Ų45.625%0.24722%0.22CC..  trans-90.714.7179.238.5-36.5000112.7G116 S129 P191G116-P118 VanDerWaalsContact O-CD 3.27Å; G116-P118 WeakPolarHBondContact O-CD 3.3Å; P118-S129 WeakPolarHBondContact CA-OG 3.29Å; P118-P191 HydrophobicContact CB-CB 4.42Å
119K86.1Confident88.5Confident143 Ų14345.8 Ų45.862%0.62222%0.221SC*.  trans-77.7137.9-177.1-66.8-62.1-174.8-171.90109.9C117 K121 A122 L123C117-K119 VanDerWaalsContact C-N 3.28Å; C117-K119 PolarHBondContact O-N 2.86Å; K119-K121 VanDerWaalsContact C-N 3.28Å; K119-K121 PolarHBondContact O-N 3.33Å; K119-K121 VanDerWaalsContact O-N 3.14Å; K119-A122 WeakPolarHBondContact O-CB 3.48Å; K119-A122 PolarHBondContact O-N 3.43Å; K119-L123 PolarHBondContact O-N 3.31Å
120R80.6Confident88.3Confident196 Ų19646 Ų4674%0.7423%0.225SC*.Hα-helixtrans-46.5-46.1-179.9-169.7174.7178.1172.61.8113.8A122 L123 D124R120-A122 PolarHBondContact O-N 3.45Å; R120-A122 VanDerWaalsContact O-N 3.15Å; R120-L123 PolarHBondContact O-N 3.45Å; R120-D124 WeakPolarHBondContact CG-OD1 3.36Å; R120-D124 WeakPolarHBondContact CG-OD2 3.47Å; R120-D124 IonicContact NE-OD1 2.65Å; R120-D124 WeakPolarHBondContact O-CB 3.32Å; R120-D124 PolarHBondContact O-N 2.91Å
121K78.3Confident88.1Confident161 Ų16146 Ų4670%0.723%0.225SC*.Hα-helixtrans-58.5-27.2176.7-72.1-167.2174.5-1660115.3Y61 K119 V125Y61-K121 PolarHBondContact OH-O 2.89Å; K119-K121 VanDerWaalsContact C-N 3.28Å; K119-K121 PolarHBondContact O-N 3.33Å; K119-K121 VanDerWaalsContact O-N 3.14Å; K121-V125 WeakPolarHBondContact O-CG2 3.37Å
122A74Confident87.9Confident1 Ų146.2 Ų46.21%0.00823%0.226CC..Hα-helixtrans-83.9-40.2174.400000110.6C117 K119 R120 V125 E126 C127C117-A122 HydrophobicContact CB-CB 4.28Å; K119-A122 WeakPolarHBondContact O-CB 3.48Å; K119-A122 PolarHBondContact O-N 3.43Å; R120-A122 PolarHBondContact O-N 3.45Å; R120-A122 VanDerWaalsContact O-N 3.15Å; A122-V125 CarbonylContact O-C 3.56Å; A122-V125 WeakPolarHBondContact O-CG2 3.44Å; A122-V125 PolarHBondContact O-N 3.21Å; A122-E126 PolarHBondContact O-N 2.94Å; A122-C127 CarbonylContact C-O 3.58Å; A122-C127 PolarHBondContact O-N 3.44Å
123L80.6Confident87.3Confident70 Ų7050.9 Ų50.937%0.36626%0.259SS..Hα-helixtrans-63.7-40.3177.1-62174.4000112.8K119 R120 V125 E126 A130K119-L123 PolarHBondContact O-N 3.31Å; R120-L123 PolarHBondContact O-N 3.45Å; L123-V125 PolarHBondContact O-N 2.73Å; L123-E126 WeakPolarHBondContact O-CA 3.4Å; L123-E126 PolarHBondContact O-N 3.22Å; L123-A130 HydrophobicContact CD2-CB 3.9Å
124D76.5Confident87Confident108 Ų10854.4 Ų54.458%0.57827%0.272SS*.THydrogen-bonded Turntrans-63.8-23.1-178.9-66-19.5000112.5R120R120-D124 WeakPolarHBondContact CG-OD1 3.36Å; R120-D124 WeakPolarHBondContact CG-OD2 3.47Å; R120-D124 IonicContact NE-OD1 2.65Å; R120-D124 WeakPolarHBondContact O-CB 3.32Å; R120-D124 PolarHBondContact O-N 2.91Å
125V84Confident86.8Confident69 Ų6955 Ų5542%0.41828%0.277SS..THydrogen-bonded Turntrans-109.722.6174-60.50000111.5Y61 K121 A122 L123 C127Y61-V125 HydrophobicContact CD1-CG2 4.5Å; Y61-V125 HydrophobicContact CE1-CG2 3.9Å; K121-V125 WeakPolarHBondContact O-CG2 3.37Å; A122-V125 CarbonylContact O-C 3.56Å; A122-V125 WeakPolarHBondContact O-CG2 3.44Å; A122-V125 PolarHBondContact O-N 3.21Å; L123-V125 PolarHBondContact O-N 2.73Å; V125-C127 HydrophobicContact CG2-CB 4.13Å; V125-C127 PolarHBondContact O-N 2.87Å; V125-C127 PolarHBondContact O-SG 3.38Å
126E87.3Confident86.8Confident101 Ų10159.6 Ų59.647%0.47230%0.302SS..THydrogen-bonded Turntrans5323.7176.7-42.8-169.4127.600116.1A122 L123 R134A122-E126 PolarHBondContact O-N 2.94Å; L123-E126 WeakPolarHBondContact O-CA 3.4Å; L123-E126 PolarHBondContact O-N 3.22Å; E126-R134 VanDerWaalsContact CD-NH1 3.3Å; E126-R134 PolarHBondContact O-NH2 3.49Å; E126-R134 IonicContact OE1-NH1 3.37Å; E126-R134 IonicContact OE2-CZ 3.54Å; E126-R134 IonicContact OE2-NH1 3.88Å; E126-R134 PolarHBondContact OE2-NH1 3.37Å; E126-R134 IonicContact OE2-NH2 2.76Å
127C88.6Confident87.2Confident4 Ų462.2 Ų62.23%0.02731%0.312CS..  trans-97.3178.2176.3-67.30000111.5A90 A122 V125 S129 A130A90-C127 HydrophobicContact CB-CB 4.23Å; A122-C127 CarbonylContact C-O 3.58Å; A122-C127 PolarHBondContact O-N 3.44Å; V125-C127 HydrophobicContact CG2-CB 4.13Å; V125-C127 PolarHBondContact O-N 2.87Å; V125-C127 PolarHBondContact O-SG 3.38Å; C127-S129 PolarHBondContact O-N 2.84Å; C127-A130 WeakPolarHBondContact O-CB 3.49Å; C127-A130 PolarHBondContact O-N 3.33Å
128G89.5Confident87.5Confident0 Ų061.1 Ų61.10%030%0.304CS..THydrogen-bonded Turntrans69.4-134.2173.700000111.5N114 C115 A130 L131N114-G128 WeakPolarHBondContact O-CA 3.34Å; N114-G128 PolarHBondContact O-N 2.75Å; C115-G128 VanDerWaalsContact C-C 3.49Å; C115-G128 CarbonylContact C-O 3.25Å; C115-G128 VanDerWaalsContact C-O 3.3Å; C115-G128 WeakPolarHBondContact CA-O 3.33Å; G128-A130 PolarHBondContact O-N 3.31Å; G128-L131 WeakPolarHBondContact O-CB 3.49Å; G128-L131 PolarHBondContact O-N 2.72Å; G128-L131 VanDerWaalsContact O-N 3.16Å
129S90.3Very high88.1Confident11 Ų1160.6 Ų60.68%0.07730%0.3CS..THydrogen-bonded Turntrans-68.4-13.3-178.362.70000114C117 P118 C127 L131 L132C117-S129 PolarHBondContact O-N 2.98Å; C117-S129 PolarHBondContact O-OG 2.88Å; P118-S129 WeakPolarHBondContact CA-OG 3.29Å; C127-S129 PolarHBondContact O-N 2.84Å; S129-L131 PolarHBondContact O-N 2.88Å; S129-L132 WeakPolarHBondContact O-CB 3.49Å; S129-L132 PolarHBondContact O-N 3.03Å; S129-L132 VanDerWaalsContact O-N 3.08Å
130A90.9Very high88.6Confident18 Ų1859.7 Ų59.715%0.14930%0.298CS..Hα-helixtrans-61.8-27.9171.700000112.4L123 C127 G128 L132 S133L123-A130 HydrophobicContact CD2-CB 3.9Å; C127-A130 WeakPolarHBondContact O-CB 3.49Å; C127-A130 PolarHBondContact O-N 3.33Å; G128-A130 PolarHBondContact O-N 3.31Å; A130-L132 VanDerWaalsContact C-N 3.28Å; A130-L132 PolarHBondContact O-N 2.89Å; A130-S133 PolarHBondContact O-N 3.01Å
131L92.8Very high89.3Confident0 Ų050.6 Ų50.60%026%0.264CS..Hα-helixtrans-67.6-26.6174.5-67.3170.6000112.7L113 G128 S129 S133 R134 S135 L138 M141L113-L131 HydrophobicContact CD2-CD1 4.32Å; L113-L131 HydrophobicContact CG-CD1 4.42Å; G128-L131 WeakPolarHBondContact O-CB 3.49Å; G128-L131 PolarHBondContact O-N 2.72Å; G128-L131 VanDerWaalsContact O-N 3.16Å; S129-L131 PolarHBondContact O-N 2.88Å; L131-S133 VanDerWaalsContact C-N 3.31Å; L131-S133 PolarHBondContact O-N 3.35Å; L131-R134 CarbonylContact O-C 3.38Å; L131-R134 PolarHBondContact O-N 3.01Å; L131-R134 VanDerWaalsContact O-N 3.12Å; L131-S135 PolarHBondContact O-N 2.92Å; L131-L138 HydrophobicContact CB-CB 4.48Å; L131-L138 HydrophobicContact CD1-CD1 4.47Å; L131-M141 HydrophobicContact CD2-SD 4.09Å
132L91.9Very high90.2Very high3 Ų343 Ų432%0.01623%0.231CC..Hα-helixtrans-68.1-34.1176.8-60.5175.2000111.7C115 S129 A130 R134 I160 R161 F163 L172 P191C115-L132 HydrophobicContact CB-CD2 4.28Å; C115-L132 WeakPolarHBondContact O-CD1 3.45Å; C115-L132 VanDerWaalsContact O-CG 3.24Å; C115-L132 WeakPolarHBondContact O-CG 3.36Å; S129-L132 WeakPolarHBondContact O-CB 3.49Å; S129-L132 PolarHBondContact O-N 3.03Å; S129-L132 VanDerWaalsContact O-N 3.08Å; A130-L132 VanDerWaalsContact C-N 3.28Å; A130-L132 PolarHBondContact O-N 2.89Å; L132-R134 PolarHBondContact O-N 2.88Å; L132-I160 HydrophobicContact CD2-CB 4.11Å; L132-I160 HydrophobicContact CD2-CG2 4.13Å; L132-R161 HydrophobicContact CD1-CB 4.04Å; L132-F163 HydrophobicContact CB-CE1 3.95Å; L132-F163 HydrophobicContact CB-CZ 3.97Å; L132-F163 WeakPolarHBondContact O-CZ 3.47Å; L132-L172 HydrophobicContact CD2-CD2 3.91Å; L132-P191 HydrophobicContact CD1-CG 4.04Å
133S87.5Confident91.3Very high98 Ų9843.8 Ų43.869%0.68524%0.238SC*.Hα-helixtrans-69.2-21173.8-560000112.5A130 L131A130-S133 PolarHBondContact O-N 3.01Å; L131-S133 VanDerWaalsContact C-N 3.31Å; L131-S133 PolarHBondContact O-N 3.35Å
134R91.8Very high92.1Very high76 Ų7643.8 Ų43.829%0.28724%0.236SC..THydrogen-bonded Turntrans-116.354.3179.1-56.7-175.2-63.2178.25110.1E126 L131 L132 D136 H137 L138E126-R134 VanDerWaalsContact CD-NH1 3.3Å; E126-R134 PolarHBondContact O-NH2 3.49Å; E126-R134 IonicContact OE1-NH1 3.37Å; E126-R134 IonicContact OE2-CZ 3.54Å; E126-R134 IonicContact OE2-NH1 3.88Å; E126-R134 PolarHBondContact OE2-NH1 3.37Å; E126-R134 IonicContact OE2-NH2 2.76Å; L131-R134 CarbonylContact O-C 3.38Å; L131-R134 PolarHBondContact O-N 3.01Å; L131-R134 VanDerWaalsContact O-N 3.12Å; L132-R134 PolarHBondContact O-N 2.88Å; R134-D136 PolarHBondContact O-N 3.45Å; R134-H137 HydrophobicContact CB-CB 4.08Å; R134-H137 WeakPolarHBondContact O-CB 3.46Å; R134-H137 PolarHBondContact O-N 2.78Å; R134-H137 VanDerWaalsContact O-N 3.16Å; R134-L138 PolarHBondContact O-N 3.46Å
135S93.2Very high93Very high25 Ų2538.7 Ų38.718%0.17521%0.209CC..Hα-helixtrans-53.8-38.8-173.148.60000113.7L131 L138 V139L131-S135 PolarHBondContact O-N 2.92Å; S135-L138 PolarHBondContact O-N 3.43Å; S135-V139 VanDerWaalsContact O-CG2 3.24Å; S135-V139 WeakPolarHBondContact O-CG2 3.46Å; S135-V139 PolarHBondContact O-N 2.97Å
136D95.5Very high93.5Very high96 Ų9638.1 Ų38.151%0.51320%0.199SC..Hα-helixtrans-69.4-42.8-178.3-59.9-30000111.2R134 L138 V139 E140 K175R134-D136 PolarHBondContact O-N 3.45Å; D136-L138 VanDerWaalsContact C-N 3.34Å; D136-L138 PolarHBondContact O-N 2.97Å; D136-V139 WeakPolarHBondContact O-CB 3.39Å; D136-V139 PolarHBondContact O-N 3.18Å; D136-V139 VanDerWaalsContact O-N 3.16Å; D136-E140 WeakPolarHBondContact O-CG 3.43Å; D136-E140 PolarHBondContact O-N 3.42Å; D136-K175 IonicContact OD1-NZ 3.44Å
137H96Very high93.9Very high65 Ų6541.9 Ų41.930%0.30121%0.209SC..Hα-helixtrans-59.3-43.1172.9-177.866.2000112.1D92 R134 V139 E140 M141D92-H137 PolarHBondContact O-NE2 3.06Å; R134-H137 HydrophobicContact CB-CB 4.08Å; R134-H137 WeakPolarHBondContact O-CB 3.46Å; R134-H137 PolarHBondContact O-N 2.78Å; R134-H137 VanDerWaalsContact O-N 3.16Å; H137-V139 VanDerWaalsContact C-N 3.34Å; H137-V139 PolarHBondContact O-N 3.44Å; H137-E140 PolarHBondContact O-N 3.34Å; H137-M141 VanDerWaalsContact CD2-SD 3.59Å; H137-M141 PolarHBondContact NE2-SD 3.04Å; H137-M141 VanDerWaalsContact NE2-SD 3.36Å; H137-M141 VanDerWaalsContact O-CG 3.3Å; H137-M141 WeakPolarHBondContact O-CG 3.04Å; H137-M141 PolarHBondContact O-N 3.01Å
138L96.6Very high94.2Very high0 Ų045.6 Ų45.60%022%0.222CC..Hα-helixtrans-60.2-43.2175.3170.361.2000111.9L113 C115 L131 R134 S135 D136 M141 I142 L172 L176L113-L138 HydrophobicContact CD2-CD1 3.48Å; L113-L138 VanDerWaalsContact CD2-CD1 3.48Å; C115-L138 HydrophobicContact CB-CD2 4.34Å; C115-L138 VanDerWaalsContact SG-CD1 3.54Å; L131-L138 HydrophobicContact CB-CB 4.48Å; L131-L138 HydrophobicContact CD1-CD1 4.47Å; R134-L138 PolarHBondContact O-N 3.46Å; S135-L138 PolarHBondContact O-N 3.43Å; D136-L138 VanDerWaalsContact C-N 3.34Å; D136-L138 PolarHBondContact O-N 2.97Å; L138-M141 PolarHBondContact O-N 2.74Å; L138-I142 HydrophobicContact CD1-CG1 4.37Å; L138-I142 WeakPolarHBondContact O-CG1 3.3Å; L138-I142 PolarHBondContact O-N 3.07Å; L138-I142 VanDerWaalsContact O-N 3.13Å; L138-L172 HydrophobicContact CD2-CD1 4.4Å; L138-L176 HydrophobicContact CD2-CD2 4.2Å; L138-L176 HydrophobicContact CG-CD2 3.96Å
139V97.4Very high94.3Very high28 Ų2846.4 Ų46.417%0.1723%0.227CC..Hα-helixtrans-63.6-43.2177.6169.80000110.7S135 D136 H137 I142 A143 L172 K175 L176 A179S135-V139 VanDerWaalsContact O-CG2 3.24Å; S135-V139 WeakPolarHBondContact O-CG2 3.46Å; S135-V139 PolarHBondContact O-N 2.97Å; D136-V139 WeakPolarHBondContact O-CB 3.39Å; D136-V139 PolarHBondContact O-N 3.18Å; D136-V139 VanDerWaalsContact O-N 3.16Å; H137-V139 VanDerWaalsContact C-N 3.34Å; H137-V139 PolarHBondContact O-N 3.44Å; V139-I142 PolarHBondContact O-N 3.26Å; V139-A143 WeakPolarHBondContact O-CB 3.34Å; V139-A143 PolarHBondContact O-N 3.32Å; V139-L172 HydrophobicContact CG2-CD1 4.29Å; V139-K175 HydrophobicContact CG1-CB 4.32Å; V139-K175 HydrophobicContact CG2-CB 3.65Å; V139-L176 HydrophobicContact CG2-CD2 4.2Å; V139-L176 HydrophobicContact CG2-CG 4.5Å; V139-A179 HydrophobicContact CG1-CB 4.13Å
140E97.1Very high93.7Very high124 Ų12452.4 Ų52.458%0.57926%0.263SS*.Hα-helixtrans-61.3-44.5175.2-73174.5-171.300112.1D136 H137 I142 A143 E144D136-E140 WeakPolarHBondContact O-CG 3.43Å; D136-E140 PolarHBondContact O-N 3.42Å; H137-E140 PolarHBondContact O-N 3.34Å; E140-I142 PolarHBondContact O-N 2.93Å; E140-A143 PolarHBondContact O-N 3.32Å; E140-E144 WeakPolarHBondContact O-CB 3.44Å; E140-E144 PolarHBondContact O-N 3.39Å
141M96.5Very high93.4Very high5 Ų555.7 Ų55.73%0.02528%0.278CS..Hα-helixtrans-57.9-46.2177.2-75.8176.660.100112.1A91 A94 L113 L131 H137 L138 S145A91-M141 HydrophobicContact CB-CE 4.42Å; A94-M141 HydrophobicContact CB-CB 4.49Å; L113-M141 HydrophobicContact CD2-CE 4.05Å; L131-M141 HydrophobicContact CD2-SD 4.09Å; H137-M141 VanDerWaalsContact CD2-SD 3.59Å; H137-M141 PolarHBondContact NE2-SD 3.04Å; H137-M141 VanDerWaalsContact NE2-SD 3.36Å; H137-M141 VanDerWaalsContact O-CG 3.3Å; H137-M141 WeakPolarHBondContact O-CG 3.04Å; H137-M141 PolarHBondContact O-N 3.01Å; L138-M141 PolarHBondContact O-N 2.74Å; M141-S145 WeakPolarHBondContact O-CB 3.27Å; M141-S145 PolarHBondContact O-N 3.03Å; M141-S145 PolarHBondContact O-OG 2.97Å
142I96.9Very high92.9Very high0 Ų061 Ų610%031%0.312CS..Hα-helixtrans-65.4-44.4178-65.9-57000110.8L113 L138 V139 E140 E144 S145 R146 I156 L176 A179 L181L113-I142 HydrophobicContact CB-CD1 4.44Å; L113-I142 HydrophobicContact CD2-CD1 3.97Å; L138-I142 HydrophobicContact CD1-CG1 4.37Å; L138-I142 WeakPolarHBondContact O-CG1 3.3Å; L138-I142 PolarHBondContact O-N 3.07Å; L138-I142 VanDerWaalsContact O-N 3.13Å; V139-I142 PolarHBondContact O-N 3.26Å; E140-I142 PolarHBondContact O-N 2.93Å; I142-E144 VanDerWaalsContact C-N 3.34Å; I142-E144 PolarHBondContact O-N 3.13Å; I142-S145 PolarHBondContact O-N 3.34Å; I142-R146 WeakPolarHBondContact O-CB 3.35Å; I142-R146 PolarHBondContact O-N 2.98Å; I142-I156 HydrophobicContact CD1-CG2 4.31Å; I142-L176 HydrophobicContact CG1-CD2 4.07Å; I142-A179 HydrophobicContact CB-CB 4.03Å; I142-A179 HydrophobicContact CG2-CB 3.75Å; I142-L181 HydrophobicContact CD1-CD2 3.83Å; I142-L181 HydrophobicContact CG1-CD2 4.1Å; I142-L181 HydrophobicContact CG2-CD2 3.65Å; I142-L181 HydrophobicContact CG2-CG 3.97Å
143A96.8Very high92.5Very high19 Ų1967.7 Ų67.716%0.15734%0.341CS..Hα-helixtrans-62.7-41179.700000111.9V139 E140 R147 A179V139-A143 WeakPolarHBondContact O-CB 3.34Å; V139-A143 PolarHBondContact O-N 3.32Å; E140-A143 PolarHBondContact O-N 3.32Å; A143-R147 WeakPolarHBondContact O-CG 3.23Å; A143-R147 PolarHBondContact O-N 3.38Å; A143-R147 PolarHBondContact O-NH1 3.5Å; A143-A179 WeakPolarHBondContact CA-O 3.39Å; A143-A179 HydrophobicContact CB-CB 4.07Å
144E96.6Very high92.8Very high70 Ų7063.4 Ų63.433%0.32731%0.31SS..Hα-helixtrans-65.4-45.3174.1-167.1-168.8142.800111.6A94 E140 I142 R146 R147 R148A94-E144 HydrophobicContact CB-CB 3.91Å; A94-E144 VanDerWaalsContact CB-CD 3.45Å; A94-E144 HydrophobicContact CB-CG 4.08Å; A94-E144 WeakPolarHBondContact CB-OE2 3.31Å; E140-E144 WeakPolarHBondContact O-CB 3.44Å; E140-E144 PolarHBondContact O-N 3.39Å; I142-E144 VanDerWaalsContact C-N 3.34Å; I142-E144 PolarHBondContact O-N 3.13Å; E144-R146 VanDerWaalsContact C-N 3.31Å; E144-R146 PolarHBondContact O-N 2.92Å; E144-R147 PolarHBondContact O-N 2.96Å; E144-R147 VanDerWaalsContact O-N 3.13Å; E144-R148 HydrophobicContact CG-CG 4.45Å; E144-R148 WeakPolarHBondContact O-CG 3.47Å; E144-R148 PolarHBondContact O-N 3.25Å; E144-R148 WeakPolarHBondContact OE1-CD 3.4Å; E144-R148 IonicContact OE1-CZ 3.41Å; E144-R148 IonicContact OE1-NH1 3.54Å; E144-R148 PolarHBondContact OE1-NH1 3.1Å
145S96.3Very high92.9Very high1 Ų159.9 Ų59.91%0.00730%0.297CS..Hα-helixtrans-60.5-41.7179.8-56.90000112F97 M141 I142 R147 R148 L149F97-S145 WeakPolarHBondContact CD1-OG 3.48Å; M141-S145 WeakPolarHBondContact O-CB 3.27Å; M141-S145 PolarHBondContact O-N 3.03Å; M141-S145 PolarHBondContact O-OG 2.97Å; I142-S145 PolarHBondContact O-N 3.34Å; S145-R147 PolarHBondContact O-N 2.97Å; S145-R148 PolarHBondContact O-N 3.18Å; S145-L149 PolarHBondContact O-N 3.25Å
146R94.8Very high93.1Very high57 Ų5758.7 Ų58.722%0.21529%0.289CS..Hα-helixtrans-65.7-35.6176.5-178.358.469.1-172.37.9112.7I142 E144 F154 I156 G180 S182I142-R146 WeakPolarHBondContact O-CB 3.35Å; I142-R146 PolarHBondContact O-N 2.98Å; E144-R146 VanDerWaalsContact C-N 3.31Å; E144-R146 PolarHBondContact O-N 2.92Å; R146-F154 PolarHBondContact NH1-O 3.37Å; R146-I156 HydrophobicContact CB-CD1 4.26Å; R146-G180 VanDerWaalsContact CZ-O 3.22Å; R146-G180 PolarHBondContact NE-O 3.45Å; R146-G180 PolarHBondContact NH2-O 3.4Å; R146-S182 PolarHBondContact NH2-OG 2.84Å
147R95Very high93.2Very high180 Ų18054.1 Ų54.168%0.67926%0.264SS*.Hα-helixtrans-68.9-34.4175.1-74.3-173.3-62.2-92.73.4112.6A143 E144 S145A143-R147 WeakPolarHBondContact O-CG 3.23Å; A143-R147 PolarHBondContact O-N 3.38Å; A143-R147 PolarHBondContact O-NH1 3.5Å; E144-R147 PolarHBondContact O-N 2.96Å; E144-R147 VanDerWaalsContact O-N 3.13Å; S145-R147 PolarHBondContact O-N 2.97Å
148R95.7Very high93.3Very high81 Ų8151 Ų5131%0.30625%0.25SC..Hα-helixtrans-84.5-33.5-174.5-69.3174.361.6172.5-2.8113.5D95 V98 E144 S145 V150D95-R148 IonicContact OD1-CZ 3.21Å; D95-R148 IonicContact OD1-NH1 2.84Å; D95-R148 PolarHBondContact OD1-NH1 3.36Å; D95-R148 IonicContact OD1-NH2 2.77Å; D95-R148 PolarHBondContact OD1-NH2 3.48Å; V98-R148 HydrophobicContact CG1-CB 3.88Å; V98-R148 HydrophobicContact CG2-CB 4.04Å; E144-R148 HydrophobicContact CG-CG 4.45Å; E144-R148 WeakPolarHBondContact O-CG 3.47Å; E144-R148 PolarHBondContact O-N 3.25Å; E144-R148 WeakPolarHBondContact OE1-CD 3.4Å; E144-R148 IonicContact OE1-CZ 3.41Å; E144-R148 IonicContact OE1-NH1 3.54Å; E144-R148 PolarHBondContact OE1-NH1 3.1Å; S145-R148 PolarHBondContact O-N 3.18Å; R148-V150 PolarHBondContact O-N 3.1Å
149L90.7Very high93.4Very high17 Ų1752 Ų529%0.08925%0.254CS..  trans-82.2101.9178.7-68.3171.1000110.9V98 A101 E102 S145 N151 F154 I156V98-L149 HydrophobicContact CG1-CD2 4.19Å; V98-L149 HydrophobicContact CG1-CG 4.42Å; A101-L149 HydrophobicContact CB-CD1 3.86Å; A101-L149 HydrophobicContact CB-CD2 4.02Å; E102-L149 HydrophobicContact CG-CD2 3.99Å; S145-L149 PolarHBondContact O-N 3.25Å; L149-N151 VanDerWaalsContact C-N 3.33Å; L149-N151 PolarHBondContact O-N 3.07Å; L149-F154 HydrophobicContact CD1-CD1 4.35Å; L149-I156 HydrophobicContact CD1-CD1 3.72Å; L149-I156 HydrophobicContact CD1-CG1 4.11Å
150V77.8Confident93.4Very high138 Ų13850.7 Ų50.784%0.83625%0.246SC*.  trans-65.2-29.5-169.8-176.50000113.7R148 P152R148-V150 PolarHBondContact O-N 3.1Å; V150-P152 WeakPolarHBondContact O-CD 3.41Å
151N85.3Confident93.4Very high87 Ų8746.1 Ų46.147%0.46522%0.224SC..  trans-77.9108.5-178.3-178.20.6000110.9L149 K153 F154L149-N151 VanDerWaalsContact C-N 3.33Å; L149-N151 PolarHBondContact O-N 3.07Å; N151-K153 PolarHBondContact O-N 2.99Å; N151-K153 WeakPolarHBondContact OD1-CB 3.46Å; N151-K153 PolarHBondContact OD1-N 3.19Å; N151-F154 HydrophobicContact CB-CB 4.08Å; N151-F154 WeakPolarHBondContact O-CB 3.1Å; N151-F154 PolarHBondContact O-N 3.26Å; N151-F154 VanDerWaalsContact O-N 3.1Å
152P80.9Confident93.4Very high111 Ų11146.2 Ų46.272%0.72122%0.224SC*.THydrogen-bonded Turntrans-68.3-21-177.529.9-36.2000113.2V150 F154V150-P152 WeakPolarHBondContact O-CD 3.41Å; P152-F154 VanDerWaalsContact C-N 3.33Å
153K84.1Confident93.3Very high143 Ų14347.5 Ų47.562%0.62223%0.23SC*.THydrogen-bonded Turntrans-80.4-15.9176.6-63.8-172.3177.6-176.10112.8N151 S155N151-K153 PolarHBondContact O-N 2.99Å; N151-K153 WeakPolarHBondContact OD1-CB 3.46Å; N151-K153 PolarHBondContact OD1-N 3.19Å; K153-S155 PolarHBondContact O-N 3.05Å
154F93.4Very high93.1Very high9 Ų953.2 Ų53.24%0.03926%0.258CS..SBendtrans-73.6118.3177.6-166.5-106.4000109.5A101 C108 V111 R146 L149 N151 P152A101-F154 HydrophobicContact CB-CE1 4.23Å; C108-F154 WeakPolarHBondContact O-CE2 3.41Å; V111-F154 HydrophobicContact CB-CE1 4.39Å; V111-F154 HydrophobicContact CG1-CE1 3.88Å; V111-F154 HydrophobicContact CG1-CZ 3.92Å; V111-F154 HydrophobicContact CG2-CE1 3.92Å; R146-F154 PolarHBondContact NH1-O 3.37Å; L149-F154 HydrophobicContact CD1-CD1 4.35Å; N151-F154 HydrophobicContact CB-CB 4.08Å; N151-F154 WeakPolarHBondContact O-CB 3.1Å; N151-F154 PolarHBondContact O-N 3.26Å; N151-F154 VanDerWaalsContact O-N 3.1Å; P152-F154 VanDerWaalsContact C-N 3.33Å
155S95.5Very high93Very high1 Ų153.5 Ų53.51%0.00726%0.261CS..EExtended strand (participates in β ladder)trans-76.8137-173.161.70000111.4I86 E109 G110 V111 K153 S182I86-S155 WeakPolarHBondContact CD1-OG 3.24Å; E109-S155 PolarHBondContact O-N 3.36Å; E109-S155 PolarHBondContact O-OG 2.81Å; G110-S155 CarbonylContact C-O 3.56Å; G110-S155 WeakPolarHBondContact CA-O 3.4Å; G110-S155 WeakPolarHBondContact CA-OG 3.43Å; V111-S155 PolarHBondContact N-O 3.43Å; K153-S155 PolarHBondContact O-N 3.05Å; S155-S182 WeakPolarHBondContact CA-OG 3.35Å
156I97.2Very high92.8Very high0 Ų056.2 Ų56.20%028%0.275CS..EExtended strand (participates in β ladder)trans-119.1117.3170.2-54.4175.1000106.3F97 V111 I142 R146 L149 L181 S182F97-I156 HydrophobicContact CE1-CG2 4.03Å; F97-I156 HydrophobicContact CZ-CG2 4.36Å; V111-I156 HydrophobicContact CG2-CG1 4.38Å; V111-I156 WeakPolarHBondContact O-CA 3.11Å; I142-I156 HydrophobicContact CD1-CG2 4.31Å; R146-I156 HydrophobicContact CB-CD1 4.26Å; L149-I156 HydrophobicContact CD1-CD1 3.72Å; L149-I156 HydrophobicContact CD1-CG1 4.11Å; I156-L181 HydrophobicContact CG2-CD2 4.2Å; I156-S182 PolarHBondContact N-OG 2.87Å; I156-S182 WeakPolarHBondContact O-CB 3.43Å; I156-S182 PolarHBondContact O-N 2.91Å
157S97.8Very high92.9Very high0 Ų061.6 Ų61.60%030%0.3CS..EExtended strand (participates in β ladder)trans-121.3169.6177.666.60000111.8V111 D112 L113 F183V111-S157 PolarHBondContact O-N 3.05Å; D112-S157 CarbonylContact C-O 3.56Å; D112-S157 WeakPolarHBondContact CA-O 3.1Å; D112-S157 VanDerWaalsContact CB-OG 3.26Å; D112-S157 WeakPolarHBondContact CB-OG 3.03Å; D112-S157 VanDerWaalsContact OD1-C 3.23Å; D112-S157 WeakPolarHBondContact OD1-CB 3.39Å; D112-S157 PolarHBondContact OD1-OG 3.15Å; L113-S157 PolarHBondContact N-O 3.11Å; S157-F183 WeakPolarHBondContact CA-O 3.37Å; S157-F183 WeakPolarHBondContact CB-O 3.28Å; S157-F183 WeakPolarHBondContact OG-CZ 3.46Å
158A98Very high92.9Very high0 Ų059 Ų590%029%0.291CS..EExtended strand (participates in β ladder)trans-135.5149.8168.700000110.7D112 L113 L181 L184 T185D112-A158 VanDerWaalsContact OD1-CA 3.26Å; D112-A158 WeakPolarHBondContact OD1-CA 3.27Å; D112-A158 PolarHBondContact OD1-N 3.33Å; L113-A158 HydrophobicContact CB-CB 4.49Å; L113-A158 WeakPolarHBondContact O-CA 3.25Å; A158-L181 HydrophobicContact CB-CD1 3.87Å; A158-L181 HydrophobicContact CB-CD2 4.24Å; A158-L184 HydrophobicContact CB-CD1 4.29Å; A158-T185 PolarHBondContact O-N 3.46Å
159K98Very high92.9Very high21 Ų2155.1 Ų55.19%0.09128%0.276CS..EExtended strand (participates in β ladder)trans-113.1112.2171.8-172.7178.9-165.2-54.60110.9P34 D112 L113 C115 G116 T185 N217 M239P34-K159 HydrophobicContact CG-CD 4.1Å; D112-K159 PolarHBondContact OD1-N 2.89Å; L113-K159 PolarHBondContact O-N 3.17Å; C115-K159 CarbonylContact C-O 3.12Å; C115-K159 WeakPolarHBondContact CA-O 3.35Å; C115-K159 WeakPolarHBondContact CB-O 2.98Å; C115-K159 PolarHBondContact N-O 3Å; G116-K159 PolarHBondContact N-O 3.31Å; K159-T185 WeakPolarHBondContact CA-O 3.25Å; K159-T185 HydrophobicContact CD-CG2 4.26Å; K159-T185 HydrophobicContact CG-CG2 3.88Å; K159-N217 WeakPolarHBondContact CE-OD1 3.41Å; K159-N217 PolarHBondContact NZ-OD1 2.7Å; K159-M239 HydrophobicContact CD-SD 4.18Å; K159-M239 WeakPolarHBondContact CE-SD 3Å
160I97.4Very high93.3Very high1 Ų155.5 Ų55.51%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-111.8167.8-17667.5167.2000112.6C115 L132 L176 L184 T185 V186 H187C115-I160 HydrophobicContact CB-CG2 3.82Å; L132-I160 HydrophobicContact CD2-CB 4.11Å; L132-I160 HydrophobicContact CD2-CG2 4.13Å; I160-L176 HydrophobicContact CG2-CD1 4.31Å; I160-L184 HydrophobicContact CD1-CD1 4.37Å; I160-L184 HydrophobicContact CD1-CD2 4.16Å; I160-L184 HydrophobicContact CG1-CD1 4.29Å; I160-L184 HydrophobicContact CG2-CD1 4.34Å; I160-T185 PolarHBondContact N-O 3.47Å; I160-V186 HydrophobicContact CD1-CG2 4.31Å; I160-V186 HydrophobicContact CG1-CG1 4.47Å; I160-V186 HydrophobicContact CG1-CG2 4.12Å; I160-H187 PolarHBondContact O-N 2.92Å
161R96.2Very high94.2Very high27 Ų2751.9 Ų51.910%0.10226%0.255CS..EExtended strand (participates in β ladder)trans-111.9159.8162.2-82.1-170.1-173.1-139.80.6108.9G116 L132 H187 R189 T190 P191 Q193G116-R161 PolarHBondContact O-NE 3.28Å; L132-R161 HydrophobicContact CD1-CB 4.04Å; R161-H187 HydrophobicContact CG-CB 4.06Å; R161-R189 WeakPolarHBondContact CB-O 3.41Å; R161-R189 WeakPolarHBondContact CD-O 3.34Å; R161-R189 VanDerWaalsContact CG-O 3.31Å; R161-R189 WeakPolarHBondContact CG-O 3.37Å; R161-T190 PolarHBondContact NH1-O 3Å; R161-P191 HydrophobicContact CB-CG 4.31Å; R161-Q193 PolarHBondContact NH1-O 2.97Å
162I96.2Very high94.8Very high7 Ų747.9 Ų47.94%0.03623%0.234CC..  trans-81157.6179.664.9174000111.4L166 T169 V186 R189 T190 D199 V202I162-L166 HydrophobicContact CD1-CD2 4.47Å; I162-T169 HydrophobicContact CB-CG2 4.12Å; I162-T169 HydrophobicContact CG2-CG2 3.93Å; I162-V186 HydrophobicContact CG2-CG1 3.7Å; I162-R189 PolarHBondContact N-O 3.47Å; I162-T190 HydrophobicContact CG1-CG2 4.15Å; I162-T190 WeakPolarHBondContact O-CA 3.45Å; I162-D199 HydrophobicContact CD1-CB 4.42Å; I162-V202 HydrophobicContact CD1-CG1 4.5Å; I162-V202 HydrophobicContact CG2-CG1 4.11Å; I162-V202 HydrophobicContact CG2-CG2 4.03Å
163F95.1Very high95.6Very high28 Ų2842.6 Ų42.612%0.12320%0.199CC..  trans-88.6163.4165.7-60-76.4000110.5L132 D165 R168 T169 L172L132-F163 HydrophobicContact CB-CE1 3.95Å; L132-F163 HydrophobicContact CB-CZ 3.97Å; L132-F163 WeakPolarHBondContact O-CZ 3.47Å; F163-D165 PolarHBondContact O-N 2.68Å; F163-R168 HydrophobicContact CB-CB 4.41Å; F163-R168 HydrophobicContact CD2-CB 3.83Å; F163-R168 HydrophobicContact CE2-CB 4.38Å; F163-R168 HydrophobicContact CG-CB 4.25Å; F163-T169 PolarHBondContact N-OG1 3.12Å; F163-L172 HydrophobicContact CE2-CB 4.28Å; F163-L172 HydrophobicContact CE2-CD2 3.7Å; F163-L172 HydrophobicContact CZ-CD2 4.01Å
164D92.5Very high96.2Very high138 Ų13839.1 Ų39.174%0.73819%0.185SC*.SBendtrans-57.9-38.7168.8-67.4-42.7000111.6T190D164-T190 WeakPolarHBondContact OD1-CG2 3.3Å
165D94.3Very high96.5Very high76 Ų7641.3 Ų41.341%0.40620%0.195SC..SBendtrans-87108.4171.2178.718.3000110.8F163 K167 R168 T169F163-D165 PolarHBondContact O-N 2.68Å; D165-K167 PolarHBondContact O-N 2.76Å; D165-K167 WeakPolarHBondContact OD1-CB 3.38Å; D165-K167 PolarHBondContact OD1-N 2.88Å; D165-R168 HydrophobicContact CB-CB 4.39Å; D165-R168 PolarHBondContact O-N 2.92Å; D165-T169 PolarHBondContact O-N 3.23Å; D165-T169 PolarHBondContact O-OG1 3.45Å
166L93.8Very high96.6Very high58 Ų5841.3 Ų41.330%0.30420%0.195SC..Hα-helixtrans-61.3-26.6177.4-63.5-174000112.8I162 T169 V170 V202 L205I162-L166 HydrophobicContact CD1-CD2 4.47Å; L166-T169 WeakPolarHBondContact O-CB 3.34Å; L166-T169 PolarHBondContact O-N 3.42Å; L166-V170 WeakPolarHBondContact O-CG2 3.48Å; L166-V170 PolarHBondContact O-N 3.29Å; L166-V202 HydrophobicContact CD2-CB 4.44Å; L166-V202 HydrophobicContact CD2-CG2 3.58Å; L166-L205 HydrophobicContact CB-CD2 4.14Å; L166-L205 HydrophobicContact CD1-CD2 4.24Å
167K95.6Very high96.6Very high170 Ų17043.2 Ų43.274%0.73920%0.204SC*.Hα-helixtrans-65.9-44.5176.2-66.1-179.6179.5178.20111.4D165 T169 V170 D171D165-K167 PolarHBondContact O-N 2.76Å; D165-K167 WeakPolarHBondContact OD1-CB 3.38Å; D165-K167 PolarHBondContact OD1-N 2.88Å; K167-T169 PolarHBondContact O-N 3.48Å; K167-V170 PolarHBondContact O-N 3.45Å; K167-D171 PolarHBondContact O-N 3.46Å
168R95.7Very high96.6Very high125 Ų12551.7 Ų51.747%0.47224%0.236SC..Hα-helixtrans-59-37.4171.6-87-176.871.9-1693.6112.2F163 D165 L172F163-R168 HydrophobicContact CB-CB 4.41Å; F163-R168 HydrophobicContact CD2-CB 3.83Å; F163-R168 HydrophobicContact CE2-CB 4.38Å; F163-R168 HydrophobicContact CG-CB 4.25Å; D165-R168 HydrophobicContact CB-CB 4.39Å; D165-R168 PolarHBondContact O-N 2.92Å; R168-L172 WeakPolarHBondContact O-CB 3.45Å; R168-L172 PolarHBondContact O-N 3.03Å
169T96.5Very high96.5Very high1 Ų152.3 Ų52.31%0.00624%0.241CC..Hα-helixtrans-63-49.3177.2-56.20000110.6I162 F163 D165 L166 K167 L172 C173 I206I162-T169 HydrophobicContact CB-CG2 4.12Å; I162-T169 HydrophobicContact CG2-CG2 3.93Å; F163-T169 PolarHBondContact N-OG1 3.12Å; D165-T169 PolarHBondContact O-N 3.23Å; D165-T169 PolarHBondContact O-OG1 3.45Å; L166-T169 WeakPolarHBondContact O-CB 3.34Å; L166-T169 PolarHBondContact O-N 3.42Å; K167-T169 PolarHBondContact O-N 3.48Å; T169-L172 PolarHBondContact O-N 2.78Å; T169-C173 WeakPolarHBondContact O-CB 3.15Å; T169-C173 PolarHBondContact O-N 2.89Å; T169-C173 PolarHBondContact O-SG 3.07Å; T169-I206 HydrophobicContact CG2-CD1 3.8Å; T169-I206 HydrophobicContact CG2-CG1 4.48Å
170V97.4Very high96.4Very high24 Ų2452.4 Ų52.415%0.14525%0.248CC..Hα-helixtrans-62.9-44.7178173.60000111.8L166 K167 L172 C173 Q174 L205L166-V170 WeakPolarHBondContact O-CG2 3.48Å; L166-V170 PolarHBondContact O-N 3.29Å; K167-V170 PolarHBondContact O-N 3.45Å; V170-L172 PolarHBondContact O-N 3.27Å; V170-C173 WeakPolarHBondContact O-CB 3.44Å; V170-C173 PolarHBondContact O-N 3.49Å; V170-Q174 HydrophobicContact CG1-CG 4.42Å; V170-Q174 WeakPolarHBondContact O-CG 3.32Å; V170-Q174 PolarHBondContact O-N 3.32Å; V170-L205 HydrophobicContact CG2-CD1 4.46Å; V170-L205 HydrophobicContact CG2-CD2 3.86Å; V170-L205 HydrophobicContact CG2-CG 3.85Å
171D97.4Very high96.3Very high62 Ų6252.7 Ų52.733%0.33225%0.249SC..Hα-helixtrans-58-46.9177.1175.764.3000111.8K167 C173 Q174 K175K167-D171 PolarHBondContact O-N 3.46Å; D171-C173 PolarHBondContact O-N 3.09Å; D171-Q174 PolarHBondContact O-N 3.21Å; D171-K175 WeakPolarHBondContact O-CG 3.22Å; D171-K175 PolarHBondContact O-N 3.31Å; D171-K175 WeakPolarHBondContact OD1-CE 3.37Å; D171-K175 IonicContact OD1-NZ 3.95Å; D171-K175 WeakPolarHBondContact OD2-CE 3.43Å; D171-K175 IonicContact OD2-NZ 2.72Å; D171-K175 PolarHBondContact OD2-NZ 3.45Å
172L97.4Very high96.3Very high3 Ų352.3 Ų52.32%0.01625%0.251CS..Hα-helixtrans-59.7-48.2175.8174.360.1000111.4L132 L138 V139 F163 R168 T169 V170 Q174 K175 L176L132-L172 HydrophobicContact CD2-CD2 3.91Å; L138-L172 HydrophobicContact CD2-CD1 4.4Å; V139-L172 HydrophobicContact CG2-CD1 4.29Å; F163-L172 HydrophobicContact CE2-CB 4.28Å; F163-L172 HydrophobicContact CE2-CD2 3.7Å; F163-L172 HydrophobicContact CZ-CD2 4.01Å; R168-L172 WeakPolarHBondContact O-CB 3.45Å; R168-L172 PolarHBondContact O-N 3.03Å; T169-L172 PolarHBondContact O-N 2.78Å; V170-L172 PolarHBondContact O-N 3.27Å; L172-Q174 VanDerWaalsContact C-N 3.31Å; L172-Q174 PolarHBondContact O-N 2.85Å; L172-K175 PolarHBondContact O-N 3.37Å; L172-L176 HydrophobicContact CD1-CD1 4.03Å; L172-L176 HydrophobicContact CD1-CG 3.97Å; L172-L176 HydrophobicContact CG-CD1 3.96Å; L172-L176 HydrophobicContact CG-CG 4.35Å; L172-L176 WeakPolarHBondContact O-CB 3.36Å; L172-L176 WeakPolarHBondContact O-CG 3.34Å; L172-L176 PolarHBondContact O-N 3.33Å
173C97.9Very high96.4Very high0 Ų052 Ų520%025%0.249CC..Hα-helixtrans-56.2-44.8178.5-710000112T169 V170 D171 L176 E177 L184 I206 L210T169-C173 WeakPolarHBondContact O-CB 3.15Å; T169-C173 PolarHBondContact O-N 2.89Å; T169-C173 PolarHBondContact O-SG 3.07Å; V170-C173 WeakPolarHBondContact O-CB 3.44Å; V170-C173 PolarHBondContact O-N 3.49Å; D171-C173 PolarHBondContact O-N 3.09Å; C173-L176 PolarHBondContact O-N 3.09Å; C173-E177 PolarHBondContact O-N 2.89Å; C173-L184 HydrophobicContact CB-CD2 4.05Å; C173-L184 WeakPolarHBondContact SG-CD2 3.03Å; C173-I206 HydrophobicContact CB-CG2 4.36Å; C173-L210 HydrophobicContact CB-CD1 4.09Å; C173-L210 HydrophobicContact CB-CD2 4.02Å; C173-L210 HydrophobicContact CB-CG 4.42Å
174Q98.2Very high96.5Very high71 Ų7150.7 Ų50.733%0.33224%0.243SC..Hα-helixtrans-69.2-33.3178.4-71.5178.8-20.400113V170 D171 L172 R178 S209 L210V170-Q174 HydrophobicContact CG1-CG 4.42Å; V170-Q174 WeakPolarHBondContact O-CG 3.32Å; V170-Q174 PolarHBondContact O-N 3.32Å; D171-Q174 PolarHBondContact O-N 3.21Å; L172-Q174 VanDerWaalsContact C-N 3.31Å; L172-Q174 PolarHBondContact O-N 2.85Å; Q174-R178 WeakPolarHBondContact O-CG 3.24Å; Q174-R178 PolarHBondContact O-N 3.24Å; Q174-R178 VanDerWaalsContact O-N 3.15Å; Q174-R178 PolarHBondContact O-NE 3.44Å; Q174-R178 VanDerWaalsContact O-NE 3.17Å; Q174-S209 PolarHBondContact NE2-O 2.81Å; Q174-L210 HydrophobicContact CG-CD2 4.06Å
175K98Very high96.8Very high55 Ų5544.1 Ų44.124%0.23921%0.208CC..Hα-helixtrans-68-41.5172.8-73.1170.9174169.90111.4D136 V139 D171 L172 R178 A179D136-K175 IonicContact OD1-NZ 3.44Å; V139-K175 HydrophobicContact CG1-CB 4.32Å; V139-K175 HydrophobicContact CG2-CB 3.65Å; D171-K175 WeakPolarHBondContact O-CG 3.22Å; D171-K175 PolarHBondContact O-N 3.31Å; D171-K175 WeakPolarHBondContact OD1-CE 3.37Å; D171-K175 IonicContact OD1-NZ 3.95Å; D171-K175 WeakPolarHBondContact OD2-CE 3.43Å; D171-K175 IonicContact OD2-NZ 2.72Å; D171-K175 PolarHBondContact OD2-NZ 3.45Å; L172-K175 PolarHBondContact O-N 3.37Å; K175-R178 PolarHBondContact O-N 3.34Å; K175-A179 PolarHBondContact O-N 2.85Å
176L97.9Very high97Very high1 Ų140.5 Ų40.51%0.00519%0.189CC..Hα-helixtrans-64.9-39.7176.3-73.6174.4000112.8L138 V139 I142 I160 L172 C173 A179 G180 L181 L184L138-L176 HydrophobicContact CD2-CD2 4.2Å; L138-L176 HydrophobicContact CG-CD2 3.96Å; V139-L176 HydrophobicContact CG2-CD2 4.2Å; V139-L176 HydrophobicContact CG2-CG 4.5Å; I142-L176 HydrophobicContact CG1-CD2 4.07Å; I160-L176 HydrophobicContact CG2-CD1 4.31Å; L172-L176 HydrophobicContact CD1-CD1 4.03Å; L172-L176 HydrophobicContact CD1-CG 3.97Å; L172-L176 HydrophobicContact CG-CD1 3.96Å; L172-L176 HydrophobicContact CG-CG 4.35Å; L172-L176 WeakPolarHBondContact O-CB 3.36Å; L172-L176 WeakPolarHBondContact O-CG 3.34Å; L172-L176 PolarHBondContact O-N 3.33Å; C173-L176 PolarHBondContact O-N 3.09Å; L176-A179 WeakPolarHBondContact O-CB 3.38Å; L176-A179 PolarHBondContact O-N 2.86Å; L176-G180 PolarHBondContact O-N 3.41Å; L176-L181 HydrophobicContact CB-CD1 3.69Å; L176-L181 HydrophobicContact CB-CG 4.23Å; L176-L181 HydrophobicContact CD1-CD1 4.26Å; L176-L181 HydrophobicContact CD2-CD1 4.38Å; L176-L181 HydrophobicContact CG-CD1 4.35Å; L176-L181 PolarHBondContact O-N 3.31Å; L176-L184 HydrophobicContact CD1-CD1 4.21Å
177E97.8Very high97.1Very high40 Ų4038.7 Ų38.719%0.18718%0.179CC..Hα-helixtrans-58.8-49.3170.9173177.3-116.800111C173 A179 G180 L210 R211 I212C173-E177 PolarHBondContact O-N 2.89Å; E177-A179 VanDerWaalsContact C-N 3.25Å; E177-A179 PolarHBondContact O-N 3.44Å; E177-G180 WeakPolarHBondContact O-CA 3.28Å; E177-G180 PolarHBondContact O-N 3.03Å; E177-L210 HydrophobicContact CB-CD2 4.05Å; E177-R211 WeakPolarHBondContact OE1-CA 3.15Å; E177-R211 WeakPolarHBondContact OE1-CB 3.37Å; E177-R211 PolarHBondContact OE1-N 3.49Å; E177-I212 HydrophobicContact CB-CD1 4.12Å; E177-I212 HydrophobicContact CB-CG1 4.42Å; E177-I212 HydrophobicContact CG-CD1 4.42Å; E177-I212 HydrophobicContact CG-CG1 4.33Å; E177-I212 HydrophobicContact CG-CG2 4.15Å; E177-I212 PolarHBondContact OE1-N 3.08Å; E177-I212 VanDerWaalsContact OE1-N 3.11Å
178R97.5Very high97.1Very high177 Ų17730.6 Ų30.667%0.66814%0.144SC*.Hα-helixtrans-62.2-30.7177.6-75.7-178.8-77.2167.9-8.1113.4Q174 K175 G180Q174-R178 WeakPolarHBondContact O-CG 3.24Å; Q174-R178 PolarHBondContact O-N 3.24Å; Q174-R178 VanDerWaalsContact O-N 3.15Å; Q174-R178 PolarHBondContact O-NE 3.44Å; Q174-R178 VanDerWaalsContact O-NE 3.17Å; K175-R178 PolarHBondContact O-N 3.34Å; R178-G180 PolarHBondContact O-N 3.32Å
179A96.7Very high97.1Very high13 Ų1325.1 Ų25.111%0.10712%0.123CC..Hα-helixtrans-69.3-15.4173.400000113.1V139 I142 A143 K175 L176 E177V139-A179 HydrophobicContact CG1-CB 4.13Å; I142-A179 HydrophobicContact CB-CB 4.03Å; I142-A179 HydrophobicContact CG2-CB 3.75Å; A143-A179 WeakPolarHBondContact CA-O 3.39Å; A143-A179 HydrophobicContact CB-CB 4.07Å; K175-A179 PolarHBondContact O-N 2.85Å; L176-A179 WeakPolarHBondContact O-CB 3.38Å; L176-A179 PolarHBondContact O-N 2.86Å; E177-A179 VanDerWaalsContact C-N 3.25Å; E177-A179 PolarHBondContact O-N 3.44Å
180G95.1Very high97Very high24 Ų2425.3 Ų25.325%0.24712%0.124CC..THydrogen-bonded Turntrans102.331.3174.100000114.6R146 L176 E177 R178R146-G180 VanDerWaalsContact CZ-O 3.22Å; R146-G180 PolarHBondContact NE-O 3.45Å; R146-G180 PolarHBondContact NH2-O 3.4Å; L176-G180 PolarHBondContact O-N 3.41Å; E177-G180 WeakPolarHBondContact O-CA 3.28Å; E177-G180 PolarHBondContact O-N 3.03Å; R178-G180 PolarHBondContact O-N 3.32Å
181L96Very high96.6Very high6 Ų625.1 Ų25.13%0.03112%0.124CC..  trans-60.6141.9166.2-75.9-170.3000111.5I142 I156 A158 L176 L184 I212I142-L181 HydrophobicContact CD1-CD2 3.83Å; I142-L181 HydrophobicContact CG1-CD2 4.1Å; I142-L181 HydrophobicContact CG2-CD2 3.65Å; I142-L181 HydrophobicContact CG2-CG 3.97Å; I156-L181 HydrophobicContact CG2-CD2 4.2Å; A158-L181 HydrophobicContact CB-CD1 3.87Å; A158-L181 HydrophobicContact CB-CD2 4.24Å; L176-L181 HydrophobicContact CB-CD1 3.69Å; L176-L181 HydrophobicContact CB-CG 4.23Å; L176-L181 HydrophobicContact CD1-CD1 4.26Å; L176-L181 HydrophobicContact CD2-CD1 4.38Å; L176-L181 HydrophobicContact CG-CD1 4.35Å; L176-L181 PolarHBondContact O-N 3.31Å; L181-L184 HydrophobicContact CD1-CD1 3.79Å; L181-I212 HydrophobicContact CB-CD1 3.92Å
182S96Very high96.3Very high19 Ų1928.3 Ų28.313%0.13314%0.137CC..SBendtrans-78.1-40.5174.5-65.80000112.3R146 S155 I156 P213R146-S182 PolarHBondContact NH2-OG 2.84Å; S155-S182 WeakPolarHBondContact CA-OG 3.35Å; I156-S182 PolarHBondContact N-OG 2.87Å; I156-S182 WeakPolarHBondContact O-CB 3.43Å; I156-S182 PolarHBondContact O-N 2.91Å; S182-P213 WeakPolarHBondContact O-CD 3.31Å
183F97.4Very high95.9Very high0 Ų030.7 Ų30.70%015%0.148CC..EExtended strand (participates in β ladder)trans-156.9163.8174.266.2-90.6000109.5V18 L22 F56 I86 S157 P213 I215V18-F183 HydrophobicContact CG1-CD1 4.12Å; V18-F183 HydrophobicContact CG1-CE1 3.68Å; V18-F183 HydrophobicContact CG1-CZ 4.35Å; L22-F183 HydrophobicContact CD1-CB 3.84Å; L22-F183 HydrophobicContact CD1-CD1 4Å; L22-F183 HydrophobicContact CD1-CD2 4.16Å; L22-F183 HydrophobicContact CD1-CG 3.74Å; F56-F183 AromaticContact CZ-CE2 3.99Å; F56-F183 HydrophobicContact CZ-CE2 3.99Å; F56-F183 AromaticContact CZ-CZ 3.98Å; F56-F183 HydrophobicContact CZ-CZ 3.98Å; I86-F183 HydrophobicContact CD1-CE1 4.36Å; I86-F183 HydrophobicContact CD1-CZ 4.35Å; I86-F183 HydrophobicContact CG1-CZ 4.24Å; S157-F183 WeakPolarHBondContact CA-O 3.37Å; S157-F183 WeakPolarHBondContact CB-O 3.28Å; S157-F183 WeakPolarHBondContact OG-CZ 3.46Å; F183-P213 WeakPolarHBondContact CA-O 3.35Å; F183-P213 HydrophobicContact CB-CB 4.03Å; F183-P213 HydrophobicContact CB-CG 4.45Å; F183-P213 WeakPolarHBondContact CB-O 3.31Å; F183-I215 HydrophobicContact CD2-CD1 3.63Å; F183-I215 HydrophobicContact CD2-CG1 4.34Å; F183-I215 HydrophobicContact CE2-CD1 3.63Å
184L98.1Very high95.1Very high1 Ų135.7 Ų35.71%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-125.8131.7-177.6-17570.3000111.8A158 I160 C173 L176 L181 V186 I206 L210 I212 P213 V214 I215A158-L184 HydrophobicContact CB-CD1 4.29Å; I160-L184 HydrophobicContact CD1-CD1 4.37Å; I160-L184 HydrophobicContact CD1-CD2 4.16Å; I160-L184 HydrophobicContact CG1-CD1 4.29Å; I160-L184 HydrophobicContact CG2-CD1 4.34Å; C173-L184 HydrophobicContact CB-CD2 4.05Å; C173-L184 WeakPolarHBondContact SG-CD2 3.03Å; L176-L184 HydrophobicContact CD1-CD1 4.21Å; L181-L184 HydrophobicContact CD1-CD1 3.79Å; L184-V186 HydrophobicContact CD2-CG2 3.92Å; L184-V186 HydrophobicContact CG-CG2 4.07Å; L184-I206 HydrophobicContact CD2-CG2 4.4Å; L184-L210 HydrophobicContact CD2-CD1 3.91Å; L184-I212 HydrophobicContact CB-CD1 4.36Å; L184-P213 PolarHBondContact N-O 3.13Å; L184-V214 CarbonylContact O-C 3.54Å; L184-V214 WeakPolarHBondContact O-CA 3.2Å; L184-I215 PolarHBondContact O-N 3.37Å
185T98.3Very high94.3Very high0 Ų043.3 Ų43.30%020%0.2CC..EExtended strand (participates in β ladder)trans-102.9125.5170.5-56.30000110.5A158 K159 I160 I215 N217 M239A158-T185 PolarHBondContact O-N 3.46Å; K159-T185 WeakPolarHBondContact CA-O 3.25Å; K159-T185 HydrophobicContact CD-CG2 4.26Å; K159-T185 HydrophobicContact CG-CG2 3.88Å; I160-T185 PolarHBondContact N-O 3.47Å; T185-I215 WeakPolarHBondContact CA-O 3.49Å; T185-I215 HydrophobicContact CG2-CB 4.22Å; T185-I215 HydrophobicContact CG2-CG2 4.14Å; T185-N217 HydrophobicContact CG2-CB 4.19Å; T185-M239 HydrophobicContact CG2-CE 3.7Å; T185-M239 HydrophobicContact CG2-SD 3.82Å
186V97.8Very high93.9Very high0 Ų044.8 Ų44.80%021%0.208CC..EExtended strand (participates in β ladder)trans-114.8125.3-179.6-1750000110.2I160 I162 L184 F203 I206 V214 I215 N217I160-V186 HydrophobicContact CD1-CG2 4.31Å; I160-V186 HydrophobicContact CG1-CG1 4.47Å; I160-V186 HydrophobicContact CG1-CG2 4.12Å; I162-V186 HydrophobicContact CG2-CG1 3.7Å; L184-V186 HydrophobicContact CD2-CG2 3.92Å; L184-V186 HydrophobicContact CG-CG2 4.07Å; V186-F203 HydrophobicContact CB-CD1 4.34Å; V186-F203 HydrophobicContact CB-CE1 4.26Å; V186-F203 HydrophobicContact CG1-CD1 4.44Å; V186-F203 HydrophobicContact CG1-CE1 4.23Å; V186-F203 VanDerWaalsContact O-CE1 3.32Å; V186-F203 WeakPolarHBondContact O-CE1 3.45Å; V186-I206 HydrophobicContact CB-CD1 4.33Å; V186-I206 HydrophobicContact CG1-CD1 3.75Å; V186-I206 HydrophobicContact CG2-CD1 3.88Å; V186-I206 HydrophobicContact CG2-CG2 4.25Å; V186-V214 HydrophobicContact CG2-CG1 4.42Å; V186-I215 PolarHBondContact N-O 3.49Å; V186-N217 WeakPolarHBondContact O-CB 3.49Å; V186-N217 PolarHBondContact O-N 3.44Å
187H96.6Very high93.6Very high21 Ų2149.9 Ų49.910%0.09724%0.241CC..EExtended strand (participates in β ladder)trans-91.7115.9164.3-174-175.7000109.1I160 R161 R189 N217I160-H187 PolarHBondContact O-N 2.92Å; R161-H187 HydrophobicContact CG-CB 4.06Å; H187-R189 PolarHBondContact O-N 2.94Å; H187-N217 WeakPolarHBondContact CA-O 3.4Å; H187-N217 HydrophobicContact CB-CB 4.44Å; H187-N217 PolarHBondContact CD2-O 3.01Å; H187-N217 VanDerWaalsContact CD2-O 3.28Å
188G95.6Very high93.3Very high0 Ų048.7 Ų48.70%024%0.236CC..SBendtrans-73.940.9-176.700000114.6V198 D199 N217G188-V198 WeakPolarHBondContact O-CA 3.47Å; G188-D199 PolarHBondContact O-N 2.87Å; G188-N217 PolarHBondContact N-O 3.08Å
189R94.9Very high93.1Very high10 Ų1043.5 Ų43.54%0.03822%0.222CC..SBendtrans-134.2145.6172.4-79.2-177.8173120.4-4.4109.3R161 I162 H187 Q193 E196 V198 D219R161-R189 WeakPolarHBondContact CB-O 3.41Å; R161-R189 WeakPolarHBondContact CD-O 3.34Å; R161-R189 VanDerWaalsContact CG-O 3.31Å; R161-R189 WeakPolarHBondContact CG-O 3.37Å; I162-R189 PolarHBondContact N-O 3.47Å; H187-R189 PolarHBondContact O-N 2.94Å; R189-Q193 HydrophobicContact CB-CB 4.04Å; R189-Q193 HydrophobicContact CG-CB 4.24Å; R189-E196 PolarHBondContact NE-O 2.95Å; R189-E196 PolarHBondContact NH2-O 3.11Å; R189-V198 HydrophobicContact CG-CG2 4.01Å; R189-D219 IonicContact CZ-OD1 3.75Å; R189-D219 IonicContact CZ-OD2 3.45Å; R189-D219 IonicContact NH1-OD1 2.8Å; R189-D219 PolarHBondContact NH1-OD1 3.44Å; R189-D219 IonicContact NH1-OD2 3.33Å; R189-D219 IonicContact NH2-OD1 3.11Å; R189-D219 PolarHBondContact NH2-OD1 2.94Å; R189-D219 IonicContact NH2-OD2 3.81Å; R189-D219 PolarHBondContact NH2-OD2 3.49Å
190T94.2Very high92.9Very high5 Ų544.5 Ų44.53%0.03123%0.226CC..  trans-70.4160.4170.173.20000111.1R161 I162 D164 E192 Q193R161-T190 PolarHBondContact NH1-O 3Å; I162-T190 HydrophobicContact CG1-CG2 4.15Å; I162-T190 WeakPolarHBondContact O-CA 3.45Å; D164-T190 WeakPolarHBondContact OD1-CG2 3.3Å; T190-E192 WeakPolarHBondContact CB-OE2 3.49Å; T190-E192 PolarHBondContact O-N 2.84Å; T190-E192 PolarHBondContact OG1-OE2 2.69Å; T190-Q193 PolarHBondContact O-N 3.07Å; T190-Q193 VanDerWaalsContact OG1-CG 3.27Å; T190-Q193 WeakPolarHBondContact OG1-CG 3.31Å; T190-Q193 PolarHBondContact OG1-N 3.31Å
191P90.7Very high92.7Very high20 Ų2045.7 Ų45.713%0.1324%0.239CC..SBendtrans-54.2-31.8174.6-27.436.7000114.3P118 L132 R161P118-P191 HydrophobicContact CB-CB 4.42Å; L132-P191 HydrophobicContact CD1-CG 4.04Å; R161-P191 HydrophobicContact CB-CG 4.31Å
192E90.2Very high92.6Very high129 Ų12945.4 Ų45.460%0.60324%0.237SC*.SBendtrans-75.6-30.8-179.2-59.968.1-143.600111.8T190 N194T190-E192 WeakPolarHBondContact CB-OE2 3.49Å; T190-E192 PolarHBondContact O-N 2.84Å; T190-E192 PolarHBondContact OG1-OE2 2.69Å; E192-N194 PolarHBondContact O-ND2 2.63Å
193Q89.9Confident92.7Very high53 Ų5344.5 Ų44.525%0.24823%0.231CC..  trans-74.1126.3178.8-72.1170.3-14.200112.1R161 R189 T190 E196R161-Q193 PolarHBondContact NH1-O 2.97Å; R189-Q193 HydrophobicContact CB-CB 4.04Å; R189-Q193 HydrophobicContact CG-CB 4.24Å; T190-Q193 PolarHBondContact O-N 3.07Å; T190-Q193 VanDerWaalsContact OG1-CG 3.27Å; T190-Q193 WeakPolarHBondContact OG1-CG 3.31Å; T190-Q193 PolarHBondContact OG1-N 3.31Å; Q193-E196 WeakPolarHBondContact CA-OE2 3.49Å; Q193-E196 HydrophobicContact CB-CB 4.26Å; Q193-E196 HydrophobicContact CB-CG 4.42Å; Q193-E196 WeakPolarHBondContact CB-OE2 3.22Å; Q193-E196 HydrophobicContact CG-CB 4.03Å; Q193-E196 HydrophobicContact CG-CG 3.98Å
194N79.6Confident92.6Very high104 Ų10449.4 Ų49.456%0.55625%0.252SS*.SBendtrans-115-38.5-179.3-73.3-68.9000113.6E192 E196E192-N194 PolarHBondContact O-ND2 2.63Å; N194-E196 PolarHBondContact N-OE2 3.01Å
195R81.6Confident92.5Very high231 Ų23153 Ų5387%0.87227%0.271SS*.SBendtrans-133.2-10.6-172.3-64.7-176.4-178.3176.31.3113.5
196E90.7Very high92.5Very high86 Ų8653 Ų5340%0.40227%0.271SS..SBendtrans-58146.7177.1-63.879.1-178.900109.7R189 Q193 N194R189-E196 PolarHBondContact NE-O 2.95Å; R189-E196 PolarHBondContact NH2-O 3.11Å; Q193-E196 WeakPolarHBondContact CA-OE2 3.49Å; Q193-E196 HydrophobicContact CB-CB 4.26Å; Q193-E196 HydrophobicContact CB-CG 4.42Å; Q193-E196 WeakPolarHBondContact CB-OE2 3.22Å; Q193-E196 HydrophobicContact CG-CB 4.03Å; Q193-E196 HydrophobicContact CG-CG 3.98Å; N194-E196 PolarHBondContact N-OE2 3.01Å
197P90.6Very high92.4Very high109 Ų10956 Ų5671%0.70828%0.282SS*.PPolyproline II helixtrans-55.6146.2176.9-23.934.2000112.3
198V92.8Very high92.4Very high14 Ų1459.4 Ų59.49%0.08530%0.302CS..PPolyproline II helixtrans-70.1134.5172.6168.70000110G188 R189 V200 F203 D219G188-V198 WeakPolarHBondContact O-CA 3.47Å; R189-V198 HydrophobicContact CG-CG2 4.01Å; V198-V200 PolarHBondContact O-N 2.78Å; V198-F203 HydrophobicContact CG1-CE2 3.79Å; V198-F203 HydrophobicContact CG1-CZ 3.69Å; V198-D219 HydrophobicContact CB-CB 4.19Å; V198-D219 HydrophobicContact CG2-CB 3.76Å; V198-D219 PolarHBondContact N-OD2 3.35Å
199D92.1Very high92.4Very high69 Ų6960.7 Ų60.737%0.36931%0.31SS..  trans-75.4103.1169.7-174.5-13.7000109.1I162 G188 G201 V202I162-D199 HydrophobicContact CD1-CB 4.42Å; G188-D199 PolarHBondContact O-N 2.87Å; D199-G201 PolarHBondContact OD1-N 2.91Å; D199-V202 HydrophobicContact CB-CG1 4.49Å; D199-V202 WeakPolarHBondContact O-CG1 3.44Å; D199-V202 PolarHBondContact OD1-N 3.39Å
200V92.2Very high92.5Very high33 Ų3361 Ų6120%0.231%0.313CS..SBendtrans-75.5-28.1179.9-1760000111.5V198 V202 F203 Y229 T233V198-V200 PolarHBondContact O-N 2.78Å; V200-V202 VanDerWaalsContact C-N 3.26Å; V200-V202 PolarHBondContact O-N 2.98Å; V200-F203 HydrophobicContact CG1-CD2 4.25Å; V200-F203 WeakPolarHBondContact O-CD2 3.5Å; V200-F203 PolarHBondContact O-N 3.07Å; V200-Y229 HydrophobicContact CG1-CE1 4.45Å; V200-Y229 HydrophobicContact CG2-CE1 4.01Å; V200-Y229 HydrophobicContact CG2-CE2 4.43Å; V200-Y229 WeakPolarHBondContact CG2-OH 3.28Å; V200-T233 HydrophobicContact CG1-CG2 3.77Å; V200-T233 WeakPolarHBondContact O-CG2 3.39Å
201G91.4Very high92.6Very high49 Ų4971.6 Ų71.651%0.50535%0.352SS..Hα-helixtrans-64.8-32.2-177.800000112.4D199 F203 K204 L205D199-G201 PolarHBondContact OD1-N 2.91Å; G201-F203 PolarHBondContact O-N 3.24Å; G201-K204 PolarHBondContact O-N 3.38Å; G201-L205 PolarHBondContact O-N 3.01Å
202V94.8Very high92.9Very high1 Ų171.9 Ų71.91%0.00635%0.352CS..Hα-helixtrans-61-31179.282.40000113.3I162 L166 D199 V200 K204 L205 I206I162-V202 HydrophobicContact CD1-CG1 4.5Å; I162-V202 HydrophobicContact CG2-CG1 4.11Å; I162-V202 HydrophobicContact CG2-CG2 4.03Å; L166-V202 HydrophobicContact CD2-CB 4.44Å; L166-V202 HydrophobicContact CD2-CG2 3.58Å; D199-V202 HydrophobicContact CB-CG1 4.49Å; D199-V202 WeakPolarHBondContact O-CG1 3.44Å; D199-V202 PolarHBondContact OD1-N 3.39Å; V200-V202 VanDerWaalsContact C-N 3.26Å; V200-V202 PolarHBondContact O-N 2.98Å; V202-K204 VanDerWaalsContact C-N 3.34Å; V202-K204 PolarHBondContact O-N 2.87Å; V202-L205 PolarHBondContact O-N 2.86Å; V202-I206 HydrophobicContact CG2-CD1 3.92Å; V202-I206 HydrophobicContact CG2-CG1 4.33Å; V202-I206 WeakPolarHBondContact O-CG1 3.3Å; V202-I206 PolarHBondContact O-N 3.3Å
203F96.5Very high93.2Very high0 Ų065.8 Ų65.80%032%0.324CS..Hα-helixtrans-66.4-39.6-179-58.7-47.4000111.5V186 V198 V200 G201 I206 R207 A216 Y229 T233 V235V186-F203 HydrophobicContact CB-CD1 4.34Å; V186-F203 HydrophobicContact CB-CE1 4.26Å; V186-F203 HydrophobicContact CG1-CD1 4.44Å; V186-F203 HydrophobicContact CG1-CE1 4.23Å; V186-F203 VanDerWaalsContact O-CE1 3.32Å; V186-F203 WeakPolarHBondContact O-CE1 3.45Å; V198-F203 HydrophobicContact CG1-CE2 3.79Å; V198-F203 HydrophobicContact CG1-CZ 3.69Å; V200-F203 HydrophobicContact CG1-CD2 4.25Å; V200-F203 WeakPolarHBondContact O-CD2 3.5Å; V200-F203 PolarHBondContact O-N 3.07Å; G201-F203 PolarHBondContact O-N 3.24Å; F203-I206 PolarHBondContact O-N 3.46Å; F203-R207 WeakPolarHBondContact O-CB 3.38Å; F203-R207 PolarHBondContact O-N 3.02Å; F203-A216 HydrophobicContact CB-CB 4.46Å; F203-A216 HydrophobicContact CD1-CB 3.9Å; F203-A216 HydrophobicContact CD2-CB 3.84Å; F203-A216 HydrophobicContact CE1-CB 4.06Å; F203-A216 HydrophobicContact CE2-CB 3.99Å; F203-A216 HydrophobicContact CG-CB 3.8Å; F203-A216 HydrophobicContact CZ-CB 4.1Å; F203-Y229 HydrophobicContact CD2-CD2 4.31Å; F203-Y229 HydrophobicContact CD2-CE2 4.23Å; F203-Y229 HydrophobicContact CE2-CD2 4.05Å; F203-Y229 AromaticContact CE2-CE2 3.57Å; F203-Y229 HydrophobicContact CE2-CE2 3.57Å; F203-Y229 HydrophobicContact CZ-CE2 4.43Å; F203-T233 HydrophobicContact CB-CG2 3.89Å; F203-T233 HydrophobicContact CD2-CG2 4.36Å; F203-V235 HydrophobicContact CB-CG1 3.94Å
204K95.9Very high93.6Very high103 Ų10363.3 Ų63.345%0.44831%0.312SS..Hα-helixtrans-63.6-48.1175.6-173.5171.6-179.3171.60110.6G201 V202 I206 R207 D208G201-K204 PolarHBondContact O-N 3.38Å; V202-K204 VanDerWaalsContact C-N 3.34Å; V202-K204 PolarHBondContact O-N 2.87Å; K204-I206 VanDerWaalsContact C-N 3.35Å; K204-I206 PolarHBondContact O-N 2.9Å; K204-R207 PolarHBondContact O-N 3.33Å; K204-D208 WeakPolarHBondContact CG-OD2 2.93Å; K204-D208 WeakPolarHBondContact O-CB 3.47Å; K204-D208 PolarHBondContact O-N 3.26Å
205L96.6Very high94.5Very high76 Ų7658.4 Ų58.440%0.39829%0.286SS..Hα-helixtrans-55.7-47.5177.517865.9000112.1L166 V170 G201 V202 S209L166-L205 HydrophobicContact CB-CD2 4.14Å; L166-L205 HydrophobicContact CD1-CD2 4.24Å; V170-L205 HydrophobicContact CG2-CD1 4.46Å; V170-L205 HydrophobicContact CG2-CD2 3.86Å; V170-L205 HydrophobicContact CG2-CG 3.85Å; G201-L205 PolarHBondContact O-N 3.01Å; V202-L205 PolarHBondContact O-N 2.86Å; L205-S209 WeakPolarHBondContact O-CB 3.38Å; L205-S209 PolarHBondContact O-N 3.24Å; L205-S209 PolarHBondContact O-OG 3.29Å
206I97.1Very high95.2Very high0 Ų047.4 Ų47.40%024%0.244CC..Hα-helixtrans-68.8-44-179.8-66.7169.2000110.7T169 C173 L184 V186 V202 F203 K204 D208 S209 L210 V214T169-I206 HydrophobicContact CG2-CD1 3.8Å; T169-I206 HydrophobicContact CG2-CG1 4.48Å; C173-I206 HydrophobicContact CB-CG2 4.36Å; L184-I206 HydrophobicContact CD2-CG2 4.4Å; V186-I206 HydrophobicContact CB-CD1 4.33Å; V186-I206 HydrophobicContact CG1-CD1 3.75Å; V186-I206 HydrophobicContact CG2-CD1 3.88Å; V186-I206 HydrophobicContact CG2-CG2 4.25Å; V202-I206 HydrophobicContact CG2-CD1 3.92Å; V202-I206 HydrophobicContact CG2-CG1 4.33Å; V202-I206 WeakPolarHBondContact O-CG1 3.3Å; V202-I206 PolarHBondContact O-N 3.3Å; F203-I206 PolarHBondContact O-N 3.46Å; K204-I206 VanDerWaalsContact C-N 3.35Å; K204-I206 PolarHBondContact O-N 2.9Å; I206-D208 VanDerWaalsContact C-N 3.32Å; I206-D208 PolarHBondContact O-N 3.46Å; I206-S209 WeakPolarHBondContact CA-OG 3.28Å; I206-S209 PolarHBondContact O-N 3.32Å; I206-S209 PolarHBondContact O-OG 3.37Å; I206-L210 HydrophobicContact CG2-CD1 3.75Å; I206-L210 HydrophobicContact CG2-CG 4.35Å; I206-L210 WeakPolarHBondContact O-CG 3.38Å; I206-L210 PolarHBondContact O-N 2.98Å; I206-V214 HydrophobicContact CG2-CG1 4.33Å; I206-V214 HydrophobicContact CG2-CG2 4.28Å
207R95.6Very high95.6Very high62 Ų6243.8 Ų43.823%0.23423%0.228CC..Hα-helixtrans-60.2-40.4177.5-173-85.5-55.9151.519.9112.1F203 K204 S209 V214 T233 G234 V235F203-R207 WeakPolarHBondContact O-CB 3.38Å; F203-R207 PolarHBondContact O-N 3.02Å; K204-R207 PolarHBondContact O-N 3.33Å; R207-S209 PolarHBondContact O-N 2.91Å; R207-V214 HydrophobicContact CB-CB 4.42Å; R207-V214 HydrophobicContact CB-CG2 4.41Å; R207-T233 PolarHBondContact NE-O 2.91Å; R207-T233 PolarHBondContact NH2-O 2.92Å; R207-G234 WeakPolarHBondContact CD-O 3.16Å; R207-G234 WeakPolarHBondContact CG-O 3.35Å; R207-V235 HydrophobicContact CB-CG1 4.47Å
208D96.5Very high95.7Very high94 Ų9438.9 Ų38.950%0.50320%0.198SC..Hα-helixtrans-67.5-24.1174.6-76-39.5000112.7K204 I206K204-D208 WeakPolarHBondContact CG-OD2 2.93Å; K204-D208 WeakPolarHBondContact O-CB 3.47Å; K204-D208 PolarHBondContact O-N 3.26Å; I206-D208 VanDerWaalsContact C-N 3.32Å; I206-D208 PolarHBondContact O-N 3.46Å
209S97Very high95.6Very high26 Ų2640.7 Ų40.718%0.18221%0.207CC..Hα-helixtrans-90.2-9.2-176.174.50000115.3Q174 L205 I206 R207Q174-S209 PolarHBondContact NE2-O 2.81Å; L205-S209 WeakPolarHBondContact O-CB 3.38Å; L205-S209 PolarHBondContact O-N 3.24Å; L205-S209 PolarHBondContact O-OG 3.29Å; I206-S209 WeakPolarHBondContact CA-OG 3.28Å; I206-S209 PolarHBondContact O-N 3.32Å; I206-S209 PolarHBondContact O-OG 3.37Å; R207-S209 PolarHBondContact O-N 2.91Å
210L97.1Very high95.7Very high17 Ų1737.8 Ų37.89%0.08919%0.192CC..  trans-125.7154-173.9-58.3179.5000111.4C173 Q174 E177 L184 I206 I212 V214C173-L210 HydrophobicContact CB-CD1 4.09Å; C173-L210 HydrophobicContact CB-CD2 4.02Å; C173-L210 HydrophobicContact CB-CG 4.42Å; Q174-L210 HydrophobicContact CG-CD2 4.06Å; E177-L210 HydrophobicContact CB-CD2 4.05Å; L184-L210 HydrophobicContact CD2-CD1 3.91Å; I206-L210 HydrophobicContact CG2-CD1 3.75Å; I206-L210 HydrophobicContact CG2-CG 4.35Å; I206-L210 WeakPolarHBondContact O-CG 3.38Å; I206-L210 PolarHBondContact O-N 2.98Å; L210-I212 HydrophobicContact CB-CG1 4.25Å; L210-I212 HydrophobicContact CD1-CG1 4.27Å; L210-V214 HydrophobicContact CD1-CG2 3.91Å
211R96Very high95.8Very high228 Ų22843.6 Ų43.686%0.8621%0.214SC*.SBendtrans-96-25.5171-58.9179.7179.5-179.5-0.4112.3E177E177-R211 WeakPolarHBondContact OE1-CA 3.15Å; E177-R211 WeakPolarHBondContact OE1-CB 3.37Å; E177-R211 PolarHBondContact OE1-N 3.49Å
212I96.2Very high95.9Very high26 Ų2642.9 Ų42.913%0.13320%0.201CC..SBendtrans-74.8153.6174.961.7171.1000111.8E177 L181 L184 L210E177-I212 HydrophobicContact CB-CD1 4.12Å; E177-I212 HydrophobicContact CB-CG1 4.42Å; E177-I212 HydrophobicContact CG-CD1 4.42Å; E177-I212 HydrophobicContact CG-CG1 4.33Å; E177-I212 HydrophobicContact CG-CG2 4.15Å; E177-I212 PolarHBondContact OE1-N 3.08Å; E177-I212 VanDerWaalsContact OE1-N 3.11Å; L181-I212 HydrophobicContact CB-CD1 3.92Å; L184-I212 HydrophobicContact CB-CD1 4.36Å; L210-I212 HydrophobicContact CB-CG1 4.25Å; L210-I212 HydrophobicContact CD1-CG1 4.27Å
213P97.3Very high95.9Very high1 Ų144.3 Ų44.31%0.00621%0.209CC..  trans-60.7145177.4-24.635.3000113.4V19 L22 Q23 S182 F183 L184 H236V19-P213 HydrophobicContact CG1-CG 4.12Å; L22-P213 HydrophobicContact CB-CB 3.74Å; L22-P213 HydrophobicContact CB-CG 3.97Å; L22-P213 HydrophobicContact CD1-CB 3.89Å; L22-P213 HydrophobicContact CD1-CG 4.41Å; L22-P213 HydrophobicContact CG-CB 4.36Å; Q23-P213 HydrophobicContact CG-CG 3.86Å; S182-P213 WeakPolarHBondContact O-CD 3.31Å; F183-P213 WeakPolarHBondContact CA-O 3.35Å; F183-P213 HydrophobicContact CB-CB 4.03Å; F183-P213 HydrophobicContact CB-CG 4.45Å; F183-P213 WeakPolarHBondContact CB-O 3.31Å; L184-P213 PolarHBondContact N-O 3.13Å; P213-H236 HydrophobicContact CB-CB 4.01Å
214V97.8Very high95.9Very high1 Ų148.7 Ų48.71%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-120131.1179.2-179.40000109.9L184 V186 I206 R207 L210 V235 H236 G237L184-V214 CarbonylContact O-C 3.54Å; L184-V214 WeakPolarHBondContact O-CA 3.2Å; V186-V214 HydrophobicContact CG2-CG1 4.42Å; I206-V214 HydrophobicContact CG2-CG1 4.33Å; I206-V214 HydrophobicContact CG2-CG2 4.28Å; R207-V214 HydrophobicContact CB-CB 4.42Å; R207-V214 HydrophobicContact CB-CG2 4.41Å; L210-V214 HydrophobicContact CD1-CG2 3.91Å; V214-V235 HydrophobicContact CG1-CG1 4.26Å; V214-H236 PolarHBondContact N-ND1 3.27Å; V214-H236 PolarHBondContact O-N 2.86Å; V214-G237 PolarHBondContact O-N 3.46Å
215I98Very high95.8Very high0 Ų046.3 Ų46.30%023%0.231CC..EExtended strand (participates in β ladder)trans-109.3122175.6-58.7174.2000109.3L22 V31 L54 F183 L184 T185 V186 G237 M239L22-I215 HydrophobicContact CD1-CD1 4.22Å; L22-I215 HydrophobicContact CD2-CD1 3.96Å; L22-I215 HydrophobicContact CD2-CG1 3.93Å; V31-I215 HydrophobicContact CG2-CD1 4.29Å; V31-I215 HydrophobicContact CG2-CG2 4.27Å; L54-I215 HydrophobicContact CD2-CD1 4.41Å; F183-I215 HydrophobicContact CD2-CD1 3.63Å; F183-I215 HydrophobicContact CD2-CG1 4.34Å; F183-I215 HydrophobicContact CE2-CD1 3.63Å; L184-I215 PolarHBondContact O-N 3.37Å; T185-I215 WeakPolarHBondContact CA-O 3.49Å; T185-I215 HydrophobicContact CG2-CB 4.22Å; T185-I215 HydrophobicContact CG2-CG2 4.14Å; V186-I215 PolarHBondContact N-O 3.49Å; I215-G237 CarbonylContact C-O 3.56Å; I215-G237 VanDerWaalsContact CA-O 3.29Å; I215-G237 WeakPolarHBondContact CA-O 3.35Å; I215-M239 HydrophobicContact CG2-CB 3.74Å
216A97.9Very high95.7Very high0 Ų042.7 Ų42.70%021%0.212CC..EExtended strand (participates in β ladder)trans-81.2142.3175.800000111.6F203 Y229 V235 G237 V238 M239F203-A216 HydrophobicContact CB-CB 4.46Å; F203-A216 HydrophobicContact CD1-CB 3.9Å; F203-A216 HydrophobicContact CD2-CB 3.84Å; F203-A216 HydrophobicContact CE1-CB 4.06Å; F203-A216 HydrophobicContact CE2-CB 3.99Å; F203-A216 HydrophobicContact CG-CB 3.8Å; F203-A216 HydrophobicContact CZ-CB 4.1Å; A216-Y229 HydrophobicContact CB-CD2 4.04Å; A216-V235 HydrophobicContact CB-CB 4.43Å; A216-V235 HydrophobicContact CB-CG1 4.22Å; A216-V235 HydrophobicContact CB-CG2 3.96Å; A216-G237 PolarHBondContact N-O 2.76Å; A216-V238 WeakPolarHBondContact O-CA 3.25Å; A216-M239 PolarHBondContact O-N 2.79Å
217N97.3Very high95.6Very high10 Ų1045.7 Ų45.75%0.05323%0.227CC..EExtended strand (participates in β ladder)trans-140.2138.9176.2179.9-123.4000112.1K159 T185 V186 H187 G188 M239K159-N217 WeakPolarHBondContact CE-OD1 3.41Å; K159-N217 PolarHBondContact NZ-OD1 2.7Å; T185-N217 HydrophobicContact CG2-CB 4.19Å; V186-N217 WeakPolarHBondContact O-CB 3.49Å; V186-N217 PolarHBondContact O-N 3.44Å; H187-N217 WeakPolarHBondContact CA-O 3.4Å; H187-N217 HydrophobicContact CB-CB 4.44Å; H187-N217 PolarHBondContact CD2-O 3.01Å; H187-N217 VanDerWaalsContact CD2-O 3.28Å; G188-N217 PolarHBondContact N-O 3.08Å; N217-M239 HydrophobicContact CB-CB 4.12Å; N217-M239 PolarHBondContact ND2-O 3.44Å
218G93.6Very high95.5Very high7 Ų744.7 Ų44.77%0.07223%0.229CC..SBendtrans126140.4172.800000112.5V220 Y229G218-V220 WeakPolarHBondContact O-CG2 3.4Å; G218-V220 PolarHBondContact O-N 2.92Å; G218-Y229 PolarHBondContact O-OH 2.75Å
219D91.6Very high95.4Very high51 Ų5141.2 Ų41.227%0.27321%0.209SC..SBendtrans53.113.8172.9-69.5-2.4000119.2R189 V198 R242R189-D219 IonicContact CZ-OD1 3.75Å; R189-D219 IonicContact CZ-OD2 3.45Å; R189-D219 IonicContact NH1-OD1 2.8Å; R189-D219 PolarHBondContact NH1-OD1 3.44Å; R189-D219 IonicContact NH1-OD2 3.33Å; R189-D219 IonicContact NH2-OD1 3.11Å; R189-D219 PolarHBondContact NH2-OD1 2.94Å; R189-D219 IonicContact NH2-OD2 3.81Å; R189-D219 PolarHBondContact NH2-OD2 3.49Å; V198-D219 HydrophobicContact CB-CB 4.19Å; V198-D219 HydrophobicContact CG2-CB 3.76Å; V198-D219 PolarHBondContact N-OD2 3.35Å; D219-R242 IonicContact OD1-NH2 2.72Å
220V94.1Very high95.2Very high9 Ų940.5 Ų40.56%0.05521%0.206CC..  trans-77.3123.3171-172.80000110.8G218 D225 V226 Y229 V238 V240 A243G218-V220 WeakPolarHBondContact O-CG2 3.4Å; G218-V220 PolarHBondContact O-N 2.92Å; V220-D225 HydrophobicContact CB-CB 4.43Å; V220-D225 HydrophobicContact CG1-CB 3.74Å; V220-V226 HydrophobicContact CG1-CB 4.47Å; V220-V226 HydrophobicContact CG1-CG2 3.49Å; V220-V226 VanDerWaalsContact CG1-CG2 3.49Å; V220-Y229 HydrophobicContact CG2-CD2 4.04Å; V220-Y229 HydrophobicContact CG2-CE2 3.88Å; V220-Y229 HydrophobicContact CG2-CG 4.41Å; V220-V238 HydrophobicContact CB-CG1 4.41Å; V220-V238 HydrophobicContact CG1-CG1 4.14Å; V220-V238 HydrophobicContact CG2-CG1 3.63Å; V220-V240 HydrophobicContact CB-CG2 4.19Å; V220-V240 HydrophobicContact CG1-CG2 3.77Å; V220-A243 WeakPolarHBondContact O-CB 2.95Å
221K93.1Very high95.1Very high155 Ų15547 Ų4767%0.67424%0.236SC*.  trans-123-11.5-173.9-63.1175-171.9169.20114.4D225 L250K221-D225 WeakPolarHBondContact CA-OD2 3.4Å; K221-D225 WeakPolarHBondContact CB-OD2 3.34Å; K221-D225 PolarHBondContact N-OD2 3.37Å; K221-L250 WeakPolarHBondContact O-CD1 3.4Å
222S94Very high94.9Very high33 Ų3341.5 Ų41.523%0.23122%0.22CC..SBendtrans-148.9166.6-177.266.30000111.6C224 D225 V226S222-C224 PolarHBondContact O-N 3.28Å; S222-C224 PolarHBondContact OG-N 3.22Å; S222-D225 PolarHBondContact N-OD2 3.46Å; S222-D225 WeakPolarHBondContact O-CB 3.33Å; S222-D225 PolarHBondContact O-N 3.41Å; S222-D225 PolarHBondContact OG-N 3.07Å; S222-D225 PolarHBondContact OG-OD2 2.92Å; S222-V226 PolarHBondContact O-N 3.39Å
223L95.5Very high94.9Very high32 Ų3240.4 Ų40.417%0.16821%0.214CC..Hα-helixtrans-61-35.2170.8-177.461.5000111.9Y30 D225 V226 I227Y30-L223 HydrophobicContact CE1-CD1 3.96Å; Y30-L223 HydrophobicContact CE2-CD1 4.02Å; L223-D225 VanDerWaalsContact C-N 3.28Å; L223-D225 PolarHBondContact O-N 3.36Å; L223-V226 HydrophobicContact CD1-CB 4.48Å; L223-V226 WeakPolarHBondContact O-CB 3.27Å; L223-V226 PolarHBondContact O-N 3.31Å; L223-V226 VanDerWaalsContact O-N 3.16Å; L223-I227 HydrophobicContact CG-CD1 4.11Å; L223-I227 WeakPolarHBondContact O-CG1 3.15Å; L223-I227 PolarHBondContact O-N 3.46Å
224C95.1Very high94.7Very high92 Ų9242.2 Ų42.262%0.62223%0.233SC*.Hα-helixtrans-60.3-39.7175.1-61.50000111.7S222 V226 I227 S228S222-C224 PolarHBondContact O-N 3.28Å; S222-C224 PolarHBondContact OG-N 3.22Å; C224-V226 VanDerWaalsContact C-N 3.34Å; C224-I227 PolarHBondContact O-N 2.79Å; C224-S228 WeakPolarHBondContact O-CB 3.24Å; C224-S228 PolarHBondContact O-N 3.29Å
225D94.6Very high94.6Very high53 Ų5342.5 Ų42.528%0.28324%0.235SC..Hα-helixtrans-65.4-39.1176.3-58.2-38.9000111.4V220 K221 S222 L223 S228 Y229V220-D225 HydrophobicContact CB-CB 4.43Å; V220-D225 HydrophobicContact CG1-CB 3.74Å; K221-D225 WeakPolarHBondContact CA-OD2 3.4Å; K221-D225 WeakPolarHBondContact CB-OD2 3.34Å; K221-D225 PolarHBondContact N-OD2 3.37Å; S222-D225 PolarHBondContact N-OD2 3.46Å; S222-D225 WeakPolarHBondContact O-CB 3.33Å; S222-D225 PolarHBondContact O-N 3.41Å; S222-D225 PolarHBondContact OG-N 3.07Å; S222-D225 PolarHBondContact OG-OD2 2.92Å; L223-D225 VanDerWaalsContact C-N 3.28Å; L223-D225 PolarHBondContact O-N 3.36Å; D225-S228 PolarHBondContact O-N 3.41Å; D225-Y229 WeakPolarHBondContact O-CB 3.48Å; D225-Y229 VanDerWaalsContact O-CD1 3.3Å; D225-Y229 WeakPolarHBondContact O-CD1 3.38Å; D225-Y229 PolarHBondContact O-N 3.1Å
226V95.2Very high94.6Very high0 Ų045.2 Ų45.20%025%0.248CC..Hα-helixtrans-58.9-51.5175.5170.10000110.7P28 Y30 V220 S222 L223 C224 S228 Y229 G230 V238 V240 F251P28-V226 HydrophobicContact CG-CG1 4.1Å; P28-V226 WeakPolarHBondContact CG-O 3.4Å; Y30-V226 HydrophobicContact CD1-CG1 3.64Å; Y30-V226 HydrophobicContact CE1-CG1 3.64Å; V220-V226 HydrophobicContact CG1-CB 4.47Å; V220-V226 HydrophobicContact CG1-CG2 3.49Å; V220-V226 VanDerWaalsContact CG1-CG2 3.49Å; S222-V226 PolarHBondContact O-N 3.39Å; L223-V226 HydrophobicContact CD1-CB 4.48Å; L223-V226 WeakPolarHBondContact O-CB 3.27Å; L223-V226 PolarHBondContact O-N 3.31Å; L223-V226 VanDerWaalsContact O-N 3.16Å; C224-V226 VanDerWaalsContact C-N 3.34Å; V226-S228 VanDerWaalsContact C-N 3.34Å; V226-S228 PolarHBondContact O-N 2.73Å; V226-Y229 PolarHBondContact O-N 2.99Å; V226-G230 PolarHBondContact O-N 3.3Å; V226-G230 VanDerWaalsContact O-N 3.11Å; V226-V238 HydrophobicContact CB-CG1 4.46Å; V226-V238 HydrophobicContact CG1-CB 3.97Å; V226-V238 HydrophobicContact CG1-CG1 4.45Å; V226-V238 HydrophobicContact CG1-CG2 4.29Å; V226-V238 HydrophobicContact CG2-CB 4.48Å; V226-V238 HydrophobicContact CG2-CG1 4.13Å; V226-V240 HydrophobicContact CG2-CG2 3.99Å; V226-F251 HydrophobicContact CG2-CE1 4.08Å
227I94.4Very high94.6Very high62 Ų6245.2 Ų45.232%0.31825%0.248SC..Hα-helixtrans-62.5-44.7179.2-64.9167.3000110.2L223 C224 Y229 G230 Q231L223-I227 HydrophobicContact CG-CD1 4.11Å; L223-I227 WeakPolarHBondContact O-CG1 3.15Å; L223-I227 PolarHBondContact O-N 3.46Å; C224-I227 PolarHBondContact O-N 2.79Å; I227-Y229 PolarHBondContact O-N 2.78Å; I227-G230 PolarHBondContact O-N 2.98Å; I227-Q231 HydrophobicContact CG2-CG 4.33Å; I227-Q231 WeakPolarHBondContact O-CG 3.38Å; I227-Q231 PolarHBondContact O-N 2.93Å
228S94.2Very high94.6Very high41 Ų4144.8 Ų44.829%0.28725%0.245SC..Hα-helixtrans-62.9-41.9-179.7-164.90000112.2C224 D225 V226 G230 Q231 Q232C224-S228 WeakPolarHBondContact O-CB 3.24Å; C224-S228 PolarHBondContact O-N 3.29Å; D225-S228 PolarHBondContact O-N 3.41Å; V226-S228 VanDerWaalsContact C-N 3.34Å; V226-S228 PolarHBondContact O-N 2.73Å; S228-G230 PolarHBondContact O-N 3.46Å; S228-Q231 PolarHBondContact O-N 3.44Å; S228-Q232 WeakPolarHBondContact O-CB 3.48Å; S228-Q232 VanDerWaalsContact O-CG 3.25Å; S228-Q232 WeakPolarHBondContact O-CG 3.29Å; S228-Q232 PolarHBondContact O-N 3.5Å; S228-Q232 PolarHBondContact OG-NE2 3.41Å
229Y94Very high94.8Very high22 Ų2244.5 Ų44.59%0.08624%0.242CC..Hα-helixtrans-60.1-46.2174.2-91.745.6000111V200 F203 A216 G218 V220 D225 V226 I227 Q232 T233V200-Y229 HydrophobicContact CG1-CE1 4.45Å; V200-Y229 HydrophobicContact CG2-CE1 4.01Å; V200-Y229 HydrophobicContact CG2-CE2 4.43Å; V200-Y229 WeakPolarHBondContact CG2-OH 3.28Å; F203-Y229 HydrophobicContact CD2-CD2 4.31Å; F203-Y229 HydrophobicContact CD2-CE2 4.23Å; F203-Y229 HydrophobicContact CE2-CD2 4.05Å; F203-Y229 AromaticContact CE2-CE2 3.57Å; F203-Y229 HydrophobicContact CE2-CE2 3.57Å; F203-Y229 HydrophobicContact CZ-CE2 4.43Å; A216-Y229 HydrophobicContact CB-CD2 4.04Å; G218-Y229 PolarHBondContact O-OH 2.75Å; V220-Y229 HydrophobicContact CG2-CD2 4.04Å; V220-Y229 HydrophobicContact CG2-CE2 3.88Å; V220-Y229 HydrophobicContact CG2-CG 4.41Å; D225-Y229 WeakPolarHBondContact O-CB 3.48Å; D225-Y229 VanDerWaalsContact O-CD1 3.3Å; D225-Y229 WeakPolarHBondContact O-CD1 3.38Å; D225-Y229 PolarHBondContact O-N 3.1Å; V226-Y229 PolarHBondContact O-N 2.99Å; I227-Y229 PolarHBondContact O-N 2.78Å; Y229-Q232 PolarHBondContact O-N 3.17Å; Y229-T233 WeakPolarHBondContact O-CB 3.47Å; Y229-T233 PolarHBondContact O-N 3.31Å; Y229-T233 VanDerWaalsContact O-N 3.13Å; Y229-T233 PolarHBondContact O-OG1 3.32Å
230G93.4Very high95.1Very high10 Ų1042.1 Ų42.110%0.10323%0.229CC..Hα-helixtrans-57.2-50.7175.600000112.5V226 I227 S228 Q232 G234V226-G230 PolarHBondContact O-N 3.3Å; V226-G230 VanDerWaalsContact O-N 3.11Å; I227-G230 PolarHBondContact O-N 2.98Å; S228-G230 PolarHBondContact O-N 3.46Å; G230-Q232 PolarHBondContact O-N 2.83Å; G230-G234 WeakPolarHBondContact O-CA 3.33Å; G230-G234 PolarHBondContact O-N 3.37Å
231Q93.1Very high95.1Very high154 Ų15443 Ų4372%0.7224%0.238SC*.Hα-helixtrans-64.1-41.3-178.9-71.8174.9-15.300113.2I227 S228I227-Q231 HydrophobicContact CG2-CG 4.33Å; I227-Q231 WeakPolarHBondContact O-CG 3.38Å; I227-Q231 PolarHBondContact O-N 2.93Å; S228-Q231 PolarHBondContact O-N 3.44Å
232Q93.6Very high95.1Very high112 Ų11243.3 Ų43.352%0.52324%0.235SC..Hα-helixtrans-73.3-32.8-177.1-71.9-179.851.300113.1S228 Y229 G230S228-Q232 WeakPolarHBondContact O-CB 3.48Å; S228-Q232 VanDerWaalsContact O-CG 3.25Å; S228-Q232 WeakPolarHBondContact O-CG 3.29Å; S228-Q232 PolarHBondContact O-N 3.5Å; S228-Q232 PolarHBondContact OG-NE2 3.41Å; Y229-Q232 PolarHBondContact O-N 3.17Å; G230-Q232 PolarHBondContact O-N 2.83Å
233T94.6Very high95.1Very high3 Ų342.2 Ų42.22%0.01823%0.227CC..Hα-helixtrans-115.8-20.2-16667.40000114V200 F203 R207 Y229 V235V200-T233 HydrophobicContact CG1-CG2 3.77Å; V200-T233 WeakPolarHBondContact O-CG2 3.39Å; F203-T233 HydrophobicContact CB-CG2 3.89Å; F203-T233 HydrophobicContact CD2-CG2 4.36Å; R207-T233 PolarHBondContact NE-O 2.91Å; R207-T233 PolarHBondContact NH2-O 2.92Å; Y229-T233 WeakPolarHBondContact O-CB 3.47Å; Y229-T233 PolarHBondContact O-N 3.31Å; Y229-T233 VanDerWaalsContact O-N 3.13Å; Y229-T233 PolarHBondContact O-OG1 3.32Å; T233-V235 VanDerWaalsContact C-N 3.27Å; T233-V235 WeakPolarHBondContact OG1-CG1 3.42Å; T233-V235 VanDerWaalsContact OG1-CG2 3.3Å; T233-V235 WeakPolarHBondContact OG1-CG2 3.42Å; T233-V235 PolarHBondContact OG1-N 2.98Å
234G93.9Very high95.2Very high39 Ų3940.7 Ų40.740%0.40222%0.219SC..  trans69.921.4-174.500000113.6R207 G230R207-G234 WeakPolarHBondContact CD-O 3.16Å; R207-G234 WeakPolarHBondContact CG-O 3.35Å; G230-G234 WeakPolarHBondContact O-CA 3.33Å; G230-G234 PolarHBondContact O-N 3.37Å
235V96.4Very high95.2Very high8 Ų836.7 Ų36.75%0.04819%0.192CC..  trans-69.2150.8175.9-68.30000111.7F203 R207 V214 A216 T233 V238F203-V235 HydrophobicContact CB-CG1 3.94Å; R207-V235 HydrophobicContact CB-CG1 4.47Å; V214-V235 HydrophobicContact CG1-CG1 4.26Å; A216-V235 HydrophobicContact CB-CB 4.43Å; A216-V235 HydrophobicContact CB-CG1 4.22Å; A216-V235 HydrophobicContact CB-CG2 3.96Å; T233-V235 VanDerWaalsContact C-N 3.27Å; T233-V235 WeakPolarHBondContact OG1-CG1 3.42Å; T233-V235 VanDerWaalsContact OG1-CG2 3.3Å; T233-V235 WeakPolarHBondContact OG1-CG2 3.42Å; T233-V235 PolarHBondContact OG1-N 2.98Å; V235-V238 HydrophobicContact CG2-CG2 4.1Å
236H97.1Very high95.1Very high57 Ų5737.3 Ų37.326%0.26419%0.193SC..SBendtrans-83.6-19-174.5-62.283.2000112.4L22 L29 P213 V214L22-H236 HydrophobicContact CB-CB 4.21Å; L22-H236 HydrophobicContact CD2-CB 4.34Å; L22-H236 WeakPolarHBondContact O-CB 3.31Å; L22-H236 PolarHBondContact O-CD2 2.99Å; L29-H236 WeakPolarHBondContact CB-O 3.39Å; L29-H236 PolarHBondContact N-O 3.35Å; P213-H236 HydrophobicContact CB-CB 4.01Å; V214-H236 PolarHBondContact N-ND1 3.27Å; V214-H236 PolarHBondContact O-N 2.86Å
237G97.3Very high95.2Very high0 Ų037.6 Ų37.60%020%0.195CC..EExtended strand (participates in β ladder)trans-154.9159.4176.400000112.7L29 V214 I215 A216L29-G237 WeakPolarHBondContact O-CA 3.38Å; V214-G237 PolarHBondContact O-N 3.46Å; I215-G237 CarbonylContact C-O 3.56Å; I215-G237 VanDerWaalsContact CA-O 3.29Å; I215-G237 WeakPolarHBondContact CA-O 3.35Å; A216-G237 PolarHBondContact N-O 2.76Å
238V97.7Very high95.3Very high0 Ų034.7 Ų34.70%018%0.179CC..EExtended strand (participates in β ladder)trans-129121.8175.2179.50000109.4P28 L29 V31 A216 V220 V226 V235P28-V238 HydrophobicContact CB-CG2 3.89Å; P28-V238 HydrophobicContact CG-CG2 4.29Å; L29-V238 PolarHBondContact O-N 3.15Å; V31-V238 PolarHBondContact N-O 3.28Å; A216-V238 WeakPolarHBondContact O-CA 3.25Å; V220-V238 HydrophobicContact CB-CG1 4.41Å; V220-V238 HydrophobicContact CG1-CG1 4.14Å; V220-V238 HydrophobicContact CG2-CG1 3.63Å; V226-V238 HydrophobicContact CB-CG1 4.46Å; V226-V238 HydrophobicContact CG1-CB 3.97Å; V226-V238 HydrophobicContact CG1-CG1 4.45Å; V226-V238 HydrophobicContact CG1-CG2 4.29Å; V226-V238 HydrophobicContact CG2-CB 4.48Å; V226-V238 HydrophobicContact CG2-CG1 4.13Å; V235-V238 HydrophobicContact CG2-CG2 4.1Å
239M98.2Very high95.3Very high1 Ų132.8 Ų32.81%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-96.2123.2-178.1179.4-175.4-73.500111.7V31 A33 F56 K159 T185 I215 A216 N217V31-M239 HydrophobicContact CB-CB 4.05Å; V31-M239 HydrophobicContact CB-CG 4.48Å; V31-M239 HydrophobicContact CG1-CB 4.1Å; V31-M239 HydrophobicContact CG1-CE 3.76Å; V31-M239 HydrophobicContact CG1-CG 4.13Å; V31-M239 CarbonylContact O-C 3.59Å; V31-M239 VanDerWaalsContact O-CA 3.3Å; V31-M239 WeakPolarHBondContact O-CA 3.43Å; A33-M239 HydrophobicContact CB-CG 3.56Å; A33-M239 HydrophobicContact CB-SD 3.74Å; F56-M239 HydrophobicContact CD1-CE 4.41Å; F56-M239 HydrophobicContact CD2-CE 3.85Å; F56-M239 HydrophobicContact CE1-CE 4.17Å; F56-M239 HydrophobicContact CE2-CE 3.63Å; F56-M239 HydrophobicContact CG-CE 4.27Å; F56-M239 HydrophobicContact CZ-CE 3.8Å; K159-M239 HydrophobicContact CD-SD 4.18Å; K159-M239 WeakPolarHBondContact CE-SD 3Å; T185-M239 HydrophobicContact CG2-CE 3.7Å; T185-M239 HydrophobicContact CG2-SD 3.82Å; I215-M239 HydrophobicContact CG2-CB 3.74Å; A216-M239 PolarHBondContact O-N 2.79Å; N217-M239 HydrophobicContact CB-CB 4.12Å; N217-M239 PolarHBondContact ND2-O 3.44Å
240V97.8Very high95.4Very high1 Ų131.8 Ų31.81%0.00616%0.162CC..EExtended strand (participates in β ladder)trans-109.7135.8-178.7-170.80000110.4V31 A33 V220 V226 A243 L244 L250 F251V31-V240 PolarHBondContact O-N 2.82Å; A33-V240 VanDerWaalsContact CB-O 3.23Å; A33-V240 WeakPolarHBondContact CB-O 3.27Å; A33-V240 PolarHBondContact N-O 3.35Å; V220-V240 HydrophobicContact CB-CG2 4.19Å; V220-V240 HydrophobicContact CG1-CG2 3.77Å; V226-V240 HydrophobicContact CG2-CG2 3.99Å; V240-A243 HydrophobicContact CG1-CB 3.83Å; V240-L244 HydrophobicContact CB-CD1 4.02Å; V240-L244 HydrophobicContact CB-CG 4.06Å; V240-L244 HydrophobicContact CG1-CD1 4.36Å; V240-L244 HydrophobicContact CG1-CG 3.87Å; V240-L244 WeakPolarHBondContact O-CD1 3.22Å; V240-L250 HydrophobicContact CG1-CD1 4.08Å; V240-F251 HydrophobicContact CB-CZ 4.06Å; V240-F251 HydrophobicContact CG2-CE1 3.8Å; V240-F251 HydrophobicContact CG2-CZ 3.72Å
241A95.1Very high95.5Very high28 Ų2831.7 Ų31.723%0.23116%0.159CC..  trans-116.3-98.3-178.600000111.6A33 M35 A243 L244A33-A241 HydrophobicContact CB-CB 3.53Å; M35-A241 HydrophobicContact CG-CB 4.34Å; M35-A241 VanDerWaalsContact SD-C 3.56Å; M35-A241 HydrophobicContact SD-CB 4.07Å; A241-A243 PolarHBondContact O-N 2.93Å; A241-A243 VanDerWaalsContact O-N 3.09Å; A241-L244 WeakPolarHBondContact O-CB 3.39Å; A241-L244 PolarHBondContact O-N 3.5Å
242R92.5Very high95.6Very high162 Ų16227.4 Ų27.461%0.61115%0.146SC*.Hα-helixtrans-53.5-36.2-173.1-67.9-179.3-71.1170.4-3.1114D219 L244 L245 Q246D219-R242 IonicContact OD1-NH2 2.72Å; R242-L244 VanDerWaalsContact C-N 3.28Å; R242-L244 PolarHBondContact O-N 3.37Å; R242-L245 WeakPolarHBondContact O-CB 3.21Å; R242-L245 PolarHBondContact O-N 2.89Å; R242-L245 VanDerWaalsContact O-N 3.16Å; R242-Q246 PolarHBondContact O-N 2.89Å
243A94.6Very high95.5Very high9 Ų924.1 Ų24.17%0.07414%0.143CC..Hα-helixtrans-65-31-179.600000112.8V220 V240 A241 L245 Q246 N247 L250V220-A243 WeakPolarHBondContact O-CB 2.95Å; V240-A243 HydrophobicContact CG1-CB 3.83Å; A241-A243 PolarHBondContact O-N 2.93Å; A241-A243 VanDerWaalsContact O-N 3.09Å; A243-L245 VanDerWaalsContact C-N 3.33Å; A243-L245 PolarHBondContact O-N 3.46Å; A243-Q246 PolarHBondContact O-N 2.9Å; A243-N247 PolarHBondContact O-N 2.98Å; A243-L250 HydrophobicContact CB-CD1 3.63Å
244L96.5Very high95.4Very high0 Ų026.3 Ų26.30%016%0.156CC..Hα-helixtrans-68.6-31174.4-75172.1000112.6F43 V47 V240 A241 R242 Q246 N247 P248 L250 F251F43-L244 HydrophobicContact CZ-CB 4.18Å; V47-L244 HydrophobicContact CG1-CB 4.47Å; V47-L244 HydrophobicContact CG1-CD1 4.49Å; V47-L244 HydrophobicContact CG1-CD2 4.15Å; V240-L244 HydrophobicContact CB-CD1 4.02Å; V240-L244 HydrophobicContact CB-CG 4.06Å; V240-L244 HydrophobicContact CG1-CD1 4.36Å; V240-L244 HydrophobicContact CG1-CG 3.87Å; V240-L244 WeakPolarHBondContact O-CD1 3.22Å; A241-L244 WeakPolarHBondContact O-CB 3.39Å; A241-L244 PolarHBondContact O-N 3.5Å; R242-L244 VanDerWaalsContact C-N 3.28Å; R242-L244 PolarHBondContact O-N 3.37Å; L244-Q246 VanDerWaalsContact C-N 3.32Å; L244-N247 CarbonylContact O-C 3.52Å; L244-N247 VanDerWaalsContact O-C 3.25Å; L244-P248 VanDerWaalsContact O-CA 3.27Å; L244-P248 WeakPolarHBondContact O-CA 3.32Å; L244-P248 WeakPolarHBondContact O-CD 3.07Å; L244-L250 HydrophobicContact CD2-CB 4.07Å; L244-F251 HydrophobicContact CD1-CE2 3.9Å; L244-F251 HydrophobicContact CD1-CZ 4.36Å; L244-F251 HydrophobicContact CD2-CD2 3.96Å; L244-F251 HydrophobicContact CD2-CE2 3.79Å; L244-F251 HydrophobicContact CD2-CZ 4.46Å; L244-F251 HydrophobicContact CG-CE2 4.37Å
245L95Very high95Very high9 Ų930 Ų305%0.04717%0.171CC..Hα-helixtrans-66.7-38.8174.4-61.4175.5000110.9M35 Y38 F43 R242 A243 F285 M286M35-L245 HydrophobicContact CE-CD2 4.04Å; M35-L245 HydrophobicContact CE-CG 4.19Å; M35-L245 HydrophobicContact SD-CD1 3.88Å; M35-L245 HydrophobicContact SD-CD2 4.26Å; M35-L245 HydrophobicContact SD-CG 3.9Å; Y38-L245 HydrophobicContact CD1-CD2 4.28Å; Y38-L245 HydrophobicContact CD2-CD1 4.02Å; Y38-L245 HydrophobicContact CE2-CD1 4.37Å; Y38-L245 HydrophobicContact CG-CD1 4.14Å; Y38-L245 HydrophobicContact CG-CD2 3.98Å; F43-L245 HydrophobicContact CE1-CD2 3.93Å; F43-L245 HydrophobicContact CE2-CD2 4.16Å; F43-L245 HydrophobicContact CZ-CD2 3.7Å; R242-L245 WeakPolarHBondContact O-CB 3.21Å; R242-L245 PolarHBondContact O-N 2.89Å; R242-L245 VanDerWaalsContact O-N 3.16Å; A243-L245 VanDerWaalsContact C-N 3.33Å; A243-L245 PolarHBondContact O-N 3.46Å; L245-F285 HydrophobicContact CB-CB 4.03Å; L245-F285 HydrophobicContact CB-CD2 4.1Å; L245-F285 HydrophobicContact CB-CG 4.02Å; L245-F285 HydrophobicContact CD1-CD2 4.33Å; L245-F285 HydrophobicContact CD1-CE2 4.23Å; L245-F285 CarbonylContact O-C 3.56Å; L245-F285 WeakPolarHBondContact O-CB 3.17Å; L245-M286 PolarHBondContact O-N 3Å
246Q93.7Very high94.8Very high65 Ų6532.3 Ų32.330%0.30419%0.187SC..Hα-helixtrans-77.6-30.8179.1-68.3-179.7-32.600113.2R242 A243 L244 T257 E288R242-Q246 PolarHBondContact O-N 2.89Å; A243-Q246 PolarHBondContact O-N 2.9Å; L244-Q246 VanDerWaalsContact C-N 3.32Å; Q246-T257 PolarHBondContact O-OG1 2.96Å; Q246-E288 PolarHBondContact NE2-OE2 3.22Å
247N95.5Very high94.5Very high7 Ų729.9 Ų29.94%0.03718%0.177CC..  trans-146.590.2178-177.215.9000110.5A243 L244 S249 L250 T254 S256 T257A243-N247 PolarHBondContact O-N 2.98Å; L244-N247 CarbonylContact O-C 3.52Å; L244-N247 VanDerWaalsContact O-C 3.25Å; N247-S249 PolarHBondContact O-N 2.98Å; N247-S249 PolarHBondContact OD1-N 2.93Å; N247-S249 PolarHBondContact OD1-OG 3.47Å; N247-L250 VanDerWaalsContact O-CB 3.26Å; N247-L250 WeakPolarHBondContact O-CB 3.1Å; N247-L250 PolarHBondContact O-N 3.44Å; N247-L250 VanDerWaalsContact O-N 3.1Å; N247-T254 PolarHBondContact ND2-O 3.39Å; N247-T254 PolarHBondContact ND2-OG1 3.43Å; N247-T254 PolarHBondContact OD1-OG1 2.97Å; N247-S256 PolarHBondContact OD1-O 3.36Å; N247-T257 WeakPolarHBondContact CA-OG1 3.26Å; N247-T257 PolarHBondContact OD1-N 3.22Å
248P96.6Very high94.2Very high0 Ų032 Ų320%019%0.192CC..THydrogen-bonded Turntrans-63.2-21.3178-18.828.8000113.1F43 L46 V47 L244 L250 M286F43-P248 HydrophobicContact CE2-CB 4.43Å; F43-P248 HydrophobicContact CE2-CG 4.25Å; L46-P248 HydrophobicContact CD2-CB 3.57Å; L46-P248 HydrophobicContact CD2-CG 3.7Å; L46-P248 HydrophobicContact CG-CB 3.93Å; V47-P248 HydrophobicContact CG1-CB 4.24Å; L244-P248 VanDerWaalsContact O-CA 3.27Å; L244-P248 WeakPolarHBondContact O-CA 3.32Å; L244-P248 WeakPolarHBondContact O-CD 3.07Å; P248-L250 VanDerWaalsContact C-N 3.28Å; P248-L250 PolarHBondContact O-N 3.32Å; P248-M286 HydrophobicContact CG-CE 3.6Å; P248-M286 HydrophobicContact CG-CG 3.81Å; P248-M286 HydrophobicContact CG-SD 4Å
249S95.5Very high93.7Very high1 Ų136.6 Ų36.61%0.00721%0.214CC..THydrogen-bonded Turntrans-89.417.3176.360.30000114.2N247 F251 S252 T254N247-S249 PolarHBondContact O-N 2.98Å; N247-S249 PolarHBondContact OD1-N 2.93Å; N247-S249 PolarHBondContact OD1-OG 3.47Å; S249-F251 VanDerWaalsContact C-N 3.29Å; S249-F251 PolarHBondContact O-N 2.97Å; S249-S252 PolarHBondContact O-N 3.08Å; S249-S252 VanDerWaalsContact O-N 3.11Å; S249-S252 PolarHBondContact O-OG 2.93Å; S249-T254 PolarHBondContact O-OG1 3.33Å; S249-T254 PolarHBondContact OG-OG1 3.39Å
250L95.9Very high93.4Very high1 Ų141.9 Ų41.91%0.00524%0.242CC..G310 helixtrans-54.3-43179.7-179.9154.6000112.7K221 V240 A243 L244 N247 P248 S252 G253K221-L250 WeakPolarHBondContact O-CD1 3.4Å; V240-L250 HydrophobicContact CG1-CD1 4.08Å; A243-L250 HydrophobicContact CB-CD1 3.63Å; L244-L250 HydrophobicContact CD2-CB 4.07Å; N247-L250 VanDerWaalsContact O-CB 3.26Å; N247-L250 WeakPolarHBondContact O-CB 3.1Å; N247-L250 PolarHBondContact O-N 3.44Å; N247-L250 VanDerWaalsContact O-N 3.1Å; P248-L250 VanDerWaalsContact C-N 3.28Å; P248-L250 PolarHBondContact O-N 3.32Å; L250-S252 VanDerWaalsContact C-N 3.25Å; L250-S252 PolarHBondContact O-N 3.36Å; L250-G253 PolarHBondContact O-N 3.4Å; L250-G253 VanDerWaalsContact O-N 3.12Å
251F95.9Very high93.2Very high8 Ų841.9 Ų41.94%0.03524%0.242CC..G310 helixtrans-72.6-15.2-177.6-66.9-52.5000114Y30 Y50 C52 V226 V240 L244 S249 G253Y30-F251 HydrophobicContact CD1-CD1 4.18Å; Y30-F251 HydrophobicContact CD1-CE1 4.33Å; Y30-F251 HydrophobicContact CD2-CB 3.99Å; Y30-F251 AromaticContact CD2-CD1 3.9Å; Y30-F251 HydrophobicContact CD2-CD1 3.9Å; Y30-F251 HydrophobicContact CD2-CG 4.11Å; Y30-F251 AromaticContact CG-CD1 3.6Å; Y30-F251 HydrophobicContact CG-CD1 3.6Å; Y30-F251 AromaticContact CG-CE1 3.95Å; Y30-F251 HydrophobicContact CG-CE1 3.95Å; Y30-F251 HydrophobicContact CG-CG 4.14Å; Y50-F251 CarbonylContact O-C 3.5Å; Y50-F251 VanDerWaalsContact O-CB 3.32Å; Y50-F251 WeakPolarHBondContact O-CB 3.4Å; C52-F251 HydrophobicContact CB-CD2 3.7Å; C52-F251 HydrophobicContact CB-CE2 3.85Å; V226-F251 HydrophobicContact CG2-CE1 4.08Å; V240-F251 HydrophobicContact CB-CZ 4.06Å; V240-F251 HydrophobicContact CG2-CE1 3.8Å; V240-F251 HydrophobicContact CG2-CZ 3.72Å; L244-F251 HydrophobicContact CD1-CE2 3.9Å; L244-F251 HydrophobicContact CD1-CZ 4.36Å; L244-F251 HydrophobicContact CD2-CD2 3.96Å; L244-F251 HydrophobicContact CD2-CE2 3.79Å; L244-F251 HydrophobicContact CD2-CZ 4.46Å; L244-F251 HydrophobicContact CG-CE2 4.37Å; S249-F251 VanDerWaalsContact C-N 3.29Å; S249-F251 PolarHBondContact O-N 2.97Å; F251-G253 PolarHBondContact O-N 2.96Å
252S94.4Very high93.1Very high65 Ų6541.2 Ų41.246%0.45524%0.235SC..G310 helixtrans-86.99.6171.176.10000112.8Y50 S249 L250Y50-S252 PolarHBondContact O-N 3.18Å; S249-S252 PolarHBondContact O-N 3.08Å; S249-S252 VanDerWaalsContact O-N 3.11Å; S249-S252 PolarHBondContact O-OG 2.93Å; L250-S252 VanDerWaalsContact C-N 3.25Å; L250-S252 PolarHBondContact O-N 3.36Å
253G92.2Very high93.1Very high43 Ų4337.3 Ų37.344%0.44322%0.224SC..THydrogen-bonded Turntrans84.35.5175.700000115.4L250 F251L250-G253 PolarHBondContact O-N 3.4Å; L250-G253 VanDerWaalsContact O-N 3.12Å; F251-G253 PolarHBondContact O-N 2.96Å
254T90.9Very high93.1Very high48 Ų4840 Ų4029%0.29423%0.234SC..  trans-77.5147.2177.375.90000111.5N247 S249 S256N247-T254 PolarHBondContact ND2-O 3.39Å; N247-T254 PolarHBondContact ND2-OG1 3.43Å; N247-T254 PolarHBondContact OD1-OG1 2.97Å; S249-T254 PolarHBondContact O-OG1 3.33Å; S249-T254 PolarHBondContact OG-OG1 3.39Å; T254-S256 PolarHBondContact OG1-O 3.4Å
255T87.5Confident93Very high117 Ų11740 Ų4072%0.71823%0.234SC*.SBendtrans-88.7-17.1177.955.60000113.4
256S90.3Very high92.8Very high56 Ų5642 Ų4239%0.39225%0.247SC..SBendtrans-145.5161.9179.459.30000111.1N247 T254 S258N247-S256 PolarHBondContact OD1-O 3.36Å; T254-S256 PolarHBondContact OG1-O 3.4Å; S256-S258 PolarHBondContact O-N 3.42Å
257T91.8Very high92.8Very high7 Ų744.6 Ų44.64%0.04326%0.258CS..  trans-67.9124.4175.1-53.10000110.1Q246 N247 C261 V262 M286Q246-T257 PolarHBondContact O-OG1 2.96Å; N247-T257 WeakPolarHBondContact CA-OG1 3.26Å; N247-T257 PolarHBondContact OD1-N 3.22Å; T257-C261 HydrophobicContact CG2-CB 3.74Å; T257-V262 HydrophobicContact CG2-CG2 3.87Å; T257-M286 WeakPolarHBondContact CB-O 3.33Å; T257-M286 HydrophobicContact CG2-CB 4.05Å; T257-M286 HydrophobicContact CG2-CG 4.28Å; T257-M286 PolarHBondContact OG1-O 3.41Å
258S90.4Very high92.6Very high45 Ų4545 Ų4532%0.31526%0.261SS..  trans-79157.6172.967.50000111.6S256 N260 C261 V262S256-S258 PolarHBondContact O-N 3.42Å; S258-N260 PolarHBondContact O-N 3.34Å; S258-C261 WeakPolarHBondContact O-CB 3.49Å; S258-C261 PolarHBondContact O-N 3.34Å; S258-C261 PolarHBondContact OG-N 3.24Å; S258-V262 PolarHBondContact O-N 2.91Å
259M88.2Confident92.3Very high96 Ų9645.5 Ų45.547%0.47326%0.264SS..Hα-helixtrans-59.1-34.8172.8-171.260.268.800111.8C261 V262 Q263 M290M259-C261 VanDerWaalsContact C-N 3.3Å; M259-C261 PolarHBondContact O-N 3.33Å; M259-V262 PolarHBondContact O-N 3.09Å; M259-V262 HydrophobicContact SD-CB 4.47Å; M259-Q263 WeakPolarHBondContact O-CG 3.29Å; M259-Q263 PolarHBondContact O-N 3.23Å; M259-M290 HydrophobicContact CE-CE 3.83Å
260N92.2Very high91.8Very high112 Ų11249 Ų4960%0.59929%0.293SS*.Hα-helixtrans-60.5-38.7173.7-78.6-1.9000112.1S258 Q263 K264S258-N260 PolarHBondContact O-N 3.34Å; N260-Q263 PolarHBondContact O-N 3.4Å; N260-Q263 PolarHBondContact OD1-OE1 3.04Å; N260-K264 WeakPolarHBondContact O-CB 3.42Å; N260-K264 PolarHBondContact O-N 3.38Å
261C93.6Very high91.5Very high0 Ų055.6 Ų55.60%032%0.321CS..Hα-helixtrans-65.2-41175.7-176.60000111.8Y50 T257 S258 M259 K264 W265Y50-C261 HydrophobicContact CE2-CB 3.89Å; Y50-C261 WeakPolarHBondContact CE2-SG 3.28Å; Y50-C261 WeakPolarHBondContact OH-CA 3.44Å; Y50-C261 WeakPolarHBondContact OH-CB 3.36Å; Y50-C261 PolarHBondContact OH-N 2.8Å; T257-C261 HydrophobicContact CG2-CB 3.74Å; S258-C261 WeakPolarHBondContact O-CB 3.49Å; S258-C261 PolarHBondContact O-N 3.34Å; S258-C261 PolarHBondContact OG-N 3.24Å; M259-C261 VanDerWaalsContact C-N 3.3Å; M259-C261 PolarHBondContact O-N 3.33Å; C261-K264 PolarHBondContact O-N 2.82Å; C261-W265 PolarHBondContact O-N 2.79Å
262V92.4Very high91.1Very high15 Ų1557.8 Ų57.89%0.09133%0.33CS..Hα-helixtrans-63.1-45.8173.7178.60000111.3T257 S258 M259 K264 W265 V266 L283 M286 M290T257-V262 HydrophobicContact CG2-CG2 3.87Å; S258-V262 PolarHBondContact O-N 2.91Å; M259-V262 PolarHBondContact O-N 3.09Å; M259-V262 HydrophobicContact SD-CB 4.47Å; V262-K264 VanDerWaalsContact C-N 3.32Å; V262-K264 PolarHBondContact O-N 2.88Å; V262-W265 WeakPolarHBondContact O-CB 3.32Å; V262-W265 PolarHBondContact O-N 2.84Å; V262-W265 VanDerWaalsContact O-N 3.16Å; V262-V266 WeakPolarHBondContact O-CG2 3.32Å; V262-V266 PolarHBondContact O-N 3.05Å; V262-L283 HydrophobicContact CG1-CD1 3.58Å; V262-M286 HydrophobicContact CG2-CB 4.48Å; V262-M290 HydrophobicContact CG2-SD 4.17Å
263Q92.2Very high90.6Very high79 Ų7961.1 Ų61.137%0.36934%0.338SS..Hα-helixtrans-61.2-41.1176.3-73.2175.1-46.800111.9M259 N260 W265 V266 Q267M259-Q263 WeakPolarHBondContact O-CG 3.29Å; M259-Q263 PolarHBondContact O-N 3.23Å; N260-Q263 PolarHBondContact O-N 3.4Å; N260-Q263 PolarHBondContact OD1-OE1 3.04Å; Q263-W265 VanDerWaalsContact C-N 3.32Å; Q263-W265 PolarHBondContact O-N 2.78Å; Q263-V266 WeakPolarHBondContact O-CB 3.02Å; Q263-V266 PolarHBondContact O-N 2.97Å; Q263-Q267 WeakPolarHBondContact O-CG 3.28Å; Q263-Q267 PolarHBondContact O-N 2.9Å
264K93.9Very high90Very high65 Ų6559.7 Ų59.728%0.28332%0.321SS..Hα-helixtrans-62.9-39.8175.1-16567.9171.1-177.10111.5L46 N260 C261 V262 Q267 I268L46-K264 HydrophobicContact CD1-CB 3.99Å; L46-K264 HydrophobicContact CD1-CG 3.9Å; N260-K264 WeakPolarHBondContact O-CB 3.42Å; N260-K264 PolarHBondContact O-N 3.38Å; C261-K264 PolarHBondContact O-N 2.82Å; V262-K264 VanDerWaalsContact C-N 3.32Å; V262-K264 PolarHBondContact O-N 2.88Å; K264-Q267 PolarHBondContact O-N 2.82Å; K264-I268 HydrophobicContact CG-CD1 3.99Å; K264-I268 WeakPolarHBondContact O-CB 3.48Å; K264-I268 VanDerWaalsContact O-CG1 3.29Å; K264-I268 WeakPolarHBondContact O-CG1 3.34Å; K264-I268 PolarHBondContact O-N 2.81Å
265W94.6Very high89.4Confident2 Ų260.2 Ų60.21%0.00833%0.325CS..Hα-helixtrans-61.3-41.8173.8176.6-119.4000112.4P42 F43 L46 C261 V262 Q263 I268 S269 F279 H282 M286P42-W265 HydrophobicContact CB-CH2 4.22Å; P42-W265 HydrophobicContact CB-CZ3 3.98Å; F43-W265 HydrophobicContact CB-CH2 4.32Å; F43-W265 HydrophobicContact CB-CZ3 4.17Å; F43-W265 HydrophobicContact CD2-CZ3 4.35Å; L46-W265 HydrophobicContact CB-CE3 4.38Å; L46-W265 HydrophobicContact CD2-CB 4.05Å; L46-W265 HydrophobicContact CD2-CD2 4.3Å; L46-W265 HydrophobicContact CD2-CE3 3.79Å; L46-W265 HydrophobicContact CD2-CG 4.45Å; C261-W265 PolarHBondContact O-N 2.79Å; V262-W265 WeakPolarHBondContact O-CB 3.32Å; V262-W265 PolarHBondContact O-N 2.84Å; V262-W265 VanDerWaalsContact O-N 3.16Å; Q263-W265 VanDerWaalsContact C-N 3.32Å; Q263-W265 PolarHBondContact O-N 2.78Å; W265-I268 HydrophobicContact CE3-CG2 4.43Å; W265-I268 HydrophobicContact CZ3-CG2 4.42Å; W265-S269 VanDerWaalsContact CE2-OG 3.25Å; W265-S269 WeakPolarHBondContact CZ2-OG 3.21Å; W265-S269 WeakPolarHBondContact O-CB 3.45Å; W265-S269 PolarHBondContact O-N 3.38Å; W265-S269 PolarHBondContact O-OG 3.21Å; W265-F279 AromaticContact CD1-CD2 3.99Å; W265-F279 AromaticContact CD1-CE2 3.89Å; W265-F279 AromaticContact NE1-CD2 3.47Å; W265-F279 AromaticContact NE1-CE2 3.85Å; W265-F279 PolarHBondContact NE1-O 2.82Å; W265-H282 HydrophobicContact CD2-CB 4.46Å; W265-H282 VanDerWaalsContact CE2-CB 3.48Å; W265-H282 HydrophobicContact CH2-CB 4.28Å; W265-H282 AromaticContact CH2-CD2 3.74Å; W265-H282 AromaticContact CH2-CG 3.92Å; W265-H282 HydrophobicContact CZ2-CB 3.37Å; W265-H282 AromaticContact CZ2-CD2 3.46Å; W265-H282 VanDerWaalsContact CZ2-CD2 3.46Å; W265-H282 WeakPolarHBondContact CZ2-CD2 3.34Å; W265-H282 AromaticContact CZ2-CG 3.46Å; W265-H282 VanDerWaalsContact CZ2-CG 3.46Å; W265-M286 HydrophobicContact CB-CE 3.98Å; W265-M286 HydrophobicContact CB-SD 3.91Å; W265-M286 HydrophobicContact CD2-CE 3.73Å; W265-M286 HydrophobicContact CE3-CE 4.25Å; W265-M286 HydrophobicContact CG-CE 3.59Å; W265-M286 HydrophobicContact CG-SD 3.89Å
266V90.7Very high88.9Confident51 Ų5156.6 Ų56.631%0.30930%0.299SS..Hα-helixtrans-60.5-48.7174.7174.90000110.8V262 Q263 I268 S269 A270 F279V262-V266 WeakPolarHBondContact O-CG2 3.32Å; V262-V266 PolarHBondContact O-N 3.05Å; Q263-V266 WeakPolarHBondContact O-CB 3.02Å; Q263-V266 PolarHBondContact O-N 2.97Å; V266-I268 PolarHBondContact O-N 3.03Å; V266-S269 PolarHBondContact O-N 3.01Å; V266-A270 PolarHBondContact O-N 2.84Å; V266-F279 HydrophobicContact CG2-CE2 4Å; V266-F279 HydrophobicContact CG2-CZ 4.16Å
267Q93.2Very high88Confident118 Ų11858.8 Ų58.855%0.55131%0.306SS*.Hα-helixtrans-60-47.5178.3-70.1172.8-8.400112.6Q263 K264 S269 A270 K271Q263-Q267 WeakPolarHBondContact O-CG 3.28Å; Q263-Q267 PolarHBondContact O-N 2.9Å; K264-Q267 PolarHBondContact O-N 2.82Å; Q267-S269 VanDerWaalsContact C-N 3.33Å; Q267-S269 PolarHBondContact O-N 2.75Å; Q267-A270 PolarHBondContact O-N 3.36Å; Q267-K271 PolarHBondContact O-N 3.1Å
268I92.6Very high87.5Confident16 Ų1659.5 Ų59.58%0.08231%0.31CS..Hα-helixtrans-63.1-42.3177.4-73.9175.2000110.3P42 A45 L46 K264 W265 V266 A270 K271 Y272P42-I268 HydrophobicContact CB-CG2 3.7Å; P42-I268 VanDerWaalsContact O-CG2 3.26Å; P42-I268 WeakPolarHBondContact O-CG2 3.39Å; A45-I268 HydrophobicContact CB-CD1 4.46Å; L46-I268 HydrophobicContact CB-CD1 3.92Å; L46-I268 HydrophobicContact CD1-CD1 3.97Å; K264-I268 HydrophobicContact CG-CD1 3.99Å; K264-I268 WeakPolarHBondContact O-CB 3.48Å; K264-I268 VanDerWaalsContact O-CG1 3.29Å; K264-I268 WeakPolarHBondContact O-CG1 3.34Å; K264-I268 PolarHBondContact O-N 2.81Å; W265-I268 HydrophobicContact CE3-CG2 4.43Å; W265-I268 HydrophobicContact CZ3-CG2 4.42Å; V266-I268 PolarHBondContact O-N 3.03Å; I268-A270 VanDerWaalsContact C-N 3.31Å; I268-A270 PolarHBondContact O-N 3.31Å; I268-K271 PolarHBondContact O-N 3.22Å; I268-Y272 HydrophobicContact CG2-CD2 3.73Å; I268-Y272 HydrophobicContact CG2-CE2 3.93Å; I268-Y272 VanDerWaalsContact O-CD2 3.25Å; I268-Y272 WeakPolarHBondContact O-CD2 3.19Å; I268-Y272 PolarHBondContact O-N 3.35Å
269S89.8Confident87.3Confident10 Ų1058.1 Ų58.17%0.0730%0.298CS..Hα-helixtrans-65.2-36.4-179.3-630000112.4W265 V266 Q267 E273 V274 F279W265-S269 VanDerWaalsContact CE2-OG 3.25Å; W265-S269 WeakPolarHBondContact CZ2-OG 3.21Å; W265-S269 WeakPolarHBondContact O-CB 3.45Å; W265-S269 PolarHBondContact O-N 3.38Å; W265-S269 PolarHBondContact O-OG 3.21Å; V266-S269 PolarHBondContact O-N 3.01Å; Q267-S269 VanDerWaalsContact C-N 3.33Å; Q267-S269 PolarHBondContact O-N 2.75Å; S269-E273 PolarHBondContact O-N 3.17Å; S269-E273 VanDerWaalsContact O-N 3.14Å; S269-V274 PolarHBondContact O-N 2.92Å; S269-F279 WeakPolarHBondContact OG-CD2 3.5Å
270A85.3Confident86.9Confident74 Ų7454.9 Ų54.961%0.61228%0.282SS*.Hα-helixtrans-65.7-47.4171.600000111.4V266 Q267 I268 Y272 E273V266-A270 PolarHBondContact O-N 2.84Å; Q267-A270 PolarHBondContact O-N 3.36Å; I268-A270 VanDerWaalsContact C-N 3.31Å; I268-A270 PolarHBondContact O-N 3.31Å; A270-Y272 VanDerWaalsContact C-N 3.34Å; A270-Y272 PolarHBondContact O-N 3.22Å; A270-E273 PolarHBondContact O-N 2.91Å
271K89.1Confident86.5Confident140 Ų14053.9 Ų53.961%0.60927%0.27SS*.Hα-helixtrans-56.5-42.9179-177.9-172.7175.5-164.80113Q267 I268Q267-K271 PolarHBondContact O-N 3.1Å; I268-K271 PolarHBondContact O-N 3.22Å
272Y88.5Confident86.4Confident55 Ų5554 Ų5422%0.21627%0.27CS..THydrogen-bonded Turntrans-10012.2-176.4-64.3-76000113.9L41 P42 A45 D79 I268 A270 V274L41-Y272 HydrophobicContact CD2-CD1 3.8Å; L41-Y272 HydrophobicContact CD2-CE1 3.53Å; L41-Y272 HydrophobicContact CG-CD1 4.15Å; L41-Y272 HydrophobicContact CG-CE1 3.82Å; P42-Y272 HydrophobicContact CB-CD2 3.88Å; P42-Y272 HydrophobicContact CB-CG 4.27Å; P42-Y272 HydrophobicContact CG-CD2 4.3Å; P42-Y272 HydrophobicContact CG-CG 4.18Å; A45-Y272 HydrophobicContact CB-CE2 4.17Å; D79-Y272 WeakPolarHBondContact OD2-CE1 3.26Å; D79-Y272 VanDerWaalsContact OD2-CZ 3.31Å; D79-Y272 PolarHBondContact OD2-OH 3.26Å; I268-Y272 HydrophobicContact CG2-CD2 3.73Å; I268-Y272 HydrophobicContact CG2-CE2 3.93Å; I268-Y272 VanDerWaalsContact O-CD2 3.25Å; I268-Y272 WeakPolarHBondContact O-CD2 3.19Å; I268-Y272 PolarHBondContact O-N 3.35Å; A270-Y272 VanDerWaalsContact C-N 3.34Å; A270-Y272 PolarHBondContact O-N 3.22Å; Y272-V274 VanDerWaalsContact C-N 3.34Å; Y272-V274 PolarHBondContact O-N 3.45Å
273E84.2Confident86.3Confident135 Ų13554.4 Ų54.463%0.63127%0.272SS*.THydrogen-bonded Turntrans49.348.6179.2-57.2-167.6121.400114S269 A270 K371S269-E273 PolarHBondContact O-N 3.17Å; S269-E273 VanDerWaalsContact O-N 3.14Å; A270-E273 PolarHBondContact O-N 2.91Å; E273-K371 WeakPolarHBondContact OE1-CE 3.26Å; E273-K371 IonicContact OE1-NZ 2.77Å; E273-K371 PolarHBondContact OE1-NZ 2.01Å
274V78.7Confident85.9Confident13 Ų1353.2 Ų53.28%0.07927%0.267CS..  trans-64.6132.8-1751780000111.3P42 S269 Y272 F276 L278 F279P42-V274 HydrophobicContact CB-CG2 3.61Å; P42-V274 HydrophobicContact CG-CG2 3.27Å; S269-V274 PolarHBondContact O-N 2.92Å; Y272-V274 VanDerWaalsContact C-N 3.34Å; Y272-V274 PolarHBondContact O-N 3.45Å; V274-F276 PolarHBondContact O-N 3.1Å; V274-L278 HydrophobicContact CG1-CB 4.05Å; V274-L278 HydrophobicContact CG1-CD2 4.12Å; V274-L278 HydrophobicContact CG1-CG 4.11Å; V274-F279 HydrophobicContact CG1-CB 4.16Å
275P77.6Confident85.8Confident59 Ų5953 Ų5338%0.38327%0.266SS..  trans-57.9133.2175.7-26.634.4000112.6L277 L278 F279P275-L277 VanDerWaalsContact C-N 3.25Å; P275-L277 PolarHBondContact O-N 2.94Å; P275-L277 VanDerWaalsContact O-N 3.1Å; P275-L278 WeakPolarHBondContact O-CA 3.49Å; P275-L278 WeakPolarHBondContact O-CB 3.34Å; P275-L278 PolarHBondContact O-N 3.19Å; P275-F279 PolarHBondContact O-N 2.86Å
276F77.2Confident85.7Confident40 Ų4052.9 Ų52.918%0.17527%0.266CS..Hα-helixtrans-46.2-46.5-176.3174.3-87.3000112.3V274 L278 F279 H280 R370 H374V274-F276 PolarHBondContact O-N 3.1Å; F276-L278 PolarHBondContact O-N 2.91Å; F276-F279 PolarHBondContact O-N 2.76Å; F276-H280 HydrophobicContact CD1-CB 4.47Å; F276-H280 HydrophobicContact CE1-CB 4.17Å; F276-H280 HydrophobicContact CZ-CB 4.38Å; F276-H280 WeakPolarHBondContact O-CB 3.47Å; F276-H280 PolarHBondContact O-N 3.38Å; F276-R370 HydrophobicContact CB-CG 4.46Å; F276-H374 AromaticContact CD2-CE1 3.21Å; F276-H374 WeakPolarHBondContact CD2-CE1 3.37Å; F276-H374 AromaticContact CD2-NE2 3.31Å; F276-H374 VanDerWaalsContact CD2-NE2 3.31Å; F276-H374 WeakPolarHBondContact CD2-NE2 3.32Å; F276-H374 AromaticContact CE2-CE1 3.92Å; F276-H374 AromaticContact CG-NE2 3.87Å
277L71.9Confident85.5Confident103 Ų10351 Ų5154%0.53926%0.255SS..Hα-helixtrans-62.3-33.2-178.8-128.682.8000112.7P275 R281P275-L277 VanDerWaalsContact C-N 3.25Å; P275-L277 PolarHBondContact O-N 2.94Å; P275-L277 VanDerWaalsContact O-N 3.1Å; L277-R281 WeakPolarHBondContact O-CB 3.46Å; L277-R281 WeakPolarHBondContact O-CD 3.35Å; L277-R281 WeakPolarHBondContact O-CG 3.45Å; L277-R281 PolarHBondContact O-N 2.77Å
278L80.9Confident85.1Confident21 Ų2149.2 Ų49.211%0.1125%0.246CC..Hα-helixtrans-78.4-46.7176.6-177.659.7000110.6R37 Y38 V274 P275 F276 H280 R281 H282R37-L278 VanDerWaalsContact O-CD1 3.28Å; R37-L278 WeakPolarHBondContact O-CD1 3.43Å; Y38-L278 HydrophobicContact CD1-CD1 4.12Å; Y38-L278 HydrophobicContact CE1-CD1 4.5Å; V274-L278 HydrophobicContact CG1-CB 4.05Å; V274-L278 HydrophobicContact CG1-CD2 4.12Å; V274-L278 HydrophobicContact CG1-CG 4.11Å; P275-L278 WeakPolarHBondContact O-CA 3.49Å; P275-L278 WeakPolarHBondContact O-CB 3.34Å; P275-L278 PolarHBondContact O-N 3.19Å; F276-L278 PolarHBondContact O-N 2.91Å; L278-H280 VanDerWaalsContact C-N 3.31Å; L278-H280 PolarHBondContact O-N 3.45Å; L278-R281 PolarHBondContact O-N 3.42Å; L278-H282 PolarHBondContact O-CD2 2.76Å; L278-H282 VanDerWaalsContact O-CD2 3.25Å; L278-H282 PolarHBondContact O-N 2.93Å; L278-H282 VanDerWaalsContact O-N 3.08Å
279F87Confident84.6Confident17 Ų1754.9 Ų54.98%0.07527%0.27CS..Hα-helixtrans-50.4-52172.2163.5-94.1000111.7W265 V266 S269 V274 P275 F276 R281 H282 L283 H374W265-F279 AromaticContact CD1-CD2 3.99Å; W265-F279 AromaticContact CD1-CE2 3.89Å; W265-F279 AromaticContact NE1-CD2 3.47Å; W265-F279 AromaticContact NE1-CE2 3.85Å; W265-F279 PolarHBondContact NE1-O 2.82Å; V266-F279 HydrophobicContact CG2-CE2 4Å; V266-F279 HydrophobicContact CG2-CZ 4.16Å; S269-F279 WeakPolarHBondContact OG-CD2 3.5Å; V274-F279 HydrophobicContact CG1-CB 4.16Å; P275-F279 PolarHBondContact O-N 2.86Å; F276-F279 PolarHBondContact O-N 2.76Å; F279-R281 PolarHBondContact O-N 2.72Å; F279-H282 PolarHBondContact O-N 2.96Å; F279-L283 HydrophobicContact CE1-CD2 3.96Å; F279-L283 HydrophobicContact CZ-CD2 4.03Å; F279-L283 PolarHBondContact O-N 3.17Å; F279-H374 AromaticContact CD1-CE1 3.26Å; F279-H374 WeakPolarHBondContact CD1-CE1 3.44Å; F279-H374 AromaticContact CD1-ND1 3.8Å; F279-H374 AromaticContact CE1-CE1 3.64Å; F279-H374 AromaticContact CE1-ND1 3.69Å; F279-H374 AromaticContact CG-CE1 3.76Å
280H80.2Confident84.1Confident28 Ų2857.8 Ų57.813%0.1328%0.284CS..Hα-helixtrans-64.5-39.2-176-175.6-106.1000111.8F276 L278 L283 I284 L299F276-H280 HydrophobicContact CD1-CB 4.47Å; F276-H280 HydrophobicContact CE1-CB 4.17Å; F276-H280 HydrophobicContact CZ-CB 4.38Å; F276-H280 WeakPolarHBondContact O-CB 3.47Å; F276-H280 PolarHBondContact O-N 3.38Å; L278-H280 VanDerWaalsContact C-N 3.31Å; L278-H280 PolarHBondContact O-N 3.45Å; H280-L283 PolarHBondContact O-N 2.72Å; H280-I284 WeakPolarHBondContact CE1-CD1 3.17Å; H280-I284 WeakPolarHBondContact ND1-CD1 3.23Å; H280-I284 WeakPolarHBondContact O-CG1 3.39Å; H280-I284 PolarHBondContact O-N 2.9Å; H280-L299 PolarHBondContact NE2-O 2.78Å
281R83.9Confident83.6Confident91 Ų9156.5 Ų56.534%0.34327%0.266SS..Hα-helixtrans-63.2-44.7173.7-78175.3-177.8-166.42.5112.6Y38 L277 L278 F279 L283 I284 F285Y38-R281 HydrophobicContact CE1-CB 4.31Å; L277-R281 WeakPolarHBondContact O-CB 3.46Å; L277-R281 WeakPolarHBondContact O-CD 3.35Å; L277-R281 WeakPolarHBondContact O-CG 3.45Å; L277-R281 PolarHBondContact O-N 2.77Å; L278-R281 PolarHBondContact O-N 3.42Å; F279-R281 PolarHBondContact O-N 2.72Å; R281-L283 VanDerWaalsContact C-N 3.32Å; R281-I284 PolarHBondContact O-N 2.84Å; R281-F285 WeakPolarHBondContact O-CD2 3.45Å; R281-F285 PolarHBondContact O-N 3.45Å; R281-F285 VanDerWaalsContact O-N 3.09Å
282H91Very high82.8Confident1 Ų153.7 Ų53.71%0.00526%0.261CS..Hα-helixtrans-60.9-43.7174.5-83-77.3000111.3Y38 F43 W265 L278 F279 I284 F285 M286Y38-H282 AromaticContact CD1-CE1 3.93Å; Y38-H282 AromaticContact CD1-NE2 3.71Å; F43-H282 AromaticContact CD2-CE1 3.28Å; F43-H282 WeakPolarHBondContact CD2-CE1 3.38Å; F43-H282 AromaticContact CD2-ND1 3.36Å; F43-H282 WeakPolarHBondContact CD2-ND1 3.48Å; F43-H282 AromaticContact CE2-CE1 3.81Å; F43-H282 AromaticContact CE2-ND1 3.64Å; F43-H282 AromaticContact CG-CE1 3.45Å; F43-H282 VanDerWaalsContact CG-CE1 3.45Å; F43-H282 WeakPolarHBondContact CG-CE1 3.41Å; W265-H282 HydrophobicContact CD2-CB 4.46Å; W265-H282 VanDerWaalsContact CE2-CB 3.48Å; W265-H282 HydrophobicContact CH2-CB 4.28Å; W265-H282 AromaticContact CH2-CD2 3.74Å; W265-H282 AromaticContact CH2-CG 3.92Å; W265-H282 HydrophobicContact CZ2-CB 3.37Å; W265-H282 AromaticContact CZ2-CD2 3.46Å; W265-H282 VanDerWaalsContact CZ2-CD2 3.46Å; W265-H282 WeakPolarHBondContact CZ2-CD2 3.34Å; W265-H282 AromaticContact CZ2-CG 3.46Å; W265-H282 VanDerWaalsContact CZ2-CG 3.46Å; L278-H282 PolarHBondContact O-CD2 2.76Å; L278-H282 VanDerWaalsContact O-CD2 3.25Å; L278-H282 PolarHBondContact O-N 2.93Å; L278-H282 VanDerWaalsContact O-N 3.08Å; F279-H282 PolarHBondContact O-N 2.96Å; H282-I284 VanDerWaalsContact C-N 3.35Å; H282-I284 PolarHBondContact O-N 2.87Å; H282-F285 PolarHBondContact O-N 3.1Å; H282-M286 HydrophobicContact CB-CE 4Å; H282-M286 WeakPolarHBondContact O-CB 3.43Å; H282-M286 VanDerWaalsContact O-CG 3.31Å; H282-M286 WeakPolarHBondContact O-CG 3.4Å; H282-M286 PolarHBondContact O-N 3.4Å
283L89.2Confident81.6Confident24 Ų2458.9 Ų58.913%0.12629%0.285CS..Hα-helixtrans-60.4-42.7176.7-173.363.5000111.9V262 F279 H280 R281 F285 M286 T287 L299V262-L283 HydrophobicContact CG1-CD1 3.58Å; F279-L283 HydrophobicContact CE1-CD2 3.96Å; F279-L283 HydrophobicContact CZ-CD2 4.03Å; F279-L283 PolarHBondContact O-N 3.17Å; H280-L283 PolarHBondContact O-N 2.72Å; R281-L283 VanDerWaalsContact C-N 3.32Å; L283-F285 PolarHBondContact O-N 3.08Å; L283-M286 PolarHBondContact O-N 3.4Å; L283-T287 HydrophobicContact CD1-CG2 3.98Å; L283-T287 HydrophobicContact CG-CG2 4.39Å; L283-T287 WeakPolarHBondContact O-CB 3.19Å; L283-T287 WeakPolarHBondContact O-CG2 3.25Å; L283-T287 PolarHBondContact O-N 2.97Å; L283-T287 PolarHBondContact O-OG1 2.85Å; L283-L299 HydrophobicContact CD2-CD2 3.9Å; L283-L299 HydrophobicContact CG-CD2 4.2Å
284I85Confident80.1Confident55 Ų5556.1 Ų56.128%0.28228%0.28SS..Hα-helixtrans-59.9-44.6175-73.1166.5000111.3H280 R281 H282 E288H280-I284 WeakPolarHBondContact CE1-CD1 3.17Å; H280-I284 WeakPolarHBondContact ND1-CD1 3.23Å; H280-I284 WeakPolarHBondContact O-CG1 3.39Å; H280-I284 PolarHBondContact O-N 2.9Å; R281-I284 PolarHBondContact O-N 2.84Å; H282-I284 VanDerWaalsContact C-N 3.35Å; H282-I284 PolarHBondContact O-N 2.87Å; I284-E288 PolarHBondContact O-N 3.15Å
285F91Very high79.1Confident59 Ų5959.7 Ų59.726%0.25930%0.296SS..Hα-helixtrans-64.8-47178.3-70.7-59.2000111.7Y38 L245 R281 H282 L283 T287 E288Y38-F285 HydrophobicContact CD1-CE2 4.46Å; Y38-F285 HydrophobicContact CE1-CD2 4.49Å; Y38-F285 AromaticContact CE1-CE2 3.71Å; Y38-F285 HydrophobicContact CE1-CE2 3.71Å; Y38-F285 AromaticContact CZ-CE2 3.79Å; L245-F285 HydrophobicContact CB-CB 4.03Å; L245-F285 HydrophobicContact CB-CD2 4.1Å; L245-F285 HydrophobicContact CB-CG 4.02Å; L245-F285 HydrophobicContact CD1-CD2 4.33Å; L245-F285 HydrophobicContact CD1-CE2 4.23Å; L245-F285 CarbonylContact O-C 3.56Å; L245-F285 WeakPolarHBondContact O-CB 3.17Å; R281-F285 WeakPolarHBondContact O-CD2 3.45Å; R281-F285 PolarHBondContact O-N 3.45Å; R281-F285 VanDerWaalsContact O-N 3.09Å; H282-F285 PolarHBondContact O-N 3.1Å; L283-F285 PolarHBondContact O-N 3.08Å; F285-T287 VanDerWaalsContact C-N 3.28Å; F285-T287 PolarHBondContact O-N 3.35Å; F285-E288 WeakPolarHBondContact O-CB 3.48Å; F285-E288 PolarHBondContact O-N 2.88Å
286M92.1Very high78.2Confident1 Ų160 Ų601%0.00529%0.29CS..Hα-helixtrans-59.9-38.3179-74.3177.2-156.400112.6F43 L46 L245 P248 T257 V262 W265 H282 L283F43-M286 HydrophobicContact CE2-CE 4.33Å; L46-M286 HydrophobicContact CD2-CE 3.48Å; L46-M286 VanDerWaalsContact CD2-CE 3.48Å; L46-M286 HydrophobicContact CD2-SD 4.45Å; L245-M286 PolarHBondContact O-N 3Å; P248-M286 HydrophobicContact CG-CE 3.6Å; P248-M286 HydrophobicContact CG-CG 3.81Å; P248-M286 HydrophobicContact CG-SD 4Å; T257-M286 WeakPolarHBondContact CB-O 3.33Å; T257-M286 HydrophobicContact CG2-CB 4.05Å; T257-M286 HydrophobicContact CG2-CG 4.28Å; T257-M286 PolarHBondContact OG1-O 3.41Å; V262-M286 HydrophobicContact CG2-CB 4.48Å; W265-M286 HydrophobicContact CB-CE 3.98Å; W265-M286 HydrophobicContact CB-SD 3.91Å; W265-M286 HydrophobicContact CD2-CE 3.73Å; W265-M286 HydrophobicContact CE3-CE 4.25Å; W265-M286 HydrophobicContact CG-CE 3.59Å; W265-M286 HydrophobicContact CG-SD 3.89Å; H282-M286 HydrophobicContact CB-CE 4Å; H282-M286 WeakPolarHBondContact O-CB 3.43Å; H282-M286 VanDerWaalsContact O-CG 3.31Å; H282-M286 WeakPolarHBondContact O-CG 3.4Å; H282-M286 PolarHBondContact O-N 3.4Å; L283-M286 PolarHBondContact O-N 3.4Å
287T87.5Confident77Confident11 Ų1162.5 Ų62.57%0.06731%0.308CS..Hα-helixtrans-93.31.4-176.960.70000113.7L283 F285 K289 M290 L291L283-T287 HydrophobicContact CD1-CG2 3.98Å; L283-T287 HydrophobicContact CG-CG2 4.39Å; L283-T287 WeakPolarHBondContact O-CB 3.19Å; L283-T287 WeakPolarHBondContact O-CG2 3.25Å; L283-T287 PolarHBondContact O-N 2.97Å; L283-T287 PolarHBondContact O-OG1 2.85Å; F285-T287 VanDerWaalsContact C-N 3.28Å; F285-T287 PolarHBondContact O-N 3.35Å; T287-K289 PolarHBondContact O-N 2.83Å; T287-K289 VanDerWaalsContact O-N 3.16Å; T287-M290 HydrophobicContact CG2-SD 4.26Å; T287-M290 PolarHBondContact O-N 3.5Å; T287-L291 HydrophobicContact CG2-CD1 4.2Å; T287-L291 PolarHBondContact O-N 3.33Å
288E84.3Confident76Confident80 Ų8065.2 Ų65.237%0.37432%0.315SS..THydrogen-bonded Turntrans-56-36.4-178-174.7179.3-168.900112.6Q246 I284 F285 R296Q246-E288 PolarHBondContact NE2-OE2 3.22Å; I284-E288 PolarHBondContact O-N 3.15Å; F285-E288 WeakPolarHBondContact O-CB 3.48Å; F285-E288 PolarHBondContact O-N 2.88Å; E288-R296 PolarHBondContact O-NH1 2.91Å
289K81.5Confident74.4Confident135 Ų13567.3 Ų67.359%0.58733%0.326SS*.THydrogen-bonded Turntrans-91.1-14.9176.6-64.1-177.1-178.4177.90113.6T287T287-K289 PolarHBondContact O-N 2.83Å; T287-K289 VanDerWaalsContact O-N 3.16Å
290M79.6Confident72.2Confident72 Ų7270 Ų7036%0.35535%0.347SS..THydrogen-bonded Turntrans-91.8-37.7-175.9-58.6176.373.900112.3M259 V262 T287M259-M290 HydrophobicContact CE-CE 3.83Å; V262-M290 HydrophobicContact CG2-SD 4.17Å; T287-M290 HydrophobicContact CG2-SD 4.26Å; T287-M290 PolarHBondContact O-N 3.5Å
291L74.4Confident70.1Confident46 Ų4670.3 Ų70.324%0.24136%0.358CS..SBendtrans-104144.8-174.7-65.1178.4000110.7T287 E295 R296 L299T287-L291 HydrophobicContact CG2-CD1 4.2Å; T287-L291 PolarHBondContact O-N 3.33Å; L291-E295 HydrophobicContact CB-CB 4.1Å; L291-E295 HydrophobicContact CD2-CB 4.16Å; L291-R296 HydrophobicContact CB-CG 3.8Å; L291-R296 HydrophobicContact CD1-CG 4.34Å; L291-R296 PolarHBondContact O-NH1 2.92Å; L291-L299 HydrophobicContact CD1-CD1 4.45Å
292T74Confident67.7Low81 Ų8170.1 Ų70.150%0.49737%0.367SS..  trans-66160.716865.20000110.9S294 E295 R296T292-S294 PolarHBondContact O-N 3.39Å; T292-E295 WeakPolarHBondContact CB-OE2 3.31Å; T292-E295 WeakPolarHBondContact CG2-OE2 3.49Å; T292-E295 PolarHBondContact N-OE2 2.89Å; T292-E295 PolarHBondContact O-N 3.37Å; T292-E295 VanDerWaalsContact OG1-CD 3.31Å; T292-E295 WeakPolarHBondContact OG1-CG 3.11Å; T292-E295 PolarHBondContact OG1-N 2.84Å; T292-E295 PolarHBondContact OG1-OE2 2.97Å; T292-R296 WeakPolarHBondContact O-CG 3.26Å; T292-R296 PolarHBondContact O-N 3.47Å; T292-R296 VanDerWaalsContact O-N 3.1Å
293K61.7Low64.9Low165 Ų16578.5 Ų78.572%0.71740%0.398SS*.Hα-helixtrans-55.3-35175.5-171.5179.6178.5-176.70112.3V297K293-V297 WeakPolarHBondContact O-CG2 3.38Å; K293-V297 PolarHBondContact O-N 3.01Å
294S52.7Low62.3Low77 Ų7779.6 Ų79.654%0.53840%0.404SS..Hα-helixtrans-67.3-46.4179-176.40000112.3T292 R296 V297 K298T292-S294 PolarHBondContact O-N 3.39Å; S294-R296 VanDerWaalsContact C-N 3.32Å; S294-R296 PolarHBondContact O-N 3.49Å; S294-V297 PolarHBondContact O-N 2.87Å; S294-K298 PolarHBondContact O-N 3.45Å; S294-K298 VanDerWaalsContact O-N 3.1Å
295E57.4Low60.3Low87 Ų8780.1 Ų80.141%0.40741%0.41SS..Hα-helixtrans-64.2-37.7177.9-70160.9140.200111.7L291 T292 V297 K298 L299L291-E295 HydrophobicContact CB-CB 4.1Å; L291-E295 HydrophobicContact CD2-CB 4.16Å; T292-E295 WeakPolarHBondContact CB-OE2 3.31Å; T292-E295 WeakPolarHBondContact CG2-OE2 3.49Å; T292-E295 PolarHBondContact N-OE2 2.89Å; T292-E295 PolarHBondContact O-N 3.37Å; T292-E295 VanDerWaalsContact OG1-CD 3.31Å; T292-E295 WeakPolarHBondContact OG1-CG 3.11Å; T292-E295 PolarHBondContact OG1-N 2.84Å; T292-E295 PolarHBondContact OG1-OE2 2.97Å; E295-V297 VanDerWaalsContact C-N 3.31Å; E295-V297 PolarHBondContact O-N 2.87Å; E295-K298 WeakPolarHBondContact O-CB 3.33Å; E295-K298 PolarHBondContact O-N 3.33Å; E295-L299 PolarHBondContact O-N 2.65Å
296R59.4Low58.4Low66 Ų6678.4 Ų78.425%0.24940%0.403CS..Hα-helixtrans-62.8-36.3174.4-67.8-167.1-61.8-108.817.6113.1E288 L291 T292 S294 L299 S300E288-R296 PolarHBondContact O-NH1 2.91Å; L291-R296 HydrophobicContact CB-CG 3.8Å; L291-R296 HydrophobicContact CD1-CG 4.34Å; L291-R296 PolarHBondContact O-NH1 2.92Å; T292-R296 WeakPolarHBondContact O-CG 3.26Å; T292-R296 PolarHBondContact O-N 3.47Å; T292-R296 VanDerWaalsContact O-N 3.1Å; S294-R296 VanDerWaalsContact C-N 3.32Å; S294-R296 PolarHBondContact O-N 3.49Å; R296-L299 PolarHBondContact O-N 3.16Å; R296-S300 PolarHBondContact O-N 3.09Å
297V51.8Low56.5Low92 Ų9280.4 Ų80.456%0.55842%0.417SS*.Hα-helixtrans-67.1-41.61751720000110.5K293 S294 E295 L299 S300 G301K293-V297 WeakPolarHBondContact O-CG2 3.38Å; K293-V297 PolarHBondContact O-N 3.01Å; S294-V297 PolarHBondContact O-N 2.87Å; E295-V297 VanDerWaalsContact C-N 3.31Å; E295-V297 PolarHBondContact O-N 2.87Å; V297-L299 VanDerWaalsContact C-N 3.35Å; V297-L299 PolarHBondContact O-N 2.93Å; V297-S300 WeakPolarHBondContact CA-OG 3.44Å; V297-S300 PolarHBondContact O-N 3.25Å; V297-S300 VanDerWaalsContact O-N 3.09Å; V297-S300 PolarHBondContact O-OG 3.38Å; V297-G301 PolarHBondContact O-N 2.82Å
298K52.3Low55.6Low160 Ų16080 Ų8070%0.69641%0.414SS*.Hα-helixtrans-60.9-44.2173.6-69.7-178.3179.2-179.90111.9S294 E295 S300 G301S294-K298 PolarHBondContact O-N 3.45Å; S294-K298 VanDerWaalsContact O-N 3.1Å; E295-K298 WeakPolarHBondContact O-CB 3.33Å; E295-K298 PolarHBondContact O-N 3.33Å; K298-S300 PolarHBondContact O-N 2.84Å; K298-S300 VanDerWaalsContact O-N 3.11Å; K298-G301 PolarHBondContact O-N 3.28Å
299L46.9Very low55.6Low65 Ų6576.7 Ų76.734%0.3440%0.399SS..Hα-helixtrans-59.1-23.4176-148.594.4000112.5H280 L283 L291 E295 R296 V297H280-L299 PolarHBondContact NE2-O 2.78Å; L283-L299 HydrophobicContact CD2-CD2 3.9Å; L283-L299 HydrophobicContact CG-CD2 4.2Å; L291-L299 HydrophobicContact CD1-CD1 4.45Å; E295-L299 PolarHBondContact O-N 2.65Å; R296-L299 PolarHBondContact O-N 3.16Å; V297-L299 VanDerWaalsContact C-N 3.35Å; V297-L299 PolarHBondContact O-N 2.93Å
300S40.7Very low55.6Low73 Ų7370.9 Ų70.951%0.5137%0.374SS..THydrogen-bonded Turntrans-89.1-9.1177.765.70000115.3R296 V297 K298R296-S300 PolarHBondContact O-N 3.09Å; V297-S300 WeakPolarHBondContact CA-OG 3.44Å; V297-S300 PolarHBondContact O-N 3.25Å; V297-S300 VanDerWaalsContact O-N 3.09Å; V297-S300 PolarHBondContact O-OG 3.38Å; K298-S300 PolarHBondContact O-N 2.84Å; K298-S300 VanDerWaalsContact O-N 3.11Å
301G35.8Very low55.9Low36 Ų3671.1 Ų71.137%0.37138%0.379SS..  trans-114.974.9-169.300000114.7V297 K298V297-G301 PolarHBondContact O-N 2.82Å; K298-G301 PolarHBondContact O-N 3.28Å
302V34.4Very low56.4Low86 Ų8670 Ų7052%0.52138%0.379SS..  trans-76.8123168.2-179.80000109
303R32.2Very low57.1Low177 Ų17768.3 Ų68.367%0.66837%0.373SS*.  trans-75.3126.3179.4-79177.5160.4-179.1-5.7110.9T629R303-T629 PolarHBondContact NE-OG1 3.38Å; R303-T629 VanDerWaalsContact NE-OG1 3.14Å
304I34.6Very low58.2Low48 Ų4861.7 Ų61.725%0.24634%0.344CS..  trans-115.9125.7174.2-60.5172.2000108.3A328 Y632I304-A328 HydrophobicContact CG2-CB 3.7Å; I304-Y632 HydrophobicContact CB-CE2 4.29Å; I304-Y632 HydrophobicContact CG2-CE2 4.16Å
305V42.9Very low59.8Low65 Ų6563 Ų6339%0.39434%0.342SS..  trans-101.9138.3177.1-177.30000109.4A328V305-A328 PolarHBondContact O-N 3.4Å
306L49.9Very low61Low23 Ų2358.9 Ų58.912%0.1232%0.322CS..  trans-127.796.5-167.8-156124.2000110.8E500 R501 Y632L306-E500 WeakPolarHBondContact CD1-OE1 3.48Å; L306-E500 WeakPolarHBondContact CD2-OE1 3.3Å; L306-R501 HydrophobicContact CD2-CG 4.3Å; L306-Y632 HydrophobicContact CD1-CD1 4.46Å; L306-Y632 HydrophobicContact CD1-CE1 3.49Å; L306-Y632 VanDerWaalsContact CD1-CE1 3.49Å; L306-Y632 HydrophobicContact CD1-CE2 4.19Å; L306-Y632 WeakPolarHBondContact CD1-OH 3.33Å
307C53Low61.6Low44 Ų4456.2 Ų56.230%0.29732%0.315SS..  trans-150.1141-174.9-69.50000112.6I310C307-I310 HydrophobicContact CB-CG2 3.41Å; C307-I310 VanDerWaalsContact CB-CG2 3.41Å
308L68.4Low62.2Low2 Ų253.3 Ų53.31%0.0130%0.299CS..SBendtrans-99.3-26.9-175.7-177.3125.9000113.9F329 W479 L480 V481 Q496 F558L308-F329 HydrophobicContact CB-CE2 4.05Å; L308-F329 HydrophobicContact CD1-CD2 4.38Å; L308-F329 HydrophobicContact CD1-CE2 3.26Å; L308-F329 HydrophobicContact CD1-CZ 3.38Å; L308-F329 HydrophobicContact CG-CE2 4.06Å; L308-F329 HydrophobicContact CG-CZ 4.5Å; L308-W479 CarbonylContact O-C 3.52Å; L308-W479 VanDerWaalsContact O-CA 3.32Å; L308-W479 WeakPolarHBondContact O-CA 3.03Å; L308-L480 WeakPolarHBondContact CD1-O 3.19Å; L308-L480 WeakPolarHBondContact CG-O 3.49Å; L308-L480 PolarHBondContact O-N 2.84Å; L308-V481 HydrophobicContact CD1-CG1 4.35Å; L308-V481 HydrophobicContact CD2-CG1 4.05Å; L308-V481 HydrophobicContact CG-CG1 4.22Å; L308-Q496 WeakPolarHBondContact CD1-O 3.45Å; L308-Q496 HydrophobicContact CD2-CB 3.91Å; L308-Q496 HydrophobicContact CD2-CG 4.4Å; L308-Q496 WeakPolarHBondContact CD2-O 3.42Å; L308-F558 HydrophobicContact CB-CE1 4.17Å; L308-F558 HydrophobicContact CB-CZ 3.83Å
309N84.2Confident62.5Low11 Ų1152.2 Ų52.26%0.05930%0.301CS..EExtended strand (participates in β ladder)trans-127.4108.8161.2177.1-121.7000109.5D477 I478 W479 R563N309-D477 PolarHBondContact ND2-OD1 2.8Å; N309-I478 CarbonylContact C-O 3.57Å; N309-I478 VanDerWaalsContact CA-O 3.31Å; N309-I478 WeakPolarHBondContact CA-O 3.4Å; N309-I478 PolarHBondContact ND2-O 3.37Å; N309-W479 HydrophobicContact CB-CD2 3.77Å; N309-W479 HydrophobicContact CB-CE3 3.63Å; N309-W479 HydrophobicContact CB-CG 4.43Å; N309-W479 HydrophobicContact CB-CH2 3.97Å; N309-W479 HydrophobicContact CB-CZ2 4.1Å; N309-W479 HydrophobicContact CB-CZ3 3.75Å; N309-W479 VanDerWaalsContact ND2-CD1 3.33Å; N309-W479 PolarHBondContact ND2-NE1 3.04Å; N309-W479 VanDerWaalsContact ND2-NE1 3.11Å; N309-R563 HydrophobicContact CB-CG 4.39Å; N309-R563 PolarHBondContact OD1-NE 3.45Å; N309-R563 PolarHBondContact OD1-NH2 2.86Å
310I81.4Confident63.1Low12 Ų1258.2 Ų58.26%0.06232%0.324CS..EExtended strand (participates in β ladder)trans-98.6115.3-176.752.9173.6000108.9C307 L326 A327 L452 Y476 D477 I478 L480C307-I310 HydrophobicContact CB-CG2 3.41Å; C307-I310 VanDerWaalsContact CB-CG2 3.41Å; I310-L326 HydrophobicContact CD1-CB 3.92Å; I310-L326 HydrophobicContact CD1-CD1 4.21Å; I310-A327 HydrophobicContact CD1-CB 4.17Å; I310-A327 HydrophobicContact CG2-CB 4.2Å; I310-L452 HydrophobicContact CD1-CD2 3.84Å; I310-Y476 HydrophobicContact CB-CE2 4.11Å; I310-Y476 HydrophobicContact CD1-CD2 4.48Å; I310-Y476 HydrophobicContact CD1-CE2 4.39Å; I310-Y476 HydrophobicContact CG1-CD2 4.32Å; I310-Y476 HydrophobicContact CG1-CE2 4.31Å; I310-D477 WeakPolarHBondContact O-CA 3.39Å; I310-I478 HydrophobicContact CD1-CB 3.98Å; I310-I478 HydrophobicContact CD1-CD1 4.03Å; I310-I478 HydrophobicContact CD1-CG1 4.43Å; I310-I478 HydrophobicContact CG1-CB 3.66Å; I310-I478 HydrophobicContact CG1-CD1 4.47Å; I310-I478 HydrophobicContact CG1-CG1 4.36Å; I310-I478 WeakPolarHBondContact CG1-O 3.28Å; I310-I478 PolarHBondContact N-O 3.28Å; I310-I478 PolarHBondContact O-N 3.49Å; I310-L480 HydrophobicContact CD1-CD1 4.05Å; I310-L480 HydrophobicContact CG1-CD1 3.99Å
311V86Confident64.5Low77 Ų7759.7 Ų59.747%0.46732%0.323SS..EExtended strand (participates in β ladder)trans-115130.9166.5162.70000109.6Y476 D477V311-Y476 VanDerWaalsContact CA-O 3.3Å; V311-Y476 WeakPolarHBondContact CA-O 3.19Å; V311-D477 HydrophobicContact CG2-CB 3.57Å; V311-D477 WeakPolarHBondContact CG2-OD1 3.39Å; V311-D477 WeakPolarHBondContact CG2-OD2 2.96Å
312G85.8Confident66.6Low23 Ų2359 Ų5924%0.23731%0.311CS..EExtended strand (participates in β ladder)trans-171.1-174.9178.100000112.1Y476G312-Y476 VanDerWaalsContact C-CE1 3.48Å; G312-Y476 VanDerWaalsContact CA-CZ 3.49Å; G312-Y476 VanDerWaalsContact N-CE2 3.35Å; G312-Y476 PolarHBondContact N-O 3.35Å; G312-Y476 VanDerWaalsContact N-O 3.15Å; G312-Y476 WeakPolarHBondContact O-CD1 3.46Å; G312-Y476 PolarHBondContact O-N 3.05Å
313A87.1Confident68.8Low45 Ų4555.8 Ų55.837%0.37229%0.29SS..EExtended strand (participates in β ladder)trans-127.8140.5171.700000108.7R473 L474 N475A313-R473 HydrophobicContact CB-CG 4.39Å; A313-L474 CarbonylContact C-O 3.5Å; A313-L474 WeakPolarHBondContact CA-O 2.97Å; A313-N475 WeakPolarHBondContact CB-OD1 3.39Å
314W85.8Confident71.1Confident26 Ų2648.7 Ų48.710%0.09827%0.266CS..EExtended strand (participates in β ladder)trans-130.9138.6176.4-177.487.3000109.6A316 T324 A359 L454 N456 L474 Y476W314-A316 HydrophobicContact CE3-CB 3.99Å; W314-A316 HydrophobicContact CH2-CB 4.19Å; W314-A316 HydrophobicContact CZ3-CB 3.41Å; W314-A316 VanDerWaalsContact CZ3-CB 3.41Å; W314-T324 PolarHBondContact NE1-OG1 2.87Å; W314-A359 HydrophobicContact CH2-CB 3.96Å; W314-A359 HydrophobicContact CZ3-CB 3.53Å; W314-L454 HydrophobicContact CB-CD1 3.67Å; W314-L454 HydrophobicContact CD2-CB 4.14Å; W314-L454 HydrophobicContact CD2-CD1 3.64Å; W314-L454 HydrophobicContact CE3-CB 4.31Å; W314-L454 HydrophobicContact CE3-CD1 3.79Å; W314-L454 HydrophobicContact CG-CD1 3.62Å; W314-L454 HydrophobicContact CH2-CB 4.16Å; W314-L454 HydrophobicContact CZ2-CB 4.06Å; W314-L454 HydrophobicContact CZ3-CB 4.29Å; W314-L454 HydrophobicContact CZ3-CD1 4.48Å; W314-N456 WeakPolarHBondContact CH2-OD1 3.23Å; W314-L474 HydrophobicContact CE3-CD1 3.79Å; W314-L474 HydrophobicContact CE3-CG 4.34Å; W314-L474 HydrophobicContact CZ3-CD1 3.97Å; W314-L474 PolarHBondContact N-O 3.17Å; W314-L474 PolarHBondContact O-N 2.91Å; W314-Y476 HydrophobicContact CB-CD1 4.46Å; W314-Y476 HydrophobicContact CB-CE1 4.02Å
315E85.9Confident73.2Confident106 Ų10648.3 Ų48.350%0.49527%0.266SS..EExtended strand (participates in β ladder)trans-100.7103.3-177.4-164.1179.2170.200109.7
316A82.2Confident75Confident0 Ų045.8 Ų45.80%025%0.251CS..EExtended strand (participates in β ladder)trans-66.3153173.300000110.6W314 S318 A358 A359 N456 R471 V472W314-A316 HydrophobicContact CE3-CB 3.99Å; W314-A316 HydrophobicContact CH2-CB 4.19Å; W314-A316 HydrophobicContact CZ3-CB 3.41Å; W314-A316 VanDerWaalsContact CZ3-CB 3.41Å; A316-S318 PolarHBondContact O-N 3.4Å; A316-A358 HydrophobicContact CB-CB 3.63Å; A316-A359 HydrophobicContact CB-CB 4.38Å; A316-N456 WeakPolarHBondContact CA-OD1 3.45Å; A316-R471 WeakPolarHBondContact O-CA 3.39Å; A316-V472 HydrophobicContact CB-CB 4.41Å; A316-V472 WeakPolarHBondContact CB-O 3.41Å; A316-V472 PolarHBondContact N-O 2.75Å; A316-V472 PolarHBondContact O-N 3.37Å
317G73Confident76.5Confident9 Ų944.7 Ų44.79%0.09325%0.245CC..THydrogen-bonded Turntrans74.77.3177.700000114.9N456G317-N456 PolarHBondContact N-OD1 2.79Å
318S64.4Low77.7Confident31 Ų3142.6 Ų42.622%0.21723%0.231CC..  trans-71.8137172.291.30000110.2A316 K320A316-S318 PolarHBondContact O-N 3.4Å; S318-K320 PolarHBondContact O-N 3.04Å
319N59Low78.6Confident137 Ų13742.7 Ų42.773%0.73323%0.231SC*.THydrogen-bonded Turntrans-67.9-2.8178.6-94.1-13.5000114K467N319-K467 PolarHBondContact OD1-NZ 3.33Å
320K59.8Low78.7Confident192 Ų19242.1 Ų42.184%0.83523%0.228SC*.THydrogen-bonded Turntrans-90.4-31.3-167.1-70.6-174.1177.2179.90114.2S318S318-K320 PolarHBondContact O-N 3.04Å
321E69.6Low79.2Confident104 Ų10441.7 Ų41.749%0.48623%0.226SC..  trans-141.4121.7-175.3-64.6-177.3-174.100110.8T324 N456E321-T324 PolarHBondContact OE2-OG1 3.09Å; E321-N456 PolarHBondContact O-ND2 3.28Å
322L79.6Confident79.3Confident22 Ų2239 Ų3912%0.11521%0.208CC..SBendtrans-74-32.1175.3-168.970.3000111.6L376 P385 L389 T455 N456L322-L376 HydrophobicContact CB-CD1 3.83Å; L322-L376 HydrophobicContact CD2-CD1 3.96Å; L322-L376 HydrophobicContact CG-CD1 4.42Å; L322-P385 HydrophobicContact CD1-CG 4.49Å; L322-P385 HydrophobicContact CD2-CB 3.89Å; L322-L389 HydrophobicContact CD2-CB 4.06Å; L322-L389 HydrophobicContact CD2-CD2 3.67Å; L322-L389 HydrophobicContact CD2-CG 4.39Å; L322-L389 HydrophobicContact CG-CD2 3.85Å; L322-T455 WeakPolarHBondContact O-CA 3.42Å; L322-T455 PolarHBondContact O-OG1 3.07Å; L322-T455 VanDerWaalsContact O-OG1 3.07Å; L322-N456 PolarHBondContact O-N 2.78Å
323M80.3Confident79.5Confident18 Ų1843.4 Ų43.49%0.08922%0.22CC..EExtended strand (participates in β ladder)trans-146.3135.1-177.4175.1-179.5136.700109.1V325 F369 L372 L376 L389 L453 L454M323-V325 HydrophobicContact CE-CG2 4.36Å; M323-F369 HydrophobicContact CE-CD2 4.06Å; M323-F369 HydrophobicContact CE-CE2 3.6Å; M323-L372 HydrophobicContact CE-CB 4.49Å; M323-L372 HydrophobicContact SD-CB 4.46Å; M323-L376 HydrophobicContact CB-CD1 4.23Å; M323-L376 HydrophobicContact CB-CD2 4.18Å; M323-L389 HydrophobicContact CB-CD2 3.96Å; M323-L389 HydrophobicContact SD-CD1 4.12Å; M323-L389 HydrophobicContact SD-CD2 4.34Å; M323-L453 HydrophobicContact CE-CD1 3.49Å; M323-L453 VanDerWaalsContact CE-CD1 3.49Å; M323-L453 HydrophobicContact CE-CD2 3.63Å; M323-L453 HydrophobicContact CE-CG 4.08Å; M323-L453 HydrophobicContact CG-CB 4.39Å; M323-L453 HydrophobicContact SD-CD1 3.9Å; M323-L454 CarbonylContact C-O 3.55Å; M323-L454 VanDerWaalsContact CA-O 3.3Å; M323-L454 WeakPolarHBondContact CA-O 3.19Å
324T80.8Confident79.6Confident27 Ų2741.3 Ų41.317%0.16620%0.203CC..EExtended strand (participates in β ladder)trans-123.7129.6175-53.90000108.5W314 E321 L326 L453 L454W314-T324 PolarHBondContact NE1-OG1 2.87Å; E321-T324 PolarHBondContact OE2-OG1 3.09Å; T324-L326 PolarHBondContact O-N 3.3Å; T324-L453 WeakPolarHBondContact O-CA 3.27Å; T324-L454 PolarHBondContact N-O 3.4Å; T324-L454 PolarHBondContact O-N 2.81Å
325V78.2Confident79.7Confident40 Ų4043.5 Ų43.524%0.24222%0.217CC..EExtended strand (participates in β ladder)trans-78.7114.8173.4-173.20000108.6M323 F369 Y451 L453M323-V325 HydrophobicContact CE-CG2 4.36Å; V325-F369 HydrophobicContact CG2-CE2 3.64Å; V325-F369 HydrophobicContact CG2-CZ 3.83Å; V325-Y451 HydrophobicContact CG1-CD1 4.21Å; V325-L453 HydrophobicContact CB-CD2 4.03Å; V325-L453 HydrophobicContact CG1-CD2 3.97Å; V325-L453 HydrophobicContact CG2-CD2 3.73Å
326L81.4Confident79.7Confident13 Ų1342.4 Ų42.47%0.06822%0.219CC..EExtended strand (participates in β ladder)trans-78.9-47.3177.3-73-173.6000112I310 T324 L361 L452 L454 Y476 I478I310-L326 HydrophobicContact CD1-CB 3.92Å; I310-L326 HydrophobicContact CD1-CD1 4.21Å; T324-L326 PolarHBondContact O-N 3.3Å; L326-L361 HydrophobicContact CD1-CD1 3.98Å; L326-L452 WeakPolarHBondContact CB-O 3.39Å; L326-L452 HydrophobicContact CD1-CD2 4.39Å; L326-L452 PolarHBondContact N-O 3.13Å; L326-L454 HydrophobicContact CD1-CD1 3.76Å; L326-L454 HydrophobicContact CD1-CG 3.65Å; L326-L454 HydrophobicContact CD2-CD1 3.83Å; L326-L454 HydrophobicContact CD2-CG 4.31Å; L326-L454 HydrophobicContact CG-CD1 4.03Å; L326-L454 HydrophobicContact CG-CG 3.97Å; L326-Y476 HydrophobicContact CD2-CE1 3.95Å; L326-Y476 HydrophobicContact CD2-CE2 4.3Å; L326-I478 HydrophobicContact CD1-CD1 4.11Å
327A79.9Confident79.9Confident0 Ų048.9 Ų48.90%026%0.258CS..EExtended strand (participates in β ladder)trans-154.2149.1-178.400000111.3I310 Y451 L452 L480I310-A327 HydrophobicContact CD1-CB 4.17Å; I310-A327 HydrophobicContact CG2-CB 4.2Å; A327-Y451 WeakPolarHBondContact O-CA 3.47Å; A327-L452 PolarHBondContact N-O 3.45Å; A327-L452 PolarHBondContact O-N 2.72Å; A327-L480 HydrophobicContact CB-CD1 4.29Å; A327-L480 HydrophobicContact CB-CD2 4.09Å
328A79.9Confident80.4Confident0 Ų050.3 Ų50.30%027%0.269CS..EExtended strand (participates in β ladder)trans-113.4131.1160.600000108.7I304 V305 W450 Y451I304-A328 HydrophobicContact CG2-CB 3.7Å; V305-A328 PolarHBondContact O-N 3.4Å; A328-W450 WeakPolarHBondContact CA-O 3.27Å; A328-Y451 HydrophobicContact CB-CD1 3.75Å; A328-Y451 HydrophobicContact CB-CE1 3.59Å
329F86.1Confident81.3Confident3 Ų352.1 Ų52.11%0.01328%0.275CS..EExtended strand (participates in β ladder)trans-140.6129-177.2-166.9-91.1000110.4L308 F331 W450 L480 N482 S498L308-F329 HydrophobicContact CB-CE2 4.05Å; L308-F329 HydrophobicContact CD1-CD2 4.38Å; L308-F329 HydrophobicContact CD1-CE2 3.26Å; L308-F329 HydrophobicContact CD1-CZ 3.38Å; L308-F329 HydrophobicContact CG-CE2 4.06Å; L308-F329 HydrophobicContact CG-CZ 4.5Å; F329-F331 HydrophobicContact CB-CE2 4Å; F329-F331 HydrophobicContact CB-CZ 4.26Å; F329-F331 AromaticContact CD1-CD1 3.69Å; F329-F331 HydrophobicContact CD1-CD1 3.69Å; F329-F331 AromaticContact CD1-CD2 3.78Å; F329-F331 HydrophobicContact CD1-CD2 3.78Å; F329-F331 AromaticContact CD1-CE1 3.44Å; F329-F331 HydrophobicContact CD1-CE1 3.44Å; F329-F331 VanDerWaalsContact CD1-CE1 3.44Å; F329-F331 AromaticContact CD1-CE2 3.5Å; F329-F331 HydrophobicContact CD1-CE2 3.5Å; F329-F331 VanDerWaalsContact CD1-CE2 3.5Å; F329-F331 AromaticContact CD1-CG 3.89Å; F329-F331 HydrophobicContact CD1-CG 3.89Å; F329-F331 AromaticContact CD1-CZ 3.33Å; F329-F331 HydrophobicContact CD1-CZ 3.33Å; F329-F331 AromaticContact CE1-CD1 3.69Å; F329-F331 HydrophobicContact CE1-CD1 3.69Å; F329-F331 AromaticContact CE1-CE1 3.59Å; F329-F331 HydrophobicContact CE1-CE1 3.59Å; F329-F331 HydrophobicContact CE1-CE2 4.43Å; F329-F331 HydrophobicContact CE1-CG 4.23Å; F329-F331 AromaticContact CE1-CZ 3.97Å; F329-F331 HydrophobicContact CE1-CZ 3.97Å; F329-F331 HydrophobicContact CG-CE2 4.18Å; F329-F331 HydrophobicContact CG-CZ 4.08Å; F329-W450 PolarHBondContact N-O 3.33Å; F329-W450 PolarHBondContact O-N 3.33Å; F329-L480 HydrophobicContact CB-CB 4.32Å; F329-L480 HydrophobicContact CB-CD2 3.83Å; F329-L480 HydrophobicContact CD1-CB 4.44Å; F329-L480 HydrophobicContact CD2-CB 4.17Å; F329-L480 WeakPolarHBondContact CE2-O 3.48Å; F329-L480 HydrophobicContact CG-CB 4.04Å; F329-L480 HydrophobicContact CG-CD2 4.45Å; F329-L480 WeakPolarHBondContact CZ-O 3.37Å; F329-N482 WeakPolarHBondContact CE1-ND2 3.49Å; F329-S498 VanDerWaalsContact CE2-N 3.28Å; F329-S498 VanDerWaalsContact CZ-N 3.31Å
330A87.1Confident82.4Confident0 Ų050.2 Ų50.20%026%0.262CS..EExtended strand (participates in β ladder)trans-88.5112.1174.600000110.1R448 F449 S498 F499 E500 L704A330-R448 WeakPolarHBondContact CA-O 3.4Å; A330-F449 HydrophobicContact CB-CD1 3.72Å; A330-F449 HydrophobicContact CB-CD2 4.47Å; A330-F449 HydrophobicContact CB-CE1 3.66Å; A330-F449 HydrophobicContact CB-CE2 4.42Å; A330-F449 HydrophobicContact CB-CG 4.14Å; A330-F449 HydrophobicContact CB-CZ 4.02Å; A330-S498 WeakPolarHBondContact CA-OG 3.46Å; A330-S498 WeakPolarHBondContact CB-OG 3.37Å; A330-S498 PolarHBondContact N-OG 3.5Å; A330-F499 HydrophobicContact CB-CB 3.77Å; A330-F499 WeakPolarHBondContact O-CB 3.38Å; A330-F499 PolarHBondContact O-N 3.12Å; A330-E500 VanDerWaalsContact CB-OE2 3.25Å; A330-E500 WeakPolarHBondContact CB-OE2 3.34Å; A330-L704 HydrophobicContact CB-CD2 3.47Å; A330-L704 VanDerWaalsContact CB-CD2 3.47Å
331F90.6Very high83.4Confident3 Ų342.4 Ų42.41%0.01324%0.236CC..EExtended strand (participates in β ladder)trans-83.9140.3172.6-66.3-81.8000109.8F329 I346 I441 A447 R448 W450 L480 V481 N482F329-F331 HydrophobicContact CB-CE2 4Å; F329-F331 HydrophobicContact CB-CZ 4.26Å; F329-F331 AromaticContact CD1-CD1 3.69Å; F329-F331 HydrophobicContact CD1-CD1 3.69Å; F329-F331 AromaticContact CD1-CD2 3.78Å; F329-F331 HydrophobicContact CD1-CD2 3.78Å; F329-F331 AromaticContact CD1-CE1 3.44Å; F329-F331 HydrophobicContact CD1-CE1 3.44Å; F329-F331 VanDerWaalsContact CD1-CE1 3.44Å; F329-F331 AromaticContact CD1-CE2 3.5Å; F329-F331 HydrophobicContact CD1-CE2 3.5Å; F329-F331 VanDerWaalsContact CD1-CE2 3.5Å; F329-F331 AromaticContact CD1-CG 3.89Å; F329-F331 HydrophobicContact CD1-CG 3.89Å; F329-F331 AromaticContact CD1-CZ 3.33Å; F329-F331 HydrophobicContact CD1-CZ 3.33Å; F329-F331 AromaticContact CE1-CD1 3.69Å; F329-F331 HydrophobicContact CE1-CD1 3.69Å; F329-F331 AromaticContact CE1-CE1 3.59Å; F329-F331 HydrophobicContact CE1-CE1 3.59Å; F329-F331 HydrophobicContact CE1-CE2 4.43Å; F329-F331 HydrophobicContact CE1-CG 4.23Å; F329-F331 AromaticContact CE1-CZ 3.97Å; F329-F331 HydrophobicContact CE1-CZ 3.97Å; F329-F331 HydrophobicContact CG-CE2 4.18Å; F329-F331 HydrophobicContact CG-CZ 4.08Å; F331-I346 HydrophobicContact CE1-CG1 4.39Å; F331-I346 HydrophobicContact CE2-CD1 4.02Å; F331-I346 HydrophobicContact CE2-CG1 4.26Å; F331-I346 HydrophobicContact CZ-CD1 3.81Å; F331-I346 HydrophobicContact CZ-CG1 3.54Å; F331-I441 HydrophobicContact CB-CG2 4.01Å; F331-I441 HydrophobicContact CD1-CD1 4.2Å; F331-I441 HydrophobicContact CD2-CB 4.46Å; F331-I441 HydrophobicContact CD2-CD1 3.37Å; F331-I441 HydrophobicContact CD2-CG1 4.49Å; F331-I441 HydrophobicContact CD2-CG2 4.07Å; F331-I441 HydrophobicContact CE1-CD1 3.91Å; F331-I441 HydrophobicContact CE2-CD1 3.05Å; F331-I441 HydrophobicContact CE2-CG1 4.46Å; F331-I441 HydrophobicContact CG-CB 4.32Å; F331-I441 HydrophobicContact CG-CD1 3.94Å; F331-I441 HydrophobicContact CG-CG2 3.99Å; F331-I441 HydrophobicContact CZ-CD1 3.35Å; F331-A447 WeakPolarHBondContact O-CA 3.47Å; F331-A447 WeakPolarHBondContact O-CB 3.33Å; F331-R448 PolarHBondContact N-O 3.36Å; F331-R448 VanDerWaalsContact N-O 3.11Å; F331-R448 PolarHBondContact O-N 3.42Å; F331-W450 HydrophobicContact CD2-CB 3.85Å; F331-W450 AromaticContact CD2-CD1 3.56Å; F331-W450 AromaticContact CD2-CG 3.82Å; F331-W450 HydrophobicContact CD2-CG 3.82Å; F331-W450 HydrophobicContact CE2-CB 3.85Å; F331-W450 HydrophobicContact CE2-CG 4.24Å; F331-L480 HydrophobicContact CZ-CB 4.22Å; F331-V481 VanDerWaalsContact CE1-O 3.31Å; F331-V481 WeakPolarHBondContact CE1-O 3.49Å; F331-N482 VanDerWaalsContact CA-OD1 3.27Å; F331-N482 WeakPolarHBondContact CA-OD1 3.45Å
332Q88.7Confident84.2Confident19 Ų1937.9 Ų37.99%0.08922%0.215CC..PPolyproline II helixtrans-69.1163.5176.570.6-169.451.800111.3T334 N482 E494 F499Q332-T334 PolarHBondContact O-N 3.02Å; Q332-N482 HydrophobicContact CG-CB 4.28Å; Q332-N482 PolarHBondContact N-OD1 3.03Å; Q332-E494 PolarHBondContact NE2-OE1 3.29Å; Q332-E494 PolarHBondContact OE1-OE1 2.98Å; Q332-F499 HydrophobicContact CB-CD2 3.79Å; Q332-F499 HydrophobicContact CB-CE2 4.43Å
333K90.1Very high84.7Confident116 Ų11639 Ų3950%0.50422%0.218SC..PPolyproline II helixtrans-60.5126.9172.8-176.3-171.8178.6-170.80109.1D335 T444K333-D335 PolarHBondContact O-N 2.9Å; K333-T444 WeakPolarHBondContact CE-O 3.5Å
334T89.1Confident85.2Confident1 Ų138.1 Ų38.11%0.00621%0.214CC..PPolyproline II helixtrans-70.7122.7171.7-49.20000109.5Q332 P336 M339 R343 Q442 D443Q332-T334 PolarHBondContact O-N 3.02Å; T334-P336 WeakPolarHBondContact O-CD 3.5Å; T334-M339 HydrophobicContact CG2-CG 4.13Å; T334-R343 HydrophobicContact CG2-CB 3.75Å; T334-Q442 HydrophobicContact CG2-CG 4.19Å; T334-D443 PolarHBondContact N-O 3.38Å; T334-D443 PolarHBondContact OG1-N 3.32Å
335D87.8Confident85.8Confident73 Ų7336.8 Ų36.839%0.3921%0.206SC..PPolyproline II helixtrans-78.5117.2170.4-178.7-0.5000109K333 V337 A338 M339 S342K333-D335 PolarHBondContact O-N 2.9Å; D335-V337 PolarHBondContact O-N 2.92Å; D335-V337 VanDerWaalsContact O-N 3.16Å; D335-V337 PolarHBondContact OD1-N 3.11Å; D335-A338 HydrophobicContact CB-CB 4.44Å; D335-A338 CarbonylContact O-C 3.52Å; D335-A338 VanDerWaalsContact O-C 3.25Å; D335-A338 PolarHBondContact O-N 2.87Å; D335-M339 VanDerWaalsContact O-CA 3.26Å; D335-M339 WeakPolarHBondContact O-CA 3.25Å; D335-M339 PolarHBondContact O-N 3.49Å; D335-M339 VanDerWaalsContact O-N 3.09Å; D335-S342 PolarHBondContact N-OG 2.97Å; D335-S342 PolarHBondContact O-OG 2.8Å
336P86.4Confident86.5Confident82 Ų8235 Ų3553%0.53219%0.194SC..SBendtrans-57-27.5176.7-23.834.5000113.9T334 T444T334-P336 WeakPolarHBondContact O-CD 3.5Å; P336-T444 HydrophobicContact CG-CG2 4.11Å
337V87Confident87.1Confident136 Ų13635.5 Ų35.582%0.82420%0.196SC*.THydrogen-bonded Turntrans-77.5-39-179.7-177.10000111.3D335D335-V337 PolarHBondContact O-N 2.92Å; D335-V337 VanDerWaalsContact O-N 3.16Å; D335-V337 PolarHBondContact OD1-N 3.11Å
338A82.7Confident87.7Confident40 Ų4035.6 Ų35.633%0.33120%0.197SC..THydrogen-bonded Turntrans-114.851.9179.800000111D335 E340 G341 S342D335-A338 HydrophobicContact CB-CB 4.44Å; D335-A338 CarbonylContact O-C 3.52Å; D335-A338 VanDerWaalsContact O-C 3.25Å; D335-A338 PolarHBondContact O-N 2.87Å; A338-E340 PolarHBondContact O-N 3.48Å; A338-G341 PolarHBondContact O-N 3.08Å; A338-G341 VanDerWaalsContact O-N 3.1Å; A338-S342 WeakPolarHBondContact O-CB 3.4Å; A338-S342 PolarHBondContact O-N 2.79Å; A338-S342 PolarHBondContact O-OG 2.81Å
339M83.1Confident88.4Confident69 Ų6938.2 Ų38.234%0.3421%0.211SC..Hα-helixtrans-54.8-52.6-167.7-170.8-179.3-63.500113.5T334 D335 G341 S342 R343T334-M339 HydrophobicContact CG2-CG 4.13Å; D335-M339 VanDerWaalsContact O-CA 3.26Å; D335-M339 WeakPolarHBondContact O-CA 3.25Å; D335-M339 PolarHBondContact O-N 3.49Å; D335-M339 VanDerWaalsContact O-N 3.09Å; M339-G341 VanDerWaalsContact C-N 3.32Å; M339-G341 PolarHBondContact O-N 2.99Å; M339-S342 PolarHBondContact O-N 2.51Å; M339-S342 PolarHBondContact O-OG 3.13Å; M339-R343 VanDerWaalsContact O-CB 3.28Å; M339-R343 WeakPolarHBondContact O-CB 3.45Å; M339-R343 WeakPolarHBondContact O-CG 3.37Å; M339-R343 PolarHBondContact O-N 3.13Å
340E81.7Confident88.7Confident97 Ų9738.1 Ų38.145%0.45321%0.211SC..Hα-helixtrans-64.6-36.1179-66.2-175.6158.800112.9A338 S342 Y345 H484 R487A338-E340 PolarHBondContact O-N 3.48Å; E340-S342 VanDerWaalsContact C-N 3.29Å; E340-S342 PolarHBondContact O-N 3.1Å; E340-Y345 PolarHBondContact O-OH 2.82Å; E340-H484 WeakPolarHBondContact O-CB 3.21Å; E340-H484 PolarHBondContact O-N 3.42Å; E340-R487 IonicContact OE2-NH2 3.34Å; E340-R487 PolarHBondContact OE2-NH2 3.2Å
341G82Confident88.9Confident28 Ų2839.6 Ų39.629%0.28922%0.22SC..Hα-helixtrans-73.7-21.4-179.500000113.5A338 M339 G483A338-G341 PolarHBondContact O-N 3.08Å; A338-G341 VanDerWaalsContact O-N 3.1Å; M339-G341 VanDerWaalsContact C-N 3.32Å; M339-G341 PolarHBondContact O-N 2.99Å; G341-G483 WeakPolarHBondContact O-CA 3.2Å
342S85.5Confident88.9Confident8 Ų839.7 Ų39.76%0.05622%0.221CC..Hα-helixtrans-118.2-15-170.462.20000114.7D335 A338 M339 E340D335-S342 PolarHBondContact N-OG 2.97Å; D335-S342 PolarHBondContact O-OG 2.8Å; A338-S342 WeakPolarHBondContact O-CB 3.4Å; A338-S342 PolarHBondContact O-N 2.79Å; A338-S342 PolarHBondContact O-OG 2.81Å; M339-S342 PolarHBondContact O-N 2.51Å; M339-S342 PolarHBondContact O-OG 3.13Å; E340-S342 VanDerWaalsContact C-N 3.29Å; E340-S342 PolarHBondContact O-N 3.1Å
343R90Very high88.8Confident45 Ų4544.6 Ų44.617%0.1726%0.257CS..SBendtrans-73.2151.7175.977.5-177.4-169.7-157.9-7.6111.2T334 M339 Y345 H440 I441 G483T334-R343 HydrophobicContact CG2-CB 3.75Å; M339-R343 VanDerWaalsContact O-CB 3.28Å; M339-R343 WeakPolarHBondContact O-CB 3.45Å; M339-R343 WeakPolarHBondContact O-CG 3.37Å; M339-R343 PolarHBondContact O-N 3.13Å; R343-Y345 HydrophobicContact CG-CD2 4.15Å; R343-Y345 HydrophobicContact CG-CE2 3.35Å; R343-Y345 PolarHBondContact NE-OH 2.7Å; R343-Y345 PolarHBondContact NH2-OH 3.33Å; R343-Y345 WeakPolarHBondContact O-CD2 3.41Å; R343-Y345 WeakPolarHBondContact O-CE2 3.38Å; R343-H440 VanDerWaalsContact CZ-ND1 3.3Å; R343-H440 PolarHBondContact NE-ND1 3.06Å; R343-H440 PolarHBondContact NH2-CE1 2.77Å; R343-H440 VanDerWaalsContact NH2-CE1 3.35Å; R343-H440 PolarHBondContact NH2-ND1 3.23Å; R343-I441 WeakPolarHBondContact CB-O 3.44Å; R343-G483 WeakPolarHBondContact O-CA 3.41Å; R343-G483 PolarHBondContact O-N 3.15Å
344G91.6Very high88.4Confident0 Ų040.8 Ų40.80%025%0.245CC..EExtended strand (participates in β ladder)trans-77.1150.8175.200000112.2I441 V481G344-I441 PolarHBondContact N-O 3.14Å; G344-I441 PolarHBondContact O-N 3.13Å; G344-V481 WeakPolarHBondContact CA-O 3.48Å
345Y92.4Very high88Confident0 Ų050.4 Ų50.40%029%0.287CS..EExtended strand (participates in β ladder)trans-129.8133.4174.4-68.5-105.1000110.1E340 R343 V432 F439 H440 L480 V481 G483 H484E340-Y345 PolarHBondContact O-OH 2.82Å; R343-Y345 HydrophobicContact CG-CD2 4.15Å; R343-Y345 HydrophobicContact CG-CE2 3.35Å; R343-Y345 PolarHBondContact NE-OH 2.7Å; R343-Y345 PolarHBondContact NH2-OH 3.33Å; R343-Y345 WeakPolarHBondContact O-CD2 3.41Å; R343-Y345 WeakPolarHBondContact O-CE2 3.38Å; Y345-V432 HydrophobicContact CD1-CG2 4.24Å; Y345-F439 WeakPolarHBondContact CA-O 3.04Å; Y345-H440 AromaticContact CD1-CE1 3.87Å; Y345-H440 AromaticContact CD1-ND1 3.54Å; Y345-H440 AromaticContact CE1-CE1 3.53Å; Y345-H440 AromaticContact CE1-ND1 3.16Å; Y345-H440 WeakPolarHBondContact CE1-ND1 3.39Å; Y345-H440 AromaticContact CZ-ND1 3.98Å; Y345-L480 CarbonylContact O-C 3.37Å; Y345-L480 WeakPolarHBondContact O-CA 3.39Å; Y345-V481 PolarHBondContact N-O 2.79Å; Y345-V481 PolarHBondContact O-N 3.31Å; Y345-G483 VanDerWaalsContact CD2-C 3.49Å; Y345-G483 WeakPolarHBondContact CD2-O 3.47Å; Y345-H484 AromaticContact CE1-CD2 3.71Å; Y345-H484 HydrophobicContact CE2-CB 3.88Å; Y345-H484 VanDerWaalsContact CE2-N 3.3Å; Y345-H484 AromaticContact CZ-CD2 3.5Å; Y345-H484 VanDerWaalsContact CZ-CD2 3.5Å; Y345-H484 AromaticContact CZ-CG 3.88Å; Y345-H484 PolarHBondContact OH-CD2 2.85Å
346I93.3Very high87.8Confident1 Ų150.6 Ų50.61%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-119.9117.3165.9-59.2177.5000107.8F331 L363 F437 S438 F439 I441 L452 I478 W479 L480F331-I346 HydrophobicContact CE1-CG1 4.39Å; F331-I346 HydrophobicContact CE2-CD1 4.02Å; F331-I346 HydrophobicContact CE2-CG1 4.26Å; F331-I346 HydrophobicContact CZ-CD1 3.81Å; F331-I346 HydrophobicContact CZ-CG1 3.54Å; I346-L363 HydrophobicContact CD1-CD1 3.45Å; I346-L363 VanDerWaalsContact CD1-CD1 3.45Å; I346-L363 HydrophobicContact CD1-CD2 4.04Å; I346-L363 HydrophobicContact CD1-CG 4.35Å; I346-F437 HydrophobicContact CG2-CE2 4.26Å; I346-S438 CarbonylContact O-C 3.45Å; I346-S438 VanDerWaalsContact O-CA 3.29Å; I346-S438 WeakPolarHBondContact O-CA 3.35Å; I346-F439 HydrophobicContact CB-CB 4.18Å; I346-F439 HydrophobicContact CB-CD2 4.14Å; I346-F439 HydrophobicContact CG2-CD2 4.14Å; I346-F439 PolarHBondContact N-O 3.08Å; I346-F439 PolarHBondContact O-N 3.03Å; I346-I441 HydrophobicContact CD1-CD1 3.66Å; I346-I441 HydrophobicContact CG1-CD1 3.9Å; I346-L452 HydrophobicContact CG2-CD1 4.36Å; I346-L452 HydrophobicContact CG2-CD2 4.16Å; I346-I478 HydrophobicContact CG2-CG2 3.6Å; I346-W479 CarbonylContact C-O 3.57Å; I346-W479 WeakPolarHBondContact CA-O 3.39Å; I346-L480 HydrophobicContact CD1-CD2 3.77Å; I346-L480 HydrophobicContact CD1-CG 4.23Å; I346-L480 HydrophobicContact CG1-CB 4.22Å; I346-L480 HydrophobicContact CG1-CD2 4.04Å; I346-L480 HydrophobicContact CG1-CG 3.94Å; I346-L480 HydrophobicContact CG2-CG 4.14Å
347Y93.6Very high87.7Confident24 Ų2449.5 Ų49.59%0.09428%0.282CS..EExtended strand (participates in β ladder)trans-145.3158-174.561.3-86.5000111V432 S435 F437 S438 I478 W479 V481 P485Y347-V432 HydrophobicContact CD1-CG2 4Å; Y347-V432 HydrophobicContact CD2-CB 4.03Å; Y347-V432 HydrophobicContact CD2-CG1 3.89Å; Y347-V432 HydrophobicContact CD2-CG2 4.41Å; Y347-V432 HydrophobicContact CE2-CG1 4.01Å; Y347-V432 HydrophobicContact CG-CB 3.95Å; Y347-V432 HydrophobicContact CG-CG1 4.2Å; Y347-V432 HydrophobicContact CG-CG2 3.87Å; Y347-S435 VanDerWaalsContact CD2-OG 3.32Å; Y347-S435 WeakPolarHBondContact CD2-OG 3.22Å; Y347-F437 WeakPolarHBondContact CA-O 3.3Å; Y347-F437 WeakPolarHBondContact CB-O 3.39Å; Y347-S438 VanDerWaalsContact CB-OG 3.28Å; Y347-S438 WeakPolarHBondContact CB-OG 3.27Å; Y347-I478 CarbonylContact O-C 3.52Å; Y347-I478 WeakPolarHBondContact O-CA 3.32Å; Y347-W479 HydrophobicContact CD1-CB 4.1Å; Y347-W479 HydrophobicContact CD2-CB 4.02Å; Y347-W479 HydrophobicContact CD2-CG 4.37Å; Y347-W479 HydrophobicContact CE1-CB 3.65Å; Y347-W479 HydrophobicContact CE2-CB 3.6Å; Y347-W479 AromaticContact CE2-CD1 3.8Å; Y347-W479 AromaticContact CE2-CG 3.7Å; Y347-W479 HydrophobicContact CE2-CG 3.7Å; Y347-W479 HydrophobicContact CG-CB 4.28Å; Y347-W479 AromaticContact CZ-CG 3.8Å; Y347-W479 PolarHBondContact N-O 3.35Å; Y347-W479 PolarHBondContact O-N 2.73Å; Y347-V481 HydrophobicContact CE1-CG1 4.37Å; Y347-V481 HydrophobicContact CE1-CG2 3.71Å; Y347-P485 HydrophobicContact CD1-CG 4.05Å; Y347-P485 HydrophobicContact CE1-CB 4.39Å; Y347-P485 HydrophobicContact CE1-CG 3.35Å; Y347-P485 HydrophobicContact CE2-CG 4.43Å
348G93.3Very high87.6Confident3 Ų343 Ų433%0.03124%0.243CC..EExtended strand (participates in β ladder)trans154-153.9172.900000113.1Q436 F437 D477G348-Q436 PolarHBondContact O-N 3.34Å; G348-F437 PolarHBondContact N-O 3.29Å; G348-F437 WeakPolarHBondContact O-CD1 3.47Å; G348-F437 VanDerWaalsContact O-CE1 3.26Å; G348-F437 WeakPolarHBondContact O-CE1 3.46Å; G348-F437 PolarHBondContact O-N 3.07Å; G348-D477 CarbonylContact C-O 3.51Å; G348-D477 VanDerWaalsContact CA-O 3.26Å; G348-D477 WeakPolarHBondContact CA-O 3.36Å
349N93.4Very high88Confident55 Ų5541.1 Ų41.129%0.29423%0.228SC..EExtended strand (participates in β ladder)trans-127.6132.9-169.4-60.1-27.6000110G434 S435 Q436 Y476 D477N349-G434 PolarHBondContact ND2-O 3.14Å; N349-S435 VanDerWaalsContact OD1-CA 3.28Å; N349-S435 WeakPolarHBondContact OD1-CA 3.1Å; N349-Q436 HydrophobicContact CB-CG 4.35Å; N349-Q436 WeakPolarHBondContact OD1-CG 3.48Å; N349-Q436 PolarHBondContact OD1-N 2.89Å; N349-Y476 CarbonylContact O-C 3.47Å; N349-Y476 WeakPolarHBondContact O-CA 3.3Å; N349-D477 PolarHBondContact N-O 3.4Å; N349-D477 PolarHBondContact O-N 3.37Å
350I93Very high88.4Confident0 Ų038.4 Ų38.40%021%0.214CC..EExtended strand (participates in β ladder)trans-130.3102.3172.2-58.9173.2000107.4L361 V414 P415 C416 F437 L474 N475 I478I350-L361 HydrophobicContact CD1-CB 4.16Å; I350-L361 HydrophobicContact CD1-CD1 3.91Å; I350-L361 HydrophobicContact CD1-CD2 3.66Å; I350-L361 HydrophobicContact CD1-CG 4.13Å; I350-V414 HydrophobicContact CB-CB 4.34Å; I350-V414 HydrophobicContact CB-CG1 3.99Å; I350-V414 HydrophobicContact CD1-CG1 3.77Å; I350-V414 HydrophobicContact CG1-CG1 4.47Å; I350-V414 HydrophobicContact CG2-CB 3.81Å; I350-V414 HydrophobicContact CG2-CG1 3.98Å; I350-V414 HydrophobicContact CG2-CG2 4.36Å; I350-P415 WeakPolarHBondContact O-CA 3.1Å; I350-C416 PolarHBondContact O-N 2.77Å; I350-F437 HydrophobicContact CD1-CE1 3.97Å; I350-F437 HydrophobicContact CD1-CZ 4.22Å; I350-F437 HydrophobicContact CG1-CE1 3.96Å; I350-L474 HydrophobicContact CG2-CB 4.15Å; I350-L474 HydrophobicContact CG2-CD1 4.39Å; I350-N475 WeakPolarHBondContact CA-O 3.38Å; I350-I478 HydrophobicContact CD1-CD1 3.75Å; I350-I478 HydrophobicContact CD1-CG1 4.43Å; I350-I478 HydrophobicContact CG1-CD1 4.04Å; I350-I478 HydrophobicContact CG1-CG1 4.25Å
351T91.8Very high88.9Confident31 Ų3133.8 Ų33.819%0.1919%0.192CC..EExtended strand (participates in β ladder)trans-119.6158.2-172.258.40000111.4F418 N475T351-F418 HydrophobicContact CG2-CD1 3.96Å; T351-F418 HydrophobicContact CG2-CE1 3.99Å; T351-N475 PolarHBondContact N-O 2.93Å; T351-N475 PolarHBondContact O-N 3.19Å
352S90Very high89.4Confident6 Ų632.5 Ų32.54%0.04218%0.179CC..  trans-150.6158.2171.7-1690000110.2S354 F418 V472 R473S352-S354 PolarHBondContact O-N 3.45Å; S352-S354 PolarHBondContact OG-N 3.32Å; S352-F418 WeakPolarHBondContact O-CE2 3.11Å; S352-F418 VanDerWaalsContact O-CZ 3.3Å; S352-F418 WeakPolarHBondContact O-CZ 3.27Å; S352-V472 WeakPolarHBondContact OG-CG1 3.33Å; S352-R473 VanDerWaalsContact CB-O 3.31Å; S352-R473 WeakPolarHBondContact CB-O 3.12Å; S352-R473 PolarHBondContact OG-O 2.9Å
353S86.5Confident89.7Confident121 Ų12132.3 Ų32.385%0.84618%0.177SC*.SBendtrans-63.5-24.4169.453.60000112.8
354S83.1Confident89.7Confident36 Ų3630.2 Ų30.225%0.25217%0.169SC..  trans-85137.6173.1-174.70000110.8S352 V356 P415S352-S354 PolarHBondContact O-N 3.45Å; S352-S354 PolarHBondContact OG-N 3.32Å; S354-V356 VanDerWaalsContact C-N 3.31Å; S354-V356 PolarHBondContact OG-N 2.93Å; S354-P415 VanDerWaalsContact O-CG 3.31Å; S354-P415 WeakPolarHBondContact O-CG 3.4Å
355K80Confident89.4Confident204 Ų20431.4 Ų31.489%0.88718%0.176SC*.  trans-85.6-3.5170.6-65.3-172.6176.9-1730113.3
356V83.7Confident88.8Confident76 Ų7634.5 Ų34.546%0.46119%0.188SC..SBendtrans-81.3123.9-176.8-177.70000109.4S354 A358 P415S354-V356 VanDerWaalsContact C-N 3.31Å; S354-V356 PolarHBondContact OG-N 2.93Å; V356-A358 PolarHBondContact O-N 3.48Å; V356-P415 VanDerWaalsContact O-CD 3.3Å; V356-P415 WeakPolarHBondContact O-CD 3.47Å
357T83.9Confident88Confident60 Ų6039 Ų3937%0.36821%0.212SC..  trans-54.2119.8170.1-51.60000109.6A413 L458T357-A413 HydrophobicContact CG2-CB 3.68Å; T357-L458 HydrophobicContact CG2-CD2 3.85Å; T357-L458 WeakPolarHBondContact O-CD1 3.45Å
358A85.6Confident87.6Confident0 Ų038.3 Ų38.30%021%0.21CC..  trans-119.3-20.1-171.200000113.2A316 V356 V414 S468 V472A316-A358 HydrophobicContact CB-CB 3.63Å; V356-A358 PolarHBondContact O-N 3.48Å; A358-V414 PolarHBondContact N-O 2.8Å; A358-S468 WeakPolarHBondContact O-CB 3.5Å; A358-S468 PolarHBondContact O-OG 3.25Å; A358-V472 HydrophobicContact CB-CB 3.52Å; A358-V472 HydrophobicContact CB-CG1 4.11Å; A358-V472 HydrophobicContact CB-CG2 3.64Å
359A90.4Very high87Confident0 Ų039 Ų390%021%0.212CC..EExtended strand (participates in β ladder)trans-155.2173.1178.700000112W314 A316 V414 T455 L474W314-A359 HydrophobicContact CH2-CB 3.96Å; W314-A359 HydrophobicContact CZ3-CB 3.53Å; A316-A359 HydrophobicContact CB-CB 4.38Å; A359-V414 HydrophobicContact CB-CG2 3.96Å; A359-V414 PolarHBondContact N-O 2.81Å; A359-V414 VanDerWaalsContact N-O 3.11Å; A359-V414 VanDerWaalsContact O-CG2 3.3Å; A359-V414 WeakPolarHBondContact O-CG2 3.3Å; A359-V414 PolarHBondContact O-N 2.8Å; A359-T455 VanDerWaalsContact CA-O 3.27Å; A359-T455 WeakPolarHBondContact CA-O 3.41Å; A359-T455 WeakPolarHBondContact CB-O 3.44Å; A359-L474 HydrophobicContact CB-CD1 3.98Å
360H91.8Very high85.8Confident11 Ų1138.7 Ų38.75%0.05121%0.207CC..EExtended strand (participates in β ladder)trans-111.9136.1164.1-7378.8000110.4V362 F411 R412 T455 C457 W465H360-V362 HydrophobicContact CB-CG2 4.05Å; H360-F411 AromaticContact CD2-CD2 3.67Å; H360-R412 WeakPolarHBondContact CA-O 3.42Å; H360-T455 HydrophobicContact CB-CG2 3.8Å; H360-T455 PolarHBondContact N-O 2.87Å; H360-T455 VanDerWaalsContact N-O 3.08Å; H360-T455 PolarHBondContact O-N 3.13Å; H360-C457 PolarHBondContact ND1-O 3.27Å; H360-W465 AromaticContact CE1-CZ3 3.9Å; H360-W465 AromaticContact ND1-CZ3 3.7Å
361L93Very high85.1Confident0 Ų043.2 Ų43.20%023%0.227CC..EExtended strand (participates in β ladder)trans-82.4121.9161.3-17874.1000107.3L326 I350 F411 R412 V414 F437 F439 L452 L453 L454 I478L326-L361 HydrophobicContact CD1-CD1 3.98Å; I350-L361 HydrophobicContact CD1-CB 4.16Å; I350-L361 HydrophobicContact CD1-CD1 3.91Å; I350-L361 HydrophobicContact CD1-CD2 3.66Å; I350-L361 HydrophobicContact CD1-CG 4.13Å; L361-F411 CarbonylContact O-C 3.54Å; L361-F411 WeakPolarHBondContact O-CA 3.34Å; L361-F411 VanDerWaalsContact O-CB 3.25Å; L361-F411 WeakPolarHBondContact O-CB 3.08Å; L361-R412 HydrophobicContact CB-CB 4.46Å; L361-R412 PolarHBondContact N-O 3.2Å; L361-R412 PolarHBondContact O-N 3.11Å; L361-V414 HydrophobicContact CB-CG1 4.13Å; L361-F437 HydrophobicContact CD2-CD2 4.18Å; L361-F437 HydrophobicContact CD2-CE1 4.15Å; L361-F437 HydrophobicContact CD2-CE2 3.48Å; L361-F437 VanDerWaalsContact CD2-CE2 3.48Å; L361-F437 HydrophobicContact CD2-CZ 3.46Å; L361-F437 VanDerWaalsContact CD2-CZ 3.46Å; L361-F439 HydrophobicContact CD2-CE2 3.71Å; L361-F439 HydrophobicContact CD2-CZ 4.37Å; L361-F439 HydrophobicContact CG-CE2 4.31Å; L361-L452 HydrophobicContact CD1-CD1 3.7Å; L361-L452 HydrophobicContact CD1-CD2 4.11Å; L361-L452 HydrophobicContact CD1-CG 3.76Å; L361-L452 HydrophobicContact CD2-CD1 4.12Å; L361-L452 HydrophobicContact CG-CD1 3.82Å; L361-L452 HydrophobicContact CG-CG 4.44Å; L361-L453 CarbonylContact C-O 3.55Å; L361-L453 WeakPolarHBondContact CA-O 3.12Å; L361-L454 HydrophobicContact CB-CD2 4.33Å; L361-L454 HydrophobicContact CD1-CD2 4.01Å; L361-L454 HydrophobicContact CD1-CG 4.43Å; L361-I478 HydrophobicContact CD1-CD1 4.16Å
362V91.9Very high84.4Confident2 Ų241.8 Ų41.81%0.01222%0.218CC..EExtended strand (participates in β ladder)trans-121.9127.4-175.5-169.90000109.8H360 V364 M390 V393 F410 F411 L453 T455H360-V362 HydrophobicContact CB-CG2 4.05Å; V362-V364 HydrophobicContact CG1-CG1 3.91Å; V362-M390 HydrophobicContact CG1-CE 4.39Å; V362-M390 HydrophobicContact CG2-CE 3.8Å; V362-M390 HydrophobicContact CG2-SD 4.49Å; V362-V393 HydrophobicContact CG1-CG1 4.28Å; V362-V393 HydrophobicContact CG1-CG2 4.25Å; V362-F410 CarbonylContact C-O 3.47Å; V362-F410 VanDerWaalsContact CA-O 3.3Å; V362-F410 WeakPolarHBondContact CA-O 3.39Å; V362-F411 HydrophobicContact CG2-CB 4.14Å; V362-L453 HydrophobicContact CB-CB 4.28Å; V362-L453 PolarHBondContact N-O 2.92Å; V362-L453 WeakPolarHBondContact O-CB 3.43Å; V362-L453 PolarHBondContact O-N 3.22Å; V362-T455 HydrophobicContact CG2-CG2 3.68Å
363L92.3Very high83.4Confident4 Ų442.5 Ų42.52%0.02122%0.223CC..EExtended strand (participates in β ladder)trans-106.2124.6174.7176.462.5000109.4I346 F410 F439 I441 W450 L452I346-L363 HydrophobicContact CD1-CD1 3.45Å; I346-L363 VanDerWaalsContact CD1-CD1 3.45Å; I346-L363 HydrophobicContact CD1-CD2 4.04Å; I346-L363 HydrophobicContact CD1-CG 4.35Å; L363-F410 PolarHBondContact N-O 2.92Å; L363-F410 WeakPolarHBondContact O-CD1 3.41Å; L363-F439 HydrophobicContact CB-CD2 4.3Å; L363-F439 HydrophobicContact CB-CE2 4.22Å; L363-F439 HydrophobicContact CB-CG 4.47Å; L363-F439 HydrophobicContact CB-CZ 4.34Å; L363-F439 HydrophobicContact CD2-CB 3.58Å; L363-F439 HydrophobicContact CD2-CD1 4.15Å; L363-F439 HydrophobicContact CD2-CD2 4.03Å; L363-F439 HydrophobicContact CD2-CG 3.68Å; L363-I441 HydrophobicContact CD1-CD1 4.36Å; L363-I441 HydrophobicContact CD2-CD1 3.93Å; L363-I441 HydrophobicContact CD2-CG1 3.94Å; L363-W450 HydrophobicContact CD1-CB 4.1Å; L363-W450 HydrophobicContact CD1-CE3 3.85Å; L363-W450 HydrophobicContact CD2-CE3 4.18Å; L363-W450 HydrophobicContact CD2-CZ3 4.36Å; L363-W450 HydrophobicContact CG-CE3 3.76Å; L363-W450 HydrophobicContact CG-CZ3 4.15Å; L363-L452 HydrophobicContact CB-CD1 4.36Å; L363-L452 HydrophobicContact CD1-CD1 4.46Å
364V88.8Confident82.5Confident0 Ų038.9 Ų38.90%019%0.192CC..EExtended strand (participates in β ladder)trans-137.6148.2179-63.80000111.1V362 L368 F369 L372 V393 W450 Y451 L453V362-V364 HydrophobicContact CG1-CG1 3.91Å; V364-L368 HydrophobicContact CB-CB 4.07Å; V364-L368 HydrophobicContact CB-CD2 3.99Å; V364-L368 HydrophobicContact CB-CG 4.02Å; V364-L368 HydrophobicContact CG1-CB 4.44Å; V364-L368 HydrophobicContact CG1-CD2 3.54Å; V364-L368 HydrophobicContact CG1-CG 3.83Å; V364-F369 HydrophobicContact CG2-CB 3.75Å; V364-F369 HydrophobicContact CG2-CD2 4.25Å; V364-L372 HydrophobicContact CB-CD1 4.48Å; V364-L372 HydrophobicContact CG1-CD1 3.77Å; V364-L372 HydrophobicContact CG2-CD1 4.16Å; V364-V393 HydrophobicContact CG1-CG2 4.25Å; V364-W450 CarbonylContact O-C 3.3Å; V364-W450 WeakPolarHBondContact O-CA 3.37Å; V364-Y451 PolarHBondContact N-O 3.05Å; V364-Y451 PolarHBondContact O-N 3.08Å; V364-L453 HydrophobicContact CG2-CD1 3.63Å; V364-L453 HydrophobicContact CG2-CG 4.32Å
365D86.8Confident81.8Confident26 Ų2638.6 Ų38.614%0.13919%0.189CC..EExtended strand (participates in β ladder)trans-75173.2170.474.69.3000111.7D367 L368 F369 R448 W450D365-D367 PolarHBondContact O-N 3.33Å; D365-D367 PolarHBondContact OD1-N 3.22Å; D365-D367 VanDerWaalsContact OD1-N 3.13Å; D365-L368 PolarHBondContact O-N 3.47Å; D365-L368 PolarHBondContact OD1-N 2.93Å; D365-F369 WeakPolarHBondContact O-CB 3.45Å; D365-F369 PolarHBondContact O-N 2.98Å; D365-R448 IonicContact OD2-NH1 3.91Å; D365-R448 PolarHBondContact OD2-NH1 3.05Å; D365-W450 HydrophobicContact CB-CD2 4Å; D365-W450 HydrophobicContact CB-CE3 4.08Å; D365-W450 HydrophobicContact CB-CH2 4.24Å; D365-W450 HydrophobicContact CB-CZ2 4.14Å; D365-W450 HydrophobicContact CB-CZ3 4.2Å
366Y78.7Confident81.3Confident65 Ų6531 Ų3126%0.25516%0.158SC..Hα-helixtrans-55.7-35.8-179.9177.6-106.6000114.3R370 F449 Y451Y366-R370 HydrophobicContact CE1-CG 4.49Å; Y366-R370 HydrophobicContact CE2-CG 4.26Å; Y366-R370 WeakPolarHBondContact O-CB 3.08Å; Y366-R370 VanDerWaalsContact O-CG 3.3Å; Y366-R370 WeakPolarHBondContact O-CG 3.46Å; Y366-R370 PolarHBondContact O-N 3.37Å; Y366-R370 WeakPolarHBondContact OH-CD 3.49Å; Y366-F449 PolarHBondContact N-O 3.39Å; Y366-Y451 AromaticContact CD2-CE2 3.74Å; Y366-Y451 HydrophobicContact CD2-CE2 3.74Å; Y366-Y451 AromaticContact CD2-CZ 3.96Å; Y366-Y451 WeakPolarHBondContact CD2-OH 3.36Å; Y366-Y451 HydrophobicContact CG-CE2 4.38Å
367D77.3Confident80.3Confident95 Ų9533.4 Ų33.451%0.50817%0.168SC..Hα-helixtrans-74.9-44-176.6-69.4-39.1000110.9D365 R370 K371D365-D367 PolarHBondContact O-N 3.33Å; D365-D367 PolarHBondContact OD1-N 3.22Å; D365-D367 VanDerWaalsContact OD1-N 3.13Å; D367-R370 PolarHBondContact O-N 2.98Å; D367-K371 PolarHBondContact O-N 2.92Å; D367-K371 VanDerWaalsContact O-N 3.15Å
368L84.3Confident79.2Confident10 Ų1032.7 Ų32.75%0.05217%0.165CC..Hα-helixtrans-70.4-38.4174.9-175.360000111.7V364 D365 R370 K371 L372 P392 V393 L396 F410V364-L368 HydrophobicContact CB-CB 4.07Å; V364-L368 HydrophobicContact CB-CD2 3.99Å; V364-L368 HydrophobicContact CB-CG 4.02Å; V364-L368 HydrophobicContact CG1-CB 4.44Å; V364-L368 HydrophobicContact CG1-CD2 3.54Å; V364-L368 HydrophobicContact CG1-CG 3.83Å; D365-L368 PolarHBondContact O-N 3.47Å; D365-L368 PolarHBondContact OD1-N 2.93Å; L368-R370 VanDerWaalsContact C-N 3.26Å; L368-R370 PolarHBondContact O-N 3.48Å; L368-K371 HydrophobicContact CD1-CB 4.49Å; L368-K371 HydrophobicContact CD1-CD 4.47Å; L368-K371 WeakPolarHBondContact O-CB 3.35Å; L368-K371 PolarHBondContact O-N 2.85Å; L368-K371 VanDerWaalsContact O-N 3.1Å; L368-L372 WeakPolarHBondContact O-CG 3.46Å; L368-L372 PolarHBondContact O-N 3Å; L368-P392 HydrophobicContact CD1-CB 3.86Å; L368-V393 HydrophobicContact CD2-CG2 4.29Å; L368-L396 HydrophobicContact CD1-CD1 4.43Å; L368-L396 HydrophobicContact CD2-CD1 4.26Å; L368-F410 HydrophobicContact CD2-CD2 4.06Å; L368-F410 HydrophobicContact CD2-CE2 3.61Å; L368-F410 HydrophobicContact CD2-CZ 4.2Å
369F80Confident77.9Confident17 Ų1733 Ų338%0.07517%0.167CC..Hα-helixtrans-55.9-42.7171.6177.9-107.9000111.6M323 V325 V364 D365 L372 S373 Y451 L453M323-F369 HydrophobicContact CE-CD2 4.06Å; M323-F369 HydrophobicContact CE-CE2 3.6Å; V325-F369 HydrophobicContact CG2-CE2 3.64Å; V325-F369 HydrophobicContact CG2-CZ 3.83Å; V364-F369 HydrophobicContact CG2-CB 3.75Å; V364-F369 HydrophobicContact CG2-CD2 4.25Å; D365-F369 WeakPolarHBondContact O-CB 3.45Å; D365-F369 PolarHBondContact O-N 2.98Å; F369-L372 PolarHBondContact O-N 2.98Å; F369-S373 WeakPolarHBondContact O-CB 3.5Å; F369-S373 PolarHBondContact O-N 2.63Å; F369-S373 PolarHBondContact O-OG 3.31Å; F369-Y451 HydrophobicContact CB-CD2 3.56Å; F369-Y451 HydrophobicContact CB-CE2 4.13Å; F369-Y451 HydrophobicContact CB-CG 3.85Å; F369-Y451 AromaticContact CD1-CD1 3.75Å; F369-Y451 HydrophobicContact CD1-CD1 3.75Å; F369-Y451 AromaticContact CD1-CD2 3.92Å; F369-Y451 HydrophobicContact CD1-CD2 3.92Å; F369-Y451 AromaticContact CD1-CE1 3.7Å; F369-Y451 HydrophobicContact CD1-CE1 3.7Å; F369-Y451 AromaticContact CD1-CE2 3.91Å; F369-Y451 HydrophobicContact CD1-CE2 3.91Å; F369-Y451 AromaticContact CD1-CG 3.86Å; F369-Y451 HydrophobicContact CD1-CG 3.86Å; F369-Y451 AromaticContact CD1-CZ 3.79Å; F369-Y451 AromaticContact CD2-CD1 3.87Å; F369-Y451 HydrophobicContact CD2-CD1 3.87Å; F369-Y451 HydrophobicContact CD2-CD2 4.28Å; F369-Y451 AromaticContact CD2-CG 3.67Å; F369-Y451 HydrophobicContact CD2-CG 3.67Å; F369-Y451 AromaticContact CE1-CD1 3.8Å; F369-Y451 HydrophobicContact CE1-CD1 3.8Å; F369-Y451 AromaticContact CE1-CE1 3.66Å; F369-Y451 HydrophobicContact CE1-CE1 3.66Å; F369-Y451 HydrophobicContact CE1-CG 4.36Å; F369-Y451 AromaticContact CE2-CD1 3.94Å; F369-Y451 HydrophobicContact CE2-CD1 3.94Å; F369-Y451 HydrophobicContact CE2-CG 4.21Å; F369-Y451 AromaticContact CG-CD1 3.79Å; F369-Y451 HydrophobicContact CG-CD1 3.79Å; F369-Y451 AromaticContact CG-CD2 3.64Å; F369-Y451 HydrophobicContact CG-CD2 3.64Å; F369-Y451 HydrophobicContact CG-CE1 4.2Å; F369-Y451 HydrophobicContact CG-CE2 4.11Å; F369-Y451 AromaticContact CG-CG 3.48Å; F369-Y451 HydrophobicContact CG-CG 3.48Å; F369-Y451 VanDerWaalsContact CG-CG 3.48Å; F369-Y451 AromaticContact CZ-CD1 3.9Å; F369-Y451 HydrophobicContact CZ-CD1 3.9Å; F369-Y451 HydrophobicContact CZ-CE1 4.14Å; F369-L453 HydrophobicContact CD2-CD1 4.28Å; F369-L453 HydrophobicContact CD2-CD2 4.01Å; F369-L453 HydrophobicContact CE2-CD2 3.83Å
370R69.7Low76.4Confident48 Ų4840.5 Ų40.518%0.18121%0.208CC..Hα-helixtrans-62.6-43.9176.1-82.5176.149.1-169.3-26.1111.9F276 Y366 D367 L368 L372 S373 H374F276-R370 HydrophobicContact CB-CG 4.46Å; Y366-R370 HydrophobicContact CE1-CG 4.49Å; Y366-R370 HydrophobicContact CE2-CG 4.26Å; Y366-R370 WeakPolarHBondContact O-CB 3.08Å; Y366-R370 VanDerWaalsContact O-CG 3.3Å; Y366-R370 WeakPolarHBondContact O-CG 3.46Å; Y366-R370 PolarHBondContact O-N 3.37Å; Y366-R370 WeakPolarHBondContact OH-CD 3.49Å; D367-R370 PolarHBondContact O-N 2.98Å; L368-R370 VanDerWaalsContact C-N 3.26Å; L368-R370 PolarHBondContact O-N 3.48Å; R370-L372 VanDerWaalsContact C-N 3.35Å; R370-L372 PolarHBondContact O-N 3.35Å; R370-S373 WeakPolarHBondContact CA-OG 3.42Å; R370-S373 PolarHBondContact O-N 3.37Å; R370-S373 PolarHBondContact O-OG 3.48Å; R370-H374 PolarHBondContact O-CD2 3.37Å; R370-H374 PolarHBondContact O-N 3.13Å
371K78.7Confident74.7Confident96 Ų9647.4 Ų47.442%0.41724%0.238SC..Hα-helixtrans-57.6-47.5173.6-69-179174.6-168.50110.8E273 D367 L368 H374 V375E273-K371 WeakPolarHBondContact OE1-CE 3.26Å; E273-K371 IonicContact OE1-NZ 2.77Å; E273-K371 PolarHBondContact OE1-NZ 2.01Å; D367-K371 PolarHBondContact O-N 2.92Å; D367-K371 VanDerWaalsContact O-N 3.15Å; L368-K371 HydrophobicContact CD1-CB 4.49Å; L368-K371 HydrophobicContact CD1-CD 4.47Å; L368-K371 WeakPolarHBondContact O-CB 3.35Å; L368-K371 PolarHBondContact O-N 2.85Å; L368-K371 VanDerWaalsContact O-N 3.1Å; K371-H374 WeakPolarHBondContact O-CB 3.46Å; K371-H374 PolarHBondContact O-N 3.35Å; K371-V375 WeakPolarHBondContact O-CG2 3.4Å; K371-V375 PolarHBondContact O-N 2.99Å; K371-V375 VanDerWaalsContact O-N 3.11Å
372L76Confident73.3Confident1 Ų151.2 Ų51.21%0.00526%0.255CS..Hα-helixtrans-61.8-45.9177.3-69.5-177.5000113.4M323 V364 L368 F369 R370 H374 V375 L376 L389 V393 L453M323-L372 HydrophobicContact CE-CB 4.49Å; M323-L372 HydrophobicContact SD-CB 4.46Å; V364-L372 HydrophobicContact CB-CD1 4.48Å; V364-L372 HydrophobicContact CG1-CD1 3.77Å; V364-L372 HydrophobicContact CG2-CD1 4.16Å; L368-L372 WeakPolarHBondContact O-CG 3.46Å; L368-L372 PolarHBondContact O-N 3Å; F369-L372 PolarHBondContact O-N 2.98Å; R370-L372 VanDerWaalsContact C-N 3.35Å; R370-L372 PolarHBondContact O-N 3.35Å; L372-H374 VanDerWaalsContact C-N 3.28Å; L372-H374 PolarHBondContact O-N 2.92Å; L372-V375 PolarHBondContact O-N 3.33Å; L372-V375 VanDerWaalsContact O-N 3.09Å; L372-L376 PolarHBondContact O-N 3.3Å; L372-L389 HydrophobicContact CD2-CD1 4.28Å; L372-L389 WeakPolarHBondContact CD2-O 3.14Å; L372-V393 HydrophobicContact CD1-CG2 3.97Å; L372-V393 HydrophobicContact CD2-CG2 3.97Å; L372-V393 HydrophobicContact CG-CG2 4.4Å; L372-L453 HydrophobicContact CD1-CD1 3.77Å
373S69.7Low72.2Confident21 Ų2160.8 Ų60.815%0.14730%0.297CS..Hα-helixtrans-62.1-37.2179.3670000112F369 R370 L376 D377F369-S373 WeakPolarHBondContact O-CB 3.5Å; F369-S373 PolarHBondContact O-N 2.63Å; F369-S373 PolarHBondContact O-OG 3.31Å; R370-S373 WeakPolarHBondContact CA-OG 3.42Å; R370-S373 PolarHBondContact O-N 3.37Å; R370-S373 PolarHBondContact O-OG 3.48Å; S373-L376 PolarHBondContact O-N 3.49Å; S373-D377 PolarHBondContact O-N 3.08Å
374H66.5Low71.5Confident44 Ų4465.7 Ų65.720%0.20432%0.323CS..Hα-helixtrans-63.6-41.7172.9-79.5-59.7000112F276 F279 R370 K371 L372 S378F276-H374 AromaticContact CD2-CE1 3.21Å; F276-H374 WeakPolarHBondContact CD2-CE1 3.37Å; F276-H374 AromaticContact CD2-NE2 3.31Å; F276-H374 VanDerWaalsContact CD2-NE2 3.31Å; F276-H374 WeakPolarHBondContact CD2-NE2 3.32Å; F276-H374 AromaticContact CE2-CE1 3.92Å; F276-H374 AromaticContact CG-NE2 3.87Å; F279-H374 AromaticContact CD1-CE1 3.26Å; F279-H374 WeakPolarHBondContact CD1-CE1 3.44Å; F279-H374 AromaticContact CD1-ND1 3.8Å; F279-H374 AromaticContact CE1-CE1 3.64Å; F279-H374 AromaticContact CE1-ND1 3.69Å; F279-H374 AromaticContact CG-CE1 3.76Å; R370-H374 PolarHBondContact O-CD2 3.37Å; R370-H374 PolarHBondContact O-N 3.13Å; K371-H374 WeakPolarHBondContact O-CB 3.46Å; K371-H374 PolarHBondContact O-N 3.35Å; L372-H374 VanDerWaalsContact C-N 3.28Å; L372-H374 PolarHBondContact O-N 2.92Å; H374-S378 PolarHBondContact O-N 2.89Å; H374-S378 PolarHBondContact O-OG 2.95Å
375V69.8Low71.2Confident30 Ų3067.4 Ų67.418%0.18233%0.334CS..Hα-helixtrans-69.4-40.5179.2178.10000111.3K371 L372 D377 S378 S379 H388K371-V375 WeakPolarHBondContact O-CG2 3.4Å; K371-V375 PolarHBondContact O-N 2.99Å; K371-V375 VanDerWaalsContact O-N 3.11Å; L372-V375 PolarHBondContact O-N 3.33Å; L372-V375 VanDerWaalsContact O-N 3.09Å; V375-D377 VanDerWaalsContact C-N 3.34Å; V375-D377 PolarHBondContact O-N 3.32Å; V375-S378 WeakPolarHBondContact CA-OG 3.3Å; V375-S378 CarbonylContact O-C 3.54Å; V375-S378 PolarHBondContact O-N 3.22Å; V375-S378 PolarHBondContact O-OG 2.91Å; V375-S379 WeakPolarHBondContact O-CB 3.3Å; V375-S379 PolarHBondContact O-N 3.15Å; V375-H388 VanDerWaalsContact CG1-C 3.48Å; V375-H388 HydrophobicContact CG1-CB 4Å; V375-H388 WeakPolarHBondContact CG1-O 3.38Å
376L68.3Low71.2Confident45 Ų4566.3 Ų66.324%0.23633%0.328CS..Hα-helixtrans-58.1-46.6177.8-173.366.4000111.3L322 M323 L372 S373 S378 S379 L389L322-L376 HydrophobicContact CB-CD1 3.83Å; L322-L376 HydrophobicContact CD2-CD1 3.96Å; L322-L376 HydrophobicContact CG-CD1 4.42Å; M323-L376 HydrophobicContact CB-CD1 4.23Å; M323-L376 HydrophobicContact CB-CD2 4.18Å; L372-L376 PolarHBondContact O-N 3.3Å; S373-L376 PolarHBondContact O-N 3.49Å; L376-S378 PolarHBondContact O-N 3.01Å; L376-S379 PolarHBondContact O-N 3.41Å; L376-S379 PolarHBondContact O-OG 2.9Å; L376-L389 HydrophobicContact CB-CD1 4.02Å; L376-L389 HydrophobicContact CD1-CD1 4.26Å
377D62.8Low71.6Confident126 Ų12665 Ų6567%0.67433%0.332SS*.Hα-helixtrans-62-25.4176.8-78.5-11.4000113S373 V375S373-D377 PolarHBondContact O-N 3.08Å; V375-D377 VanDerWaalsContact C-N 3.34Å; V375-D377 PolarHBondContact O-N 3.32Å
378S62Low71.9Confident45 Ų4565 Ų6532%0.31533%0.328SS..Hα-helixtrans-90.6-24.917555.20000114.7H374 V375 L376 D380H374-S378 PolarHBondContact O-N 2.89Å; H374-S378 PolarHBondContact O-OG 2.95Å; V375-S378 WeakPolarHBondContact CA-OG 3.3Å; V375-S378 CarbonylContact O-C 3.54Å; V375-S378 PolarHBondContact O-N 3.22Å; V375-S378 PolarHBondContact O-OG 2.91Å; L376-S378 PolarHBondContact O-N 3.01Å; S378-D380 VanDerWaalsContact C-N 3.27Å; S378-D380 PolarHBondContact O-N 2.71Å
379S57.9Low72Confident6 Ų664.6 Ų64.64%0.04233%0.326CS..Hα-helixtrans-68.9-18.3-167.168.80000114.9V375 L376 K381 E382V375-S379 WeakPolarHBondContact O-CB 3.3Å; V375-S379 PolarHBondContact O-N 3.15Å; L376-S379 PolarHBondContact O-N 3.41Å; L376-S379 PolarHBondContact O-OG 2.9Å; S379-K381 PolarHBondContact O-N 3.35Å; S379-E382 PolarHBondContact O-N 3.14Å; S379-E382 VanDerWaalsContact O-N 3.16Å
380D58Low72.4Confident159 Ų15964 Ų6485%0.8532%0.323SS*.THydrogen-bonded Turntrans-59.6-7.7179.1-102.8-3.9000114S378S378-D380 VanDerWaalsContact C-N 3.27Å; S378-D380 PolarHBondContact O-N 2.71Å
381K57.4Low73.2Confident155 Ų15562.7 Ų62.767%0.67433%0.325SS*.THydrogen-bonded Turntrans-115.2-1.9-178.7-63.2-173.6-178.5179.40115.3S379S379-K381 PolarHBondContact O-N 3.35Å
382E62.6Low73.6Confident80 Ų8059.4 Ų59.437%0.37431%0.313SS..SBendtrans-103.2153.4-173.4-78.7167.8167.400113.3S379 D384 H388S379-E382 PolarHBondContact O-N 3.14Å; S379-E382 VanDerWaalsContact O-N 3.16Å; E382-D384 VanDerWaalsContact C-N 3.32Å; E382-D384 PolarHBondContact O-N 3.41Å; E382-H388 IonicContact OE1-CD2 3.35Å; E382-H388 PolarHBondContact OE1-CD2 3.07Å; E382-H388 IonicContact OE1-NE2 2.82Å; E382-H388 PolarHBondContact OE1-NE2 3.19Å; E382-H388 IonicContact OE2-CD2 2.7Å; E382-H388 PolarHBondContact OE2-CD2 3.25Å; E382-H388 IonicContact OE2-CG 3.04Å; E382-H388 IonicContact OE2-NE2 3.23Å
383K68.3Low74.1Confident203 Ų20359.3 Ų59.388%0.88331%0.313SS*.SBendtrans-64.7-35.9-179.7-77-176.5175.9-179.80112.4P385K383-P385 WeakPolarHBondContact O-CD 3.31Å
384D78.5Confident74.9Confident108 Ų10859.1 Ų59.158%0.57831%0.312SS*.  trans-126.173.8-175.2-64.8-45.3000111.3E382 C386 A387 H388E382-D384 VanDerWaalsContact C-N 3.32Å; E382-D384 PolarHBondContact O-N 3.41Å; D384-C386 PolarHBondContact O-N 2.74Å; D384-C386 VanDerWaalsContact O-N 3.16Å; D384-A387 HydrophobicContact CB-CB 4.12Å; D384-A387 PolarHBondContact O-N 3.22Å; D384-H388 PolarHBondContact O-N 3.37Å
385P81.9Confident75.8Confident35 Ų3564 Ų6423%0.22734%0.335CS..Hα-helixtrans-61.7-29.3-17325.2-35.4000112.8L322 K383 L389L322-P385 HydrophobicContact CD1-CG 4.49Å; L322-P385 HydrophobicContact CD2-CB 3.89Å; K383-P385 WeakPolarHBondContact O-CD 3.31Å; P385-L389 VanDerWaalsContact O-CB 3.3Å; P385-L389 WeakPolarHBondContact O-CB 2.99Å; P385-L389 PolarHBondContact O-N 3.43Å
386C87.6Confident76.6Confident3 Ų366.4 Ų66.42%0.0235%0.346CS..Hα-helixtrans-70.8-38.3178.3-81.90000114D384 H388 M390 C457 W465D384-C386 PolarHBondContact O-N 2.74Å; D384-C386 VanDerWaalsContact O-N 3.16Å; C386-H388 VanDerWaalsContact C-N 3.31Å; C386-M390 WeakPolarHBondContact O-CB 3.39Å; C386-M390 PolarHBondContact O-N 2.8Å; C386-C457 WeakPolarHBondContact CA-SG 2.91Å; C386-C457 HydrophobicContact CB-CB 3.61Å; C386-C457 WeakPolarHBondContact CB-SG 3.42Å; C386-C457 WeakPolarHBondContact SG-CA 2.98Å; C386-C457 WeakPolarHBondContact SG-CB 3.38Å; C386-C457 CovalentContact SG-SG 2.05Å; C386-C457 PolarHBondContact SG-SG 2.81Å; C386-W465 HydrophobicContact CB-CB 4.06Å
387A86.5Confident77.5Confident39 Ų3964.2 Ų64.232%0.32234%0.335SS..Hα-helixtrans-65.8-38.717800000111.2D384 G391D384-A387 HydrophobicContact CB-CB 4.12Å; D384-A387 PolarHBondContact O-N 3.22Å; A387-G391 WeakPolarHBondContact O-CA 3.45Å; A387-G391 PolarHBondContact O-N 3.28Å; A387-G391 VanDerWaalsContact O-N 3.08Å
388H83.7Confident78.6Confident95 Ų9562.7 Ų62.744%0.4432%0.322SS..Hα-helixtrans-72.3-48.2177-7639.3000111.1V375 E382 D384 C386 M390 G391 P392V375-H388 VanDerWaalsContact CG1-C 3.48Å; V375-H388 HydrophobicContact CG1-CB 4Å; V375-H388 WeakPolarHBondContact CG1-O 3.38Å; E382-H388 IonicContact OE1-CD2 3.35Å; E382-H388 PolarHBondContact OE1-CD2 3.07Å; E382-H388 IonicContact OE1-NE2 2.82Å; E382-H388 PolarHBondContact OE1-NE2 3.19Å; E382-H388 IonicContact OE2-CD2 2.7Å; E382-H388 PolarHBondContact OE2-CD2 3.25Å; E382-H388 IonicContact OE2-CG 3.04Å; E382-H388 IonicContact OE2-NE2 3.23Å; D384-H388 PolarHBondContact O-N 3.37Å; C386-H388 VanDerWaalsContact C-N 3.31Å; H388-M390 PolarHBondContact O-N 2.85Å; H388-G391 PolarHBondContact O-N 3.34Å; H388-P392 WeakPolarHBondContact O-CD 3.11Å
389L85.7Confident79.7Confident1 Ų161.8 Ų61.81%0.00531%0.313CS..Hα-helixtrans-57.5-49.6179.5-177.870.3000111.8L322 M323 L372 L376 P385L322-L389 HydrophobicContact CD2-CB 4.06Å; L322-L389 HydrophobicContact CD2-CD2 3.67Å; L322-L389 HydrophobicContact CD2-CG 4.39Å; L322-L389 HydrophobicContact CG-CD2 3.85Å; M323-L389 HydrophobicContact CB-CD2 3.96Å; M323-L389 HydrophobicContact SD-CD1 4.12Å; M323-L389 HydrophobicContact SD-CD2 4.34Å; L372-L389 HydrophobicContact CD2-CD1 4.28Å; L372-L389 WeakPolarHBondContact CD2-O 3.14Å; L376-L389 HydrophobicContact CB-CD1 4.02Å; L376-L389 HydrophobicContact CD1-CD1 4.26Å; P385-L389 VanDerWaalsContact O-CB 3.3Å; P385-L389 WeakPolarHBondContact O-CB 2.99Å; P385-L389 PolarHBondContact O-N 3.43Å
390M89.1Confident80.9Confident3 Ų367.8 Ų67.82%0.01534%0.338CS..Hα-helixtrans-87.4-3.7-174.3-63-57-66.400113.8V362 C386 H388 V393 S394 T455 C457 W465V362-M390 HydrophobicContact CG1-CE 4.39Å; V362-M390 HydrophobicContact CG2-CE 3.8Å; V362-M390 HydrophobicContact CG2-SD 4.49Å; C386-M390 WeakPolarHBondContact O-CB 3.39Å; C386-M390 PolarHBondContact O-N 2.8Å; H388-M390 PolarHBondContact O-N 2.85Å; M390-V393 HydrophobicContact CE-CB 4.03Å; M390-V393 HydrophobicContact CE-CG1 3.9Å; M390-V393 HydrophobicContact CE-CG2 4.29Å; M390-V393 PolarHBondContact O-N 2.86Å; M390-V393 VanDerWaalsContact O-N 3.17Å; M390-S394 PolarHBondContact O-N 3.05Å; M390-S394 PolarHBondContact O-OG 3.18Å; M390-T455 HydrophobicContact CE-CG2 4.36Å; M390-T455 HydrophobicContact SD-CG2 3.98Å; M390-C457 HydrophobicContact CG-CB 3.74Å; M390-W465 HydrophobicContact CB-CB 4.45Å; M390-W465 HydrophobicContact CB-CD2 3.47Å; M390-W465 VanDerWaalsContact CB-CD2 3.47Å; M390-W465 VanDerWaalsContact CB-CE2 3.47Å; M390-W465 HydrophobicContact CB-CE3 4.03Å; M390-W465 HydrophobicContact CB-CG 3.66Å; M390-W465 HydrophobicContact CB-CZ2 4.02Å; M390-W465 HydrophobicContact CE-CH2 3.63Å; M390-W465 HydrophobicContact CE-CZ2 3.9Å; M390-W465 HydrophobicContact CE-CZ3 4Å; M390-W465 HydrophobicContact CG-CD2 3.78Å; M390-W465 HydrophobicContact CG-CE3 3.79Å; M390-W465 HydrophobicContact CG-CG 4.25Å; M390-W465 HydrophobicContact CG-CH2 4.43Å; M390-W465 HydrophobicContact CG-CZ2 4.43Å; M390-W465 HydrophobicContact CG-CZ3 4.12Å
391G86.9Confident82.2Confident21 Ų2166.6 Ų66.622%0.21632%0.322CS..Hα-helixtrans-52.3-56.2177.700000113A387 H388 V393 S394 E395A387-G391 WeakPolarHBondContact O-CA 3.45Å; A387-G391 PolarHBondContact O-N 3.28Å; A387-G391 VanDerWaalsContact O-N 3.08Å; H388-G391 PolarHBondContact O-N 3.34Å; G391-V393 PolarHBondContact O-N 2.72Å; G391-S394 WeakPolarHBondContact O-CB 3.29Å; G391-S394 PolarHBondContact O-N 3.31Å; G391-E395 PolarHBondContact O-N 3.44Å
392P85.5Confident83.5Confident27 Ų2760.2 Ų60.218%0.17530%0.297CS..Hα-helixtrans-60-29.4178.4-25.734.9000114.4L368 H388L368-P392 HydrophobicContact CD1-CB 3.86Å; H388-P392 WeakPolarHBondContact O-CD 3.11Å
393V87.2Confident84.7Confident0 Ų058.6 Ų58.60%029%0.288CS..Hα-helixtrans-74.6-39.7176173.90000110V362 V364 L368 L372 M390 G391 E395 L396 A397 F410 F411V362-V393 HydrophobicContact CG1-CG1 4.28Å; V362-V393 HydrophobicContact CG1-CG2 4.25Å; V364-V393 HydrophobicContact CG1-CG2 4.25Å; L368-V393 HydrophobicContact CD2-CG2 4.29Å; L372-V393 HydrophobicContact CD1-CG2 3.97Å; L372-V393 HydrophobicContact CD2-CG2 3.97Å; L372-V393 HydrophobicContact CG-CG2 4.4Å; M390-V393 HydrophobicContact CE-CB 4.03Å; M390-V393 HydrophobicContact CE-CG1 3.9Å; M390-V393 HydrophobicContact CE-CG2 4.29Å; M390-V393 PolarHBondContact O-N 2.86Å; M390-V393 VanDerWaalsContact O-N 3.17Å; G391-V393 PolarHBondContact O-N 2.72Å; V393-E395 PolarHBondContact O-N 2.61Å; V393-L396 PolarHBondContact O-N 2.95Å; V393-L396 VanDerWaalsContact O-N 3.11Å; V393-A397 HydrophobicContact CG1-CB 3.85Å; V393-A397 WeakPolarHBondContact O-CB 3.35Å; V393-A397 PolarHBondContact O-N 3.37Å; V393-F410 HydrophobicContact CG1-CB 4.35Å; V393-F410 HydrophobicContact CG1-CD2 4.41Å; V393-F411 HydrophobicContact CG1-CD1 3.82Å; V393-F411 HydrophobicContact CG1-CE1 4.11Å
394S87.1Confident85.5Confident16 Ų1652.5 Ų52.511%0.11227%0.269CS..Hα-helixtrans-63.9-27.6-179.6-520000113.3M390 G391 L396 N406 W465M390-S394 PolarHBondContact O-N 3.05Å; M390-S394 PolarHBondContact O-OG 3.18Å; G391-S394 WeakPolarHBondContact O-CB 3.29Å; G391-S394 PolarHBondContact O-N 3.31Å; S394-L396 VanDerWaalsContact C-N 3.25Å; S394-L396 PolarHBondContact O-N 2.87Å; S394-N406 PolarHBondContact O-ND2 2.77Å; S394-W465 PolarHBondContact OG-NE1 3Å
395E85.1Confident85.8Confident148 Ų14854.5 Ų54.569%0.69228%0.28SS*.THydrogen-bonded Turntrans-69.5-21.9176.2-69.9176.9-17600113.3G391 V393G391-E395 PolarHBondContact O-N 3.44Å; V393-E395 PolarHBondContact O-N 2.61Å
396L86.7Confident86.1Confident79 Ų7954.9 Ų54.941%0.41428%0.281SS..THydrogen-bonded Turntrans-120.8-33-170.1-63.1173.9000113.3L368 V393 S394 N406 Q408 F410L368-L396 HydrophobicContact CD1-CD1 4.43Å; L368-L396 HydrophobicContact CD2-CD1 4.26Å; V393-L396 PolarHBondContact O-N 2.95Å; V393-L396 VanDerWaalsContact O-N 3.11Å; S394-L396 VanDerWaalsContact C-N 3.25Å; S394-L396 PolarHBondContact O-N 2.87Å; L396-N406 WeakPolarHBondContact O-CB 3.33Å; L396-Q408 WeakPolarHBondContact O-CB 3.4Å; L396-Q408 PolarHBondContact O-N 3.01Å; L396-F410 HydrophobicContact CB-CD2 4.26Å; L396-F410 HydrophobicContact CB-CE2 3.63Å; L396-F410 HydrophobicContact CD1-CE2 4.15Å
397A86.5Confident85.9Confident0 Ų065.9 Ų65.90%032%0.322CS..BIsolated β-bridgetrans-79131.4-171.900000111.9V393 F403 N406 Q408 F410 F411V393-A397 HydrophobicContact CG1-CB 3.85Å; V393-A397 WeakPolarHBondContact O-CB 3.35Å; V393-A397 PolarHBondContact O-N 3.37Å; A397-F403 WeakPolarHBondContact O-CB 3.07Å; A397-N406 VanDerWaalsContact C-CB 3.41Å; A397-N406 WeakPolarHBondContact O-CB 3.25Å; A397-N406 PolarHBondContact O-ND2 2.63Å; A397-Q408 CarbonylContact C-O 3.58Å; A397-Q408 VanDerWaalsContact CA-O 3.31Å; A397-Q408 WeakPolarHBondContact CA-O 3.43Å; A397-F410 HydrophobicContact CB-CB 3.88Å; A397-F410 HydrophobicContact CB-CD2 3.93Å; A397-F410 HydrophobicContact CB-CG 4.29Å; A397-F411 HydrophobicContact CB-CD1 3.75Å; A397-F411 HydrophobicContact CB-CE1 3.36Å; A397-F411 HydrophobicContact CB-CZ 4.37Å
398F86Confident85.8Confident93 Ų9368.7 Ų68.741%0.40833%0.328SS..  trans-73.5131.4169.3175.4-99.3000110.2P404 N406 Q408F398-P404 WeakPolarHBondContact CE2-O 3.3Å; F398-N406 HydrophobicContact CB-CB 4.33Å; F398-N406 VanDerWaalsContact CD2-O 3.27Å; F398-N406 WeakPolarHBondContact CD2-O 3.46Å; F398-Q408 PolarHBondContact N-O 2.77Å
399E85.1Confident85.9Confident27 Ų2767.1 Ų67.113%0.12632%0.323CS..BIsolated β-bridgetrans-144128.7167.3-164.3-74.8121.900107.9R401 C402 F403 F411 L459E399-R401 VanDerWaalsContact C-N 3.27Å; E399-R401 VanDerWaalsContact CD-N 3.33Å; E399-R401 PolarHBondContact O-N 2.97Å; E399-R401 PolarHBondContact OE1-N 3.12Å; E399-R401 WeakPolarHBondContact OE2-CA 3.46Å; E399-R401 WeakPolarHBondContact OE2-CB 2.98Å; E399-R401 PolarHBondContact OE2-N 3.11Å; E399-R401 VanDerWaalsContact OE2-N 3.08Å; E399-C402 PolarHBondContact O-N 3.24Å; E399-C402 VanDerWaalsContact OE2-CB 3.27Å; E399-C402 WeakPolarHBondContact OE2-CB 3.4Å; E399-C402 PolarHBondContact OE2-N 2.79Å; E399-F403 HydrophobicContact CB-CB 4.41Å; E399-F403 HydrophobicContact CB-CD2 3.98Å; E399-F403 PolarHBondContact N-O 2.94Å; E399-F403 CarbonylContact O-C 3.58Å; E399-F403 WeakPolarHBondContact O-CA 3.38Å; E399-F403 PolarHBondContact O-N 3.49Å; E399-F411 HydrophobicContact CB-CE2 4.01Å; E399-F411 HydrophobicContact CB-CZ 3.71Å; E399-F411 HydrophobicContact CG-CE2 3.71Å; E399-F411 HydrophobicContact CG-CZ 3.89Å; E399-L459 HydrophobicContact CG-CD2 4.17Å
400K83.4Confident85.9Confident131 Ų13167.6 Ų67.657%0.5733%0.325SS*.THydrogen-bonded Turntrans-56.8-37.9-167.6-171.1172.9-174.21640113.1D426K400-D426 IonicContact NZ-OD1 2.7Å; K400-D426 PolarHBondContact NZ-OD1 3.42Å; K400-D426 IonicContact NZ-OD2 3.19Å; K400-D426 PolarHBondContact NZ-OD2 3.03Å
401R84.5Confident85.9Confident134 Ų13467.6 Ų67.651%0.50633%0.325SS..THydrogen-bonded Turntrans-85.8-44.3-176-179.5178.862.1-178.2-0.8113E399 L459 N460E399-R401 VanDerWaalsContact C-N 3.27Å; E399-R401 VanDerWaalsContact CD-N 3.33Å; E399-R401 PolarHBondContact O-N 2.97Å; E399-R401 PolarHBondContact OE1-N 3.12Å; E399-R401 WeakPolarHBondContact OE2-CA 3.46Å; E399-R401 WeakPolarHBondContact OE2-CB 2.98Å; E399-R401 PolarHBondContact OE2-N 3.11Å; E399-R401 VanDerWaalsContact OE2-N 3.08Å; R401-L459 PolarHBondContact NH2-O 3.15Å; R401-N460 PolarHBondContact NH2-O 3.31Å; R401-N460 VanDerWaalsContact NH2-O 3.13Å
402C86Confident86.1Confident22 Ų2266.9 Ų66.915%0.14932%0.315CS..THydrogen-bonded Turntrans-107.7-32.3-166-65.60000113.7E399 P404 L459 C463E399-C402 PolarHBondContact O-N 3.24Å; E399-C402 VanDerWaalsContact OE2-CB 3.27Å; E399-C402 WeakPolarHBondContact OE2-CB 3.4Å; E399-C402 PolarHBondContact OE2-N 2.79Å; C402-P404 VanDerWaalsContact C-CD 3.46Å; C402-L459 HydrophobicContact CB-CD2 3.71Å; C402-L459 WeakPolarHBondContact SG-CD2 3.21Å; C402-C463 WeakPolarHBondContact CA-SG 3.35Å; C402-C463 HydrophobicContact CB-CB 3.58Å; C402-C463 WeakPolarHBondContact CB-SG 3.48Å; C402-C463 WeakPolarHBondContact SG-CA 3.42Å; C402-C463 WeakPolarHBondContact SG-CB 3.1Å; C402-C463 CovalentContact SG-SG 2.03Å; C402-C463 PolarHBondContact SG-SG 2.83Å
403F86.8Confident86.3Confident45 Ų4566 Ų6620%0.19731%0.31CS..BIsolated β-bridgetrans-132.857.2-174.9-48.7-61.6000112.4A397 E399 N405 N406 L459A397-F403 WeakPolarHBondContact O-CB 3.07Å; E399-F403 HydrophobicContact CB-CB 4.41Å; E399-F403 HydrophobicContact CB-CD2 3.98Å; E399-F403 PolarHBondContact N-O 2.94Å; E399-F403 CarbonylContact O-C 3.58Å; E399-F403 WeakPolarHBondContact O-CA 3.38Å; E399-F403 PolarHBondContact O-N 3.49Å; F403-N405 PolarHBondContact O-N 3.3Å; F403-N406 PolarHBondContact O-N 2.96Å; F403-L459 HydrophobicContact CE2-CD1 4.26Å; F403-L459 HydrophobicContact CE2-CD2 4.05Å; F403-L459 HydrophobicContact CZ-CD1 4.44Å
404P85.1Confident86.5Confident75 Ų7566 Ų6649%0.48731%0.31SS..THydrogen-bonded Turntrans-70.3-16.1-172.629.2-37000114.2F398 C402F398-P404 WeakPolarHBondContact CE2-O 3.3Å; C402-P404 VanDerWaalsContact C-CD 3.46Å
405N86.1Confident86.7Confident151 Ų15165.8 Ų65.881%0.80731%0.309SS*.THydrogen-bonded Turntrans-87.2-13-177.8-67.3-26.5000113.8F403F403-N405 PolarHBondContact O-N 3.3Å
406N86.4Confident86.9Confident43 Ų4358.9 Ų58.923%0.2328%0.277CS..  trans-77.5164.7-179.3-74.6-8.6000110.8S394 L396 A397 F398 F403S394-N406 PolarHBondContact O-ND2 2.77Å; L396-N406 WeakPolarHBondContact O-CB 3.33Å; A397-N406 VanDerWaalsContact C-CB 3.41Å; A397-N406 WeakPolarHBondContact O-CB 3.25Å; A397-N406 PolarHBondContact O-ND2 2.63Å; F398-N406 HydrophobicContact CB-CB 4.33Å; F398-N406 VanDerWaalsContact CD2-O 3.27Å; F398-N406 WeakPolarHBondContact CD2-O 3.46Å; F403-N406 PolarHBondContact O-N 2.96Å
407R83.7Confident87Confident234 Ų23458.4 Ų58.488%0.88328%0.279SS*.  trans-123.4-15.6-173-64.4-172.2-178.7-170.90114.6
408Q84.4Confident86.8Confident97 Ų9764.5 Ų64.545%0.45331%0.305SS..BIsolated β-bridgetrans-90.9133.6-173.8-61.6-63.6-31.200110.6L396 A397 F398 F410L396-Q408 WeakPolarHBondContact O-CB 3.4Å; L396-Q408 PolarHBondContact O-N 3.01Å; A397-Q408 CarbonylContact C-O 3.58Å; A397-Q408 VanDerWaalsContact CA-O 3.31Å; A397-Q408 WeakPolarHBondContact CA-O 3.43Å; F398-Q408 PolarHBondContact N-O 2.77Å; Q408-F410 HydrophobicContact CB-CD1 3.95Å; Q408-F410 HydrophobicContact CB-CD2 4.04Å; Q408-F410 HydrophobicContact CB-CE1 3.6Å; Q408-F410 HydrophobicContact CB-CE2 3.71Å; Q408-F410 HydrophobicContact CB-CG 4.16Å; Q408-F410 HydrophobicContact CB-CZ 3.48Å; Q408-F410 VanDerWaalsContact CB-CZ 3.48Å; Q408-F410 HydrophobicContact CG-CE1 4.19Å; Q408-F410 HydrophobicContact CG-CE2 4.2Å; Q408-F410 HydrophobicContact CG-CZ 3.77Å; Q408-F410 PolarHBondContact O-N 2.98Å
409D85.7Confident86.6Confident62 Ų6266.5 Ų66.533%0.33233%0.331SS..  trans-9495.9178.8-176.121.7000110.3R412D409-R412 IonicContact OD1-CZ 3.27Å; D409-R412 IonicContact OD1-NH1 3.9Å; D409-R412 PolarHBondContact OD1-NH1 2.98Å; D409-R412 IonicContact OD1-NH2 2.88Å; D409-R412 PolarHBondContact OD1-NH2 2.96Å; D409-R412 IonicContact OD2-CZ 2.78Å; D409-R412 IonicContact OD2-NH1 3.81Å; D409-R412 IonicContact OD2-NH2 3.23Å; D409-R412 PolarHBondContact OD2-NH2 2.77Å
410F87.2Confident86.7Confident12 Ų1270 Ų705%0.05335%0.351CS..  trans-115.2-16.8-168.6-73-17.3000115.2V362 L363 L368 V393 L396 A397 Q408 W450V362-F410 CarbonylContact C-O 3.47Å; V362-F410 VanDerWaalsContact CA-O 3.3Å; V362-F410 WeakPolarHBondContact CA-O 3.39Å; L363-F410 PolarHBondContact N-O 2.92Å; L363-F410 WeakPolarHBondContact O-CD1 3.41Å; L368-F410 HydrophobicContact CD2-CD2 4.06Å; L368-F410 HydrophobicContact CD2-CE2 3.61Å; L368-F410 HydrophobicContact CD2-CZ 4.2Å; V393-F410 HydrophobicContact CG1-CB 4.35Å; V393-F410 HydrophobicContact CG1-CD2 4.41Å; L396-F410 HydrophobicContact CB-CD2 4.26Å; L396-F410 HydrophobicContact CB-CE2 3.63Å; L396-F410 HydrophobicContact CD1-CE2 4.15Å; A397-F410 HydrophobicContact CB-CB 3.88Å; A397-F410 HydrophobicContact CB-CD2 3.93Å; A397-F410 HydrophobicContact CB-CG 4.29Å; Q408-F410 HydrophobicContact CB-CD1 3.95Å; Q408-F410 HydrophobicContact CB-CD2 4.04Å; Q408-F410 HydrophobicContact CB-CE1 3.6Å; Q408-F410 HydrophobicContact CB-CE2 3.71Å; Q408-F410 HydrophobicContact CB-CG 4.16Å; Q408-F410 HydrophobicContact CB-CZ 3.48Å; Q408-F410 VanDerWaalsContact CB-CZ 3.48Å; Q408-F410 HydrophobicContact CG-CE1 4.19Å; Q408-F410 HydrophobicContact CG-CE2 4.2Å; Q408-F410 HydrophobicContact CG-CZ 3.77Å; Q408-F410 PolarHBondContact O-N 2.98Å; F410-W450 HydrophobicContact CE1-CZ3 4.27Å
411F88.6Confident87.1Confident3 Ų365.4 Ų65.41%0.01333%0.332CS..EExtended strand (participates in β ladder)trans-149.8156.3-176.559.3-106000116H360 L361 V362 V393 A397 E399 W465H360-F411 AromaticContact CD2-CD2 3.67Å; L361-F411 CarbonylContact O-C 3.54Å; L361-F411 WeakPolarHBondContact O-CA 3.34Å; L361-F411 VanDerWaalsContact O-CB 3.25Å; L361-F411 WeakPolarHBondContact O-CB 3.08Å; V362-F411 HydrophobicContact CG2-CB 4.14Å; V393-F411 HydrophobicContact CG1-CD1 3.82Å; V393-F411 HydrophobicContact CG1-CE1 4.11Å; A397-F411 HydrophobicContact CB-CD1 3.75Å; A397-F411 HydrophobicContact CB-CE1 3.36Å; A397-F411 HydrophobicContact CB-CZ 4.37Å; E399-F411 HydrophobicContact CB-CE2 4.01Å; E399-F411 HydrophobicContact CB-CZ 3.71Å; E399-F411 HydrophobicContact CG-CE2 3.71Å; E399-F411 HydrophobicContact CG-CZ 3.89Å; F411-W465 HydrophobicContact CE1-CH2 4.29Å; F411-W465 HydrophobicContact CE1-CZ2 4.21Å; F411-W465 HydrophobicContact CE2-CH2 4.49Å; F411-W465 HydrophobicContact CZ-CH2 4.22Å; F411-W465 HydrophobicContact CZ-CZ2 4.23Å
412R90.7Very high87.3Confident5 Ų559.1 Ų59.12%0.01931%0.308CS..EExtended strand (participates in β ladder)trans-128.4135.9173.2-62.7-67.4176.1-83.2-2.1110.2H360 L361 D409 V414 C422 E425 F437 F439H360-R412 WeakPolarHBondContact CA-O 3.42Å; L361-R412 HydrophobicContact CB-CB 4.46Å; L361-R412 PolarHBondContact N-O 3.2Å; L361-R412 PolarHBondContact O-N 3.11Å; D409-R412 IonicContact OD1-CZ 3.27Å; D409-R412 IonicContact OD1-NH1 3.9Å; D409-R412 PolarHBondContact OD1-NH1 2.98Å; D409-R412 IonicContact OD1-NH2 2.88Å; D409-R412 PolarHBondContact OD1-NH2 2.96Å; D409-R412 IonicContact OD2-CZ 2.78Å; D409-R412 IonicContact OD2-NH1 3.81Å; D409-R412 IonicContact OD2-NH2 3.23Å; D409-R412 PolarHBondContact OD2-NH2 2.77Å; R412-V414 HydrophobicContact CB-CG1 4.49Å; R412-C422 HydrophobicContact CB-CB 4.5Å; R412-E425 IonicContact CZ-OE1 3.53Å; R412-E425 VanDerWaalsContact CZ-OE1 3.23Å; R412-E425 IonicContact NE-OE1 3.45Å; R412-E425 PolarHBondContact NE-OE1 2.85Å; R412-E425 IonicContact NH2-OE1 2.64Å; R412-E425 PolarHBondContact NH2-OE1 2.91Å; R412-E425 IonicContact NH2-OE2 3.9Å; R412-F437 HydrophobicContact CG-CB 4.11Å; R412-F437 HydrophobicContact CG-CG 4.38Å; R412-F439 HydrophobicContact CG-CE1 4.25Å; R412-F439 HydrophobicContact CG-CE2 4.49Å; R412-F439 HydrophobicContact CG-CZ 3.79Å
413A90Very high87.2Confident8 Ų862 Ų627%0.06633%0.329CS..EExtended strand (participates in β ladder)trans-70.9128.3168.300000110T357 E424T357-A413 HydrophobicContact CG2-CB 3.68Å; A413-E424 WeakPolarHBondContact CB-OE1 3.42Å; A413-E424 PolarHBondContact N-OE1 2.91Å; A413-E424 PolarHBondContact N-OE2 2.97Å
414V90.8Very high87.1Confident0 Ų062.6 Ų62.60%033%0.332CS..EExtended strand (participates in β ladder)trans-129.4146.6-176.4-65.50000111.6I350 A358 A359 L361 R412 L454 L474I350-V414 HydrophobicContact CB-CB 4.34Å; I350-V414 HydrophobicContact CB-CG1 3.99Å; I350-V414 HydrophobicContact CD1-CG1 3.77Å; I350-V414 HydrophobicContact CG1-CG1 4.47Å; I350-V414 HydrophobicContact CG2-CB 3.81Å; I350-V414 HydrophobicContact CG2-CG1 3.98Å; I350-V414 HydrophobicContact CG2-CG2 4.36Å; A358-V414 PolarHBondContact N-O 2.8Å; A359-V414 HydrophobicContact CB-CG2 3.96Å; A359-V414 PolarHBondContact N-O 2.81Å; A359-V414 VanDerWaalsContact N-O 3.11Å; A359-V414 VanDerWaalsContact O-CG2 3.3Å; A359-V414 WeakPolarHBondContact O-CG2 3.3Å; A359-V414 PolarHBondContact O-N 2.8Å; L361-V414 HydrophobicContact CB-CG1 4.13Å; R412-V414 HydrophobicContact CB-CG1 4.49Å; V414-L454 HydrophobicContact CG2-CD2 4.08Å; V414-L474 HydrophobicContact CB-CD1 4.45Å; V414-L474 HydrophobicContact CG2-CD1 3.77Å
415P91.7Very high87.2Confident12 Ų1260.1 Ų60.18%0.07831%0.314CS..SBendcis-75.3149.8832.4-33.3000113.1I350 S354 V356 L474I350-P415 WeakPolarHBondContact O-CA 3.1Å; S354-P415 VanDerWaalsContact O-CG 3.31Å; S354-P415 WeakPolarHBondContact O-CG 3.4Å; V356-P415 VanDerWaalsContact O-CD 3.3Å; V356-P415 WeakPolarHBondContact O-CD 3.47Å; P415-L474 HydrophobicContact CB-CD2 3.77Å; P415-L474 HydrophobicContact CG-CD2 4.02Å
416C90.1Very high87Confident4 Ų458.5 Ų58.53%0.02731%0.305CS..PPolyproline II helixtrans-83.1144.7172.1-51.20000109.7I350 C422 Q436I350-C416 PolarHBondContact O-N 2.77Å; C416-C422 HydrophobicContact CB-CB 3.95Å; C416-C422 WeakPolarHBondContact CB-SG 3.32Å; C416-C422 WeakPolarHBondContact SG-CB 3.35Å; C416-C422 CovalentContact SG-SG 2.01Å; C416-C422 PolarHBondContact SG-SG 2.92Å; C416-Q436 HydrophobicContact CB-CB 4.03Å; C416-Q436 HydrophobicContact CB-CG 4.39Å; C416-Q436 PolarHBondContact O-NE2 2.9Å; C416-Q436 VanDerWaalsContact O-NE2 3.17Å
417P87.2Confident86.8Confident69 Ų6959.4 Ų59.445%0.44831%0.311SS..PPolyproline II helixtrans-61.3142.9-175-14.726.6000112S419 D420 L421 Q436P417-S419 PolarHBondContact O-N 3.28Å; P417-D420 HydrophobicContact CB-CB 3.94Å; P417-D420 HydrophobicContact CG-CB 4.38Å; P417-D420 PolarHBondContact O-N 3.24Å; P417-D420 VanDerWaalsContact O-N 3.07Å; P417-D420 VanDerWaalsContact O-O 3.13Å; P417-L421 WeakPolarHBondContact CD-O 3.09Å; P417-Q436 PolarHBondContact O-NE2 2.8Å
418F84.2Confident86.9Confident128 Ų12852.5 Ų52.556%0.56130%0.296SS*.THydrogen-bonded Turntrans-57.5127-178.8-77.2-75.2000111.9T351 S352 D420T351-F418 HydrophobicContact CG2-CD1 3.96Å; T351-F418 HydrophobicContact CG2-CE1 3.99Å; S352-F418 WeakPolarHBondContact O-CE2 3.11Å; S352-F418 VanDerWaalsContact O-CZ 3.3Å; S352-F418 WeakPolarHBondContact O-CZ 3.27Å; F418-D420 PolarHBondContact O-N 3.12Å
419S81.4Confident87Confident134 Ų13455.2 Ų55.294%0.93731%0.313SS*.THydrogen-bonded Turntrans6120.9-179.1-42.90000114.6P417P417-S419 PolarHBondContact O-N 3.28Å
420D87.4Confident86.9Confident102 Ų10256.6 Ų56.655%0.54532%0.32SS..SBendtrans-130.3161.8175.1-150.3-10.8000110.1P417 F418 Q436P417-D420 HydrophobicContact CB-CB 3.94Å; P417-D420 HydrophobicContact CG-CB 4.38Å; P417-D420 PolarHBondContact O-N 3.24Å; P417-D420 VanDerWaalsContact O-N 3.07Å; P417-D420 VanDerWaalsContact O-O 3.13Å; F418-D420 PolarHBondContact O-N 3.12Å; D420-Q436 WeakPolarHBondContact O-CG 3.08Å; D420-Q436 PolarHBondContact O-NE2 2.9Å
421L90.1Very high87Confident33 Ų3356.5 Ų56.517%0.17332%0.32CS..  trans-70.8157.6177.7-58.8-179.3000111.5P417 E425 P428 V431 Q436P417-L421 WeakPolarHBondContact CD-O 3.09Å; L421-E425 HydrophobicContact CB-CB 3.93Å; L421-E425 HydrophobicContact CD1-CB 4.18Å; L421-P428 HydrophobicContact CD1-CB 4.11Å; L421-P428 HydrophobicContact CD1-CG 3.86Å; L421-V431 HydrophobicContact CD1-CG2 4.43Å; L421-V431 HydrophobicContact CD2-CB 4.17Å; L421-V431 HydrophobicContact CD2-CG1 4.04Å; L421-V431 HydrophobicContact CD2-CG2 4.08Å; L421-Q436 WeakPolarHBondContact CA-O 3.44Å
422C89.4Confident87.1Confident2 Ų256.9 Ų56.91%0.01432%0.323CS..  trans-62.4151.5169-57.80000110.2R412 C416 E424 E425 Q436 F437R412-C422 HydrophobicContact CB-CB 4.5Å; C416-C422 HydrophobicContact CB-CB 3.95Å; C416-C422 WeakPolarHBondContact CB-SG 3.32Å; C416-C422 WeakPolarHBondContact SG-CB 3.35Å; C416-C422 CovalentContact SG-SG 2.01Å; C416-C422 PolarHBondContact SG-SG 2.92Å; C422-E424 PolarHBondContact O-N 3.34Å; C422-E425 HydrophobicContact CB-CG 4.29Å; C422-E425 WeakPolarHBondContact O-CB 3.45Å; C422-E425 PolarHBondContact O-N 3.08Å; C422-Q436 PolarHBondContact N-O 2.96Å; C422-Q436 PolarHBondContact SG-O 2.92Å; C422-F437 HydrophobicContact CB-CB 4.37Å
423S84.9Confident86.9Confident84 Ų8461.7 Ų61.759%0.58736%0.355SS*.THydrogen-bonded Turntrans-57.4-23.4-171.935.40000115.2
424E83.4Confident86.8Confident56 Ų5664.9 Ų64.926%0.26239%0.388SS..THydrogen-bonded Turntrans-88.9-8.9179.6-58.876.8-170.800113.6A413 C422A413-E424 WeakPolarHBondContact CB-OE1 3.42Å; A413-E424 PolarHBondContact N-OE1 2.91Å; A413-E424 PolarHBondContact N-OE2 2.97Å; C422-E424 PolarHBondContact O-N 3.34Å
425E86.7Confident86.9Confident23 Ų2365.7 Ų65.711%0.10739%0.394CS..  trans-9598.3179.5-61.2-72.9-178.600109.7R412 L421 C422 V431 F437 S438R412-E425 IonicContact CZ-OE1 3.53Å; R412-E425 VanDerWaalsContact CZ-OE1 3.23Å; R412-E425 IonicContact NE-OE1 3.45Å; R412-E425 PolarHBondContact NE-OE1 2.85Å; R412-E425 IonicContact NH2-OE1 2.64Å; R412-E425 PolarHBondContact NH2-OE1 2.91Å; R412-E425 IonicContact NH2-OE2 3.9Å; L421-E425 HydrophobicContact CB-CB 3.93Å; L421-E425 HydrophobicContact CD1-CB 4.18Å; C422-E425 HydrophobicContact CB-CG 4.29Å; C422-E425 WeakPolarHBondContact O-CB 3.45Å; C422-E425 PolarHBondContact O-N 3.08Å; E425-V431 HydrophobicContact CB-CG2 4.04Å; E425-V431 HydrophobicContact CG-CG2 3.97Å; E425-V431 WeakPolarHBondContact OE2-CG2 3.31Å; E425-F437 HydrophobicContact CG-CB 4.2Å; E425-S438 PolarHBondContact OE1-N 2.98Å; E425-S438 VanDerWaalsContact OE1-N 3.1Å
426D82.4Confident86.9Confident117 Ų11765.5 Ų65.563%0.62639%0.392SS*.  trans-83.6-21.4-176.2-74.7-26.7000113.3K400K400-D426 IonicContact NZ-OD1 2.7Å; K400-D426 PolarHBondContact NZ-OD1 3.42Å; K400-D426 IonicContact NZ-OD2 3.19Å; K400-D426 PolarHBondContact NZ-OD2 3.03Å
427D82.9Confident87.1Confident63 Ų6365.3 Ų65.334%0.33739%0.391SS..  trans-129.5113.6-174.7-177-1.6000111.5L429 N430D427-L429 PolarHBondContact O-N 3.11Å; D427-L429 VanDerWaalsContact O-N 3.09Å; D427-L429 WeakPolarHBondContact OD1-CB 3.34Å; D427-L429 WeakPolarHBondContact OD1-CG 3.38Å; D427-L429 PolarHBondContact OD1-N 2.89Å; D427-N430 PolarHBondContact O-N 3.18Å
428P85.8Confident87.3Confident89 Ų8962 Ų6258%0.57837%0.37SS*.G310 helixtrans-56.1-24.3176.6-21.829.8000114.7L421 N430 V431L421-P428 HydrophobicContact CD1-CB 4.11Å; L421-P428 HydrophobicContact CD1-CG 3.86Å; P428-N430 PolarHBondContact O-N 2.83Å; P428-V431 PolarHBondContact O-N 2.75Å
429L86.2Confident87.7Confident153 Ų15356 Ų5680%0.80134%0.343SS*.G310 helixtrans-69.8-22178.6-63.3173.4000112.8D427 V431D427-L429 PolarHBondContact O-N 3.11Å; D427-L429 VanDerWaalsContact O-N 3.09Å; D427-L429 WeakPolarHBondContact OD1-CB 3.34Å; D427-L429 WeakPolarHBondContact OD1-CG 3.38Å; D427-L429 PolarHBondContact OD1-N 2.89Å; L429-V431 VanDerWaalsContact C-N 3.31Å
430N84.2Confident88.2Confident91 Ų9152.8 Ų52.849%0.48731%0.313SS..G310 helixtrans-84.6-9176.4-67.1-39.3000112.8D427 P428 H440D427-N430 PolarHBondContact O-N 3.18Å; P428-N430 PolarHBondContact O-N 2.83Å; N430-H440 PolarHBondContact O-CE1 2.9Å; N430-H440 PolarHBondContact O-NE2 2.95Å
431V89.6Confident88.3Confident10 Ų1048.1 Ų48.16%0.06129%0.288CS..SBendtrans-104.7134.2-177.7-178.10000109.6L421 E425 P428 L429 S435L421-V431 HydrophobicContact CD1-CG2 4.43Å; L421-V431 HydrophobicContact CD2-CB 4.17Å; L421-V431 HydrophobicContact CD2-CG1 4.04Å; L421-V431 HydrophobicContact CD2-CG2 4.08Å; E425-V431 HydrophobicContact CB-CG2 4.04Å; E425-V431 HydrophobicContact CG-CG2 3.97Å; E425-V431 WeakPolarHBondContact OE2-CG2 3.31Å; P428-V431 PolarHBondContact O-N 2.75Å; L429-V431 VanDerWaalsContact C-N 3.31Å; V431-S435 VanDerWaalsContact CG1-O 3.32Å; V431-S435 WeakPolarHBondContact CG1-O 3.42Å
432V89.5Confident88.2Confident11 Ų1151.5 Ų51.57%0.06730%0.303CS..  trans-56.8127.5175.7175.10000109.1Y345 Y347 G434 S435 S438 P485Y345-V432 HydrophobicContact CD1-CG2 4.24Å; Y347-V432 HydrophobicContact CD1-CG2 4Å; Y347-V432 HydrophobicContact CD2-CB 4.03Å; Y347-V432 HydrophobicContact CD2-CG1 3.89Å; Y347-V432 HydrophobicContact CD2-CG2 4.41Å; Y347-V432 HydrophobicContact CE2-CG1 4.01Å; Y347-V432 HydrophobicContact CG-CB 3.95Å; Y347-V432 HydrophobicContact CG-CG1 4.2Å; Y347-V432 HydrophobicContact CG-CG2 3.87Å; V432-G434 PolarHBondContact O-N 3.33Å; V432-S435 VanDerWaalsContact O-CB 3.22Å; V432-S435 WeakPolarHBondContact O-CB 3.38Å; V432-S435 PolarHBondContact O-N 2.8Å; V432-S435 PolarHBondContact O-OG 2.61Å; V432-S438 PolarHBondContact N-OG 2.99Å; V432-P485 HydrophobicContact CG1-CB 4.11Å; V432-P485 HydrophobicContact CG1-CG 3.88Å; V432-P485 HydrophobicContact CG2-CG 3.94Å
433P87.9Confident88Confident106 Ų10652 Ų5269%0.68831%0.306SS*.THydrogen-bonded Turntrans-50.8130.6-176-29.334.9000113.2
434G87.3Confident88Confident75 Ų7551.3 Ų51.377%0.77330%0.298SS*.THydrogen-bonded Turntrans86.43.4-177.900000115.4N349 V432N349-G434 PolarHBondContact ND2-O 3.14Å; V432-G434 PolarHBondContact O-N 3.33Å
435S91.7Very high88Confident17 Ų1753.8 Ų53.812%0.11932%0.317CS..  trans-108.6158.3177.3-50.40000112Y347 N349 V431 V432Y347-S435 VanDerWaalsContact CD2-OG 3.32Å; Y347-S435 WeakPolarHBondContact CD2-OG 3.22Å; N349-S435 VanDerWaalsContact OD1-CA 3.28Å; N349-S435 WeakPolarHBondContact OD1-CA 3.1Å; V431-S435 VanDerWaalsContact CG1-O 3.32Å; V431-S435 WeakPolarHBondContact CG1-O 3.42Å; V432-S435 VanDerWaalsContact O-CB 3.22Å; V432-S435 WeakPolarHBondContact O-CB 3.38Å; V432-S435 PolarHBondContact O-N 2.8Å; V432-S435 PolarHBondContact O-OG 2.61Å
436Q92.5Very high87.9Confident9 Ų953.8 Ų53.84%0.04232%0.323CS..SBendtrans-89.7-23.1175.4-64.7178.1-65.800113.1G348 N349 C416 P417 D420 L421 C422G348-Q436 PolarHBondContact O-N 3.34Å; N349-Q436 HydrophobicContact CB-CG 4.35Å; N349-Q436 WeakPolarHBondContact OD1-CG 3.48Å; N349-Q436 PolarHBondContact OD1-N 2.89Å; C416-Q436 HydrophobicContact CB-CB 4.03Å; C416-Q436 HydrophobicContact CB-CG 4.39Å; C416-Q436 PolarHBondContact O-NE2 2.9Å; C416-Q436 VanDerWaalsContact O-NE2 3.17Å; P417-Q436 PolarHBondContact O-NE2 2.8Å; D420-Q436 WeakPolarHBondContact O-CG 3.08Å; D420-Q436 PolarHBondContact O-NE2 2.9Å; L421-Q436 WeakPolarHBondContact CA-O 3.44Å; C422-Q436 PolarHBondContact N-O 2.96Å; C422-Q436 PolarHBondContact SG-O 2.92Å
437F93.8Very high88.1Confident0 Ų049.2 Ų49.20%030%0.302CS..EExtended strand (participates in β ladder)trans-148.2162.9176.667.3-81.8000111.6I346 Y347 G348 I350 L361 R412 C422 E425 F439 I478I346-F437 HydrophobicContact CG2-CE2 4.26Å; Y347-F437 WeakPolarHBondContact CA-O 3.3Å; Y347-F437 WeakPolarHBondContact CB-O 3.39Å; G348-F437 PolarHBondContact N-O 3.29Å; G348-F437 WeakPolarHBondContact O-CD1 3.47Å; G348-F437 VanDerWaalsContact O-CE1 3.26Å; G348-F437 WeakPolarHBondContact O-CE1 3.46Å; G348-F437 PolarHBondContact O-N 3.07Å; I350-F437 HydrophobicContact CD1-CE1 3.97Å; I350-F437 HydrophobicContact CD1-CZ 4.22Å; I350-F437 HydrophobicContact CG1-CE1 3.96Å; L361-F437 HydrophobicContact CD2-CD2 4.18Å; L361-F437 HydrophobicContact CD2-CE1 4.15Å; L361-F437 HydrophobicContact CD2-CE2 3.48Å; L361-F437 VanDerWaalsContact CD2-CE2 3.48Å; L361-F437 HydrophobicContact CD2-CZ 3.46Å; L361-F437 VanDerWaalsContact CD2-CZ 3.46Å; R412-F437 HydrophobicContact CG-CB 4.11Å; R412-F437 HydrophobicContact CG-CG 4.38Å; C422-F437 HydrophobicContact CB-CB 4.37Å; E425-F437 HydrophobicContact CG-CB 4.2Å; F437-F439 HydrophobicContact CD2-CD2 4.07Å; F437-F439 HydrophobicContact CD2-CE2 4.01Å; F437-F439 HydrophobicContact CE2-CD2 4.03Å; F437-F439 AromaticContact CE2-CE2 3.96Å; F437-F439 HydrophobicContact CE2-CE2 3.96Å; F437-I478 HydrophobicContact CE2-CG2 4.38Å; F437-I478 HydrophobicContact CZ-CD1 4.21Å; F437-I478 HydrophobicContact CZ-CG1 4.05Å; F437-I478 HydrophobicContact CZ-CG2 3.88Å
438S92.7Very high88.2Confident0 Ų049.6 Ų49.60%030%0.298CS..EExtended strand (participates in β ladder)trans-151118.3170.6-66.10000111.7I346 Y347 E425 V432 H440I346-S438 CarbonylContact O-C 3.45Å; I346-S438 VanDerWaalsContact O-CA 3.29Å; I346-S438 WeakPolarHBondContact O-CA 3.35Å; Y347-S438 VanDerWaalsContact CB-OG 3.28Å; Y347-S438 WeakPolarHBondContact CB-OG 3.27Å; E425-S438 PolarHBondContact OE1-N 2.98Å; E425-S438 VanDerWaalsContact OE1-N 3.1Å; V432-S438 PolarHBondContact N-OG 2.99Å; S438-H440 PolarHBondContact O-CD2 3.31Å
439F92.8Very high88.2Confident2 Ų245.9 Ų45.91%0.00927%0.273CS..EExtended strand (participates in β ladder)trans-87.3135.2164.9-59.5-70.2000110.4Y345 I346 L361 L363 R412 F437 L452Y345-F439 WeakPolarHBondContact CA-O 3.04Å; I346-F439 HydrophobicContact CB-CB 4.18Å; I346-F439 HydrophobicContact CB-CD2 4.14Å; I346-F439 HydrophobicContact CG2-CD2 4.14Å; I346-F439 PolarHBondContact N-O 3.08Å; I346-F439 PolarHBondContact O-N 3.03Å; L361-F439 HydrophobicContact CD2-CE2 3.71Å; L361-F439 HydrophobicContact CD2-CZ 4.37Å; L361-F439 HydrophobicContact CG-CE2 4.31Å; L363-F439 HydrophobicContact CB-CD2 4.3Å; L363-F439 HydrophobicContact CB-CE2 4.22Å; L363-F439 HydrophobicContact CB-CG 4.47Å; L363-F439 HydrophobicContact CB-CZ 4.34Å; L363-F439 HydrophobicContact CD2-CB 3.58Å; L363-F439 HydrophobicContact CD2-CD1 4.15Å; L363-F439 HydrophobicContact CD2-CD2 4.03Å; L363-F439 HydrophobicContact CD2-CG 3.68Å; R412-F439 HydrophobicContact CG-CE1 4.25Å; R412-F439 HydrophobicContact CG-CE2 4.49Å; R412-F439 HydrophobicContact CG-CZ 3.79Å; F437-F439 HydrophobicContact CD2-CD2 4.07Å; F437-F439 HydrophobicContact CD2-CE2 4.01Å; F437-F439 HydrophobicContact CE2-CD2 4.03Å; F437-F439 AromaticContact CE2-CE2 3.96Å; F437-F439 HydrophobicContact CE2-CE2 3.96Å; F439-L452 HydrophobicContact CE2-CD1 4.35Å
440H91.4Very high88.3Confident66 Ų6639.7 Ų39.731%0.30624%0.239SC..EExtended strand (participates in β ladder)trans-108.5113.1176.9-57.1-93.5000109.2R343 Y345 N430 S438R343-H440 VanDerWaalsContact CZ-ND1 3.3Å; R343-H440 PolarHBondContact NE-ND1 3.06Å; R343-H440 PolarHBondContact NH2-CE1 2.77Å; R343-H440 VanDerWaalsContact NH2-CE1 3.35Å; R343-H440 PolarHBondContact NH2-ND1 3.23Å; Y345-H440 AromaticContact CD1-CE1 3.87Å; Y345-H440 AromaticContact CD1-ND1 3.54Å; Y345-H440 AromaticContact CE1-CE1 3.53Å; Y345-H440 AromaticContact CE1-ND1 3.16Å; Y345-H440 WeakPolarHBondContact CE1-ND1 3.39Å; Y345-H440 AromaticContact CZ-ND1 3.98Å; N430-H440 PolarHBondContact O-CE1 2.9Å; N430-H440 PolarHBondContact O-NE2 2.95Å; S438-H440 PolarHBondContact O-CD2 3.31Å
441I89.7Confident88.4Confident4 Ų435.7 Ų35.72%0.02122%0.217CC..EExtended strand (participates in β ladder)trans-97.7106.5-175.6-65.1167.2000109.2F331 R343 G344 I346 L363 W450F331-I441 HydrophobicContact CB-CG2 4.01Å; F331-I441 HydrophobicContact CD1-CD1 4.2Å; F331-I441 HydrophobicContact CD2-CB 4.46Å; F331-I441 HydrophobicContact CD2-CD1 3.37Å; F331-I441 HydrophobicContact CD2-CG1 4.49Å; F331-I441 HydrophobicContact CD2-CG2 4.07Å; F331-I441 HydrophobicContact CE1-CD1 3.91Å; F331-I441 HydrophobicContact CE2-CD1 3.05Å; F331-I441 HydrophobicContact CE2-CG1 4.46Å; F331-I441 HydrophobicContact CG-CB 4.32Å; F331-I441 HydrophobicContact CG-CD1 3.94Å; F331-I441 HydrophobicContact CG-CG2 3.99Å; F331-I441 HydrophobicContact CZ-CD1 3.35Å; R343-I441 WeakPolarHBondContact CB-O 3.44Å; G344-I441 PolarHBondContact N-O 3.14Å; G344-I441 PolarHBondContact O-N 3.13Å; I346-I441 HydrophobicContact CD1-CD1 3.66Å; I346-I441 HydrophobicContact CG1-CD1 3.9Å; L363-I441 HydrophobicContact CD1-CD1 4.36Å; L363-I441 HydrophobicContact CD2-CD1 3.93Å; L363-I441 HydrophobicContact CD2-CG1 3.94Å; I441-W450 HydrophobicContact CD1-CB 4.45Å; I441-W450 HydrophobicContact CD1-CD2 4.23Å; I441-W450 HydrophobicContact CD1-CG 4.21Å; I441-W450 HydrophobicContact CG1-CD2 4.45Å; I441-W450 HydrophobicContact CG2-CD2 4.07Å; I441-W450 VanDerWaalsContact CG2-CE2 3.47Å; I441-W450 HydrophobicContact CG2-CG 4.37Å; I441-W450 HydrophobicContact CG2-CZ2 3.75Å
442Q87.8Confident88.3Confident103 Ų10335.2 Ų35.248%0.48122%0.215SC..  trans-113.7103.4-179.5179.9171.3-7.700110.3T334T334-Q442 HydrophobicContact CG2-CG 4.19Å
443D84.7Confident88.2Confident13 Ų1334.8 Ų34.87%0.0721%0.212CC..  trans-127.7106.9173.9-178.512.8000111.5T334 T445 R448T334-D443 PolarHBondContact N-O 3.38Å; T334-D443 PolarHBondContact OG1-N 3.32Å; D443-T445 VanDerWaalsContact C-N 3.35Å; D443-T445 WeakPolarHBondContact OD1-CB 3.4Å; D443-T445 PolarHBondContact OD1-N 3.19Å; D443-T445 PolarHBondContact OD1-OG1 3.32Å; D443-T445 PolarHBondContact OD2-OG1 3.44Å; D443-R448 IonicContact OD1-CZ 2.78Å; D443-R448 IonicContact OD1-NH2 3.23Å; D443-R448 PolarHBondContact OD1-NH2 2.8Å; D443-R448 IonicContact OD2-CZ 2.78Å; D443-R448 IonicContact OD2-NE 2.88Å; D443-R448 PolarHBondContact OD2-NE 2.89Å; D443-R448 IonicContact OD2-NH2 3.18Å; D443-R448 PolarHBondContact OD2-NH2 3.47Å
444T85.3Confident88.3Confident69 Ų6929.8 Ų29.842%0.42318%0.179SC..SBendtrans-86.9-3179.960.60000113.4K333 P336K333-T444 WeakPolarHBondContact CE-O 3.5Å; P336-T444 HydrophobicContact CG-CG2 4.11Å
445T83.1Confident88.4Confident108 Ų10826.3 Ų26.366%0.66314%0.143SC*.SBendtrans-86.2-41-177.263.60000112.4D443 R448D443-T445 VanDerWaalsContact C-N 3.35Å; D443-T445 WeakPolarHBondContact OD1-CB 3.4Å; D443-T445 PolarHBondContact OD1-N 3.19Å; D443-T445 PolarHBondContact OD1-OG1 3.32Å; D443-T445 PolarHBondContact OD2-OG1 3.44Å; T445-R448 PolarHBondContact OG1-NH2 2.78Å; T445-R448 VanDerWaalsContact OG1-NH2 3.14Å
446G85.4Confident88.3Confident23 Ų2325.5 Ų25.524%0.23714%0.137CC..  trans178.7-178.5179.900000111.9
447A87Confident88.1Confident21 Ų2125 Ų2517%0.17414%0.135CC..  trans-76.3140.216900000109.8F331 F499 L704F331-A447 WeakPolarHBondContact O-CA 3.47Å; F331-A447 WeakPolarHBondContact O-CB 3.33Å; A447-F499 HydrophobicContact CB-CB 4.27Å; A447-F499 HydrophobicContact CB-CD1 3.54Å; A447-F499 HydrophobicContact CB-CD2 3.84Å; A447-F499 HydrophobicContact CB-CE1 3.74Å; A447-F499 HydrophobicContact CB-CE2 4.02Å; A447-F499 HydrophobicContact CB-CG 3.59Å; A447-F499 HydrophobicContact CB-CZ 3.97Å; A447-L704 HydrophobicContact CB-CD1 4.3Å; A447-L704 WeakPolarHBondContact O-CD1 3.37Å
448R84.7Confident87.9Confident71 Ų7126.4 Ų26.427%0.26814%0.142SC..EExtended strand (participates in β ladder)trans-147.6156.2175.274.2175.580171.28.8111.2A330 F331 D365 D443 T445 W450A330-R448 WeakPolarHBondContact CA-O 3.4Å; F331-R448 PolarHBondContact N-O 3.36Å; F331-R448 VanDerWaalsContact N-O 3.11Å; F331-R448 PolarHBondContact O-N 3.42Å; D365-R448 IonicContact OD2-NH1 3.91Å; D365-R448 PolarHBondContact OD2-NH1 3.05Å; D443-R448 IonicContact OD1-CZ 2.78Å; D443-R448 IonicContact OD1-NH2 3.23Å; D443-R448 PolarHBondContact OD1-NH2 2.8Å; D443-R448 IonicContact OD2-CZ 2.78Å; D443-R448 IonicContact OD2-NE 2.88Å; D443-R448 PolarHBondContact OD2-NE 2.89Å; D443-R448 IonicContact OD2-NH2 3.18Å; D443-R448 PolarHBondContact OD2-NH2 3.47Å; T445-R448 PolarHBondContact OG1-NH2 2.78Å; T445-R448 VanDerWaalsContact OG1-NH2 3.14Å; R448-W450 VanDerWaalsContact CG-NE1 3.34Å
449F84.6Confident87.7Confident11 Ų1127.3 Ų27.35%0.04815%0.147CC..EExtended strand (participates in β ladder)trans-74.6135.3170.9-75.7-79.4000110.8A330 Y366 Y451 E500 L703 L704A330-F449 HydrophobicContact CB-CD1 3.72Å; A330-F449 HydrophobicContact CB-CD2 4.47Å; A330-F449 HydrophobicContact CB-CE1 3.66Å; A330-F449 HydrophobicContact CB-CE2 4.42Å; A330-F449 HydrophobicContact CB-CG 4.14Å; A330-F449 HydrophobicContact CB-CZ 4.02Å; Y366-F449 PolarHBondContact N-O 3.39Å; F449-Y451 HydrophobicContact CB-CE2 3.84Å; F449-E500 HydrophobicContact CZ-CB 4.34Å; F449-E500 HydrophobicContact CZ-CG 4.11Å; F449-L703 HydrophobicContact CE2-CB 4.07Å; F449-L704 HydrophobicContact CD2-CD2 3.76Å; F449-L704 HydrophobicContact CD2-CG 4.36Å; F449-L704 HydrophobicContact CE2-CD2 3.46Å; F449-L704 VanDerWaalsContact CE2-CD2 3.46Å; F449-L704 HydrophobicContact CE2-CG 4Å; F449-L704 HydrophobicContact CZ-CD2 4.01Å
450W88.5Confident87.4Confident24 Ų2429.4 Ų29.49%0.09116%0.158CC..EExtended strand (participates in β ladder)trans-116.4147.7167.9-70.274.4000109A328 F329 F331 L363 V364 D365 F410 I441 R448A328-W450 WeakPolarHBondContact CA-O 3.27Å; F329-W450 PolarHBondContact N-O 3.33Å; F329-W450 PolarHBondContact O-N 3.33Å; F331-W450 HydrophobicContact CD2-CB 3.85Å; F331-W450 AromaticContact CD2-CD1 3.56Å; F331-W450 AromaticContact CD2-CG 3.82Å; F331-W450 HydrophobicContact CD2-CG 3.82Å; F331-W450 HydrophobicContact CE2-CB 3.85Å; F331-W450 HydrophobicContact CE2-CG 4.24Å; L363-W450 HydrophobicContact CD1-CB 4.1Å; L363-W450 HydrophobicContact CD1-CE3 3.85Å; L363-W450 HydrophobicContact CD2-CE3 4.18Å; L363-W450 HydrophobicContact CD2-CZ3 4.36Å; L363-W450 HydrophobicContact CG-CE3 3.76Å; L363-W450 HydrophobicContact CG-CZ3 4.15Å; V364-W450 CarbonylContact O-C 3.3Å; V364-W450 WeakPolarHBondContact O-CA 3.37Å; D365-W450 HydrophobicContact CB-CD2 4Å; D365-W450 HydrophobicContact CB-CE3 4.08Å; D365-W450 HydrophobicContact CB-CH2 4.24Å; D365-W450 HydrophobicContact CB-CZ2 4.14Å; D365-W450 HydrophobicContact CB-CZ3 4.2Å; F410-W450 HydrophobicContact CE1-CZ3 4.27Å; I441-W450 HydrophobicContact CD1-CB 4.45Å; I441-W450 HydrophobicContact CD1-CD2 4.23Å; I441-W450 HydrophobicContact CD1-CG 4.21Å; I441-W450 HydrophobicContact CG1-CD2 4.45Å; I441-W450 HydrophobicContact CG2-CD2 4.07Å; I441-W450 VanDerWaalsContact CG2-CE2 3.47Å; I441-W450 HydrophobicContact CG2-CG 4.37Å; I441-W450 HydrophobicContact CG2-CZ2 3.75Å; R448-W450 VanDerWaalsContact CG-NE1 3.34Å
451Y85.8Confident87.1Confident7 Ų733.8 Ų33.83%0.02718%0.179CC..EExtended strand (participates in β ladder)trans-121.1125.4-174.2-64.5-99.7000108.7V325 A327 A328 V364 Y366 F369 F449V325-Y451 HydrophobicContact CG1-CD1 4.21Å; A327-Y451 WeakPolarHBondContact O-CA 3.47Å; A328-Y451 HydrophobicContact CB-CD1 3.75Å; A328-Y451 HydrophobicContact CB-CE1 3.59Å; V364-Y451 PolarHBondContact N-O 3.05Å; V364-Y451 PolarHBondContact O-N 3.08Å; Y366-Y451 AromaticContact CD2-CE2 3.74Å; Y366-Y451 HydrophobicContact CD2-CE2 3.74Å; Y366-Y451 AromaticContact CD2-CZ 3.96Å; Y366-Y451 WeakPolarHBondContact CD2-OH 3.36Å; Y366-Y451 HydrophobicContact CG-CE2 4.38Å; F369-Y451 HydrophobicContact CB-CD2 3.56Å; F369-Y451 HydrophobicContact CB-CE2 4.13Å; F369-Y451 HydrophobicContact CB-CG 3.85Å; F369-Y451 AromaticContact CD1-CD1 3.75Å; F369-Y451 HydrophobicContact CD1-CD1 3.75Å; F369-Y451 AromaticContact CD1-CD2 3.92Å; F369-Y451 HydrophobicContact CD1-CD2 3.92Å; F369-Y451 AromaticContact CD1-CE1 3.7Å; F369-Y451 HydrophobicContact CD1-CE1 3.7Å; F369-Y451 AromaticContact CD1-CE2 3.91Å; F369-Y451 HydrophobicContact CD1-CE2 3.91Å; F369-Y451 AromaticContact CD1-CG 3.86Å; F369-Y451 HydrophobicContact CD1-CG 3.86Å; F369-Y451 AromaticContact CD1-CZ 3.79Å; F369-Y451 AromaticContact CD2-CD1 3.87Å; F369-Y451 HydrophobicContact CD2-CD1 3.87Å; F369-Y451 HydrophobicContact CD2-CD2 4.28Å; F369-Y451 AromaticContact CD2-CG 3.67Å; F369-Y451 HydrophobicContact CD2-CG 3.67Å; F369-Y451 AromaticContact CE1-CD1 3.8Å; F369-Y451 HydrophobicContact CE1-CD1 3.8Å; F369-Y451 AromaticContact CE1-CE1 3.66Å; F369-Y451 HydrophobicContact CE1-CE1 3.66Å; F369-Y451 HydrophobicContact CE1-CG 4.36Å; F369-Y451 AromaticContact CE2-CD1 3.94Å; F369-Y451 HydrophobicContact CE2-CD1 3.94Å; F369-Y451 HydrophobicContact CE2-CG 4.21Å; F369-Y451 AromaticContact CG-CD1 3.79Å; F369-Y451 HydrophobicContact CG-CD1 3.79Å; F369-Y451 AromaticContact CG-CD2 3.64Å; F369-Y451 HydrophobicContact CG-CD2 3.64Å; F369-Y451 HydrophobicContact CG-CE1 4.2Å; F369-Y451 HydrophobicContact CG-CE2 4.11Å; F369-Y451 AromaticContact CG-CG 3.48Å; F369-Y451 HydrophobicContact CG-CG 3.48Å; F369-Y451 VanDerWaalsContact CG-CG 3.48Å; F369-Y451 AromaticContact CZ-CD1 3.9Å; F369-Y451 HydrophobicContact CZ-CD1 3.9Å; F369-Y451 HydrophobicContact CZ-CE1 4.14Å; F449-Y451 HydrophobicContact CB-CE2 3.84Å
452L88.9Confident87Confident0 Ų040.6 Ų40.60%021%0.211CC..EExtended strand (participates in β ladder)trans-100125.2174.7-169.568.8000108.9I310 L326 A327 I346 L361 L363 F439 I478 L480I310-L452 HydrophobicContact CD1-CD2 3.84Å; L326-L452 WeakPolarHBondContact CB-O 3.39Å; L326-L452 HydrophobicContact CD1-CD2 4.39Å; L326-L452 PolarHBondContact N-O 3.13Å; A327-L452 PolarHBondContact N-O 3.45Å; A327-L452 PolarHBondContact O-N 2.72Å; I346-L452 HydrophobicContact CG2-CD1 4.36Å; I346-L452 HydrophobicContact CG2-CD2 4.16Å; L361-L452 HydrophobicContact CD1-CD1 3.7Å; L361-L452 HydrophobicContact CD1-CD2 4.11Å; L361-L452 HydrophobicContact CD1-CG 3.76Å; L361-L452 HydrophobicContact CD2-CD1 4.12Å; L361-L452 HydrophobicContact CG-CD1 3.82Å; L361-L452 HydrophobicContact CG-CG 4.44Å; L363-L452 HydrophobicContact CB-CD1 4.36Å; L363-L452 HydrophobicContact CD1-CD1 4.46Å; F439-L452 HydrophobicContact CE2-CD1 4.35Å; L452-I478 HydrophobicContact CD2-CD1 3.91Å; L452-I478 HydrophobicContact CD2-CG2 3.97Å; L452-L480 HydrophobicContact CB-CD2 4.44Å; L452-L480 HydrophobicContact CD2-CD2 4.43Å
453L87.5Confident87Confident2 Ų237.7 Ų37.71%0.0120%0.201CC..EExtended strand (participates in β ladder)trans-126.8144.5-167.8-48.5173.6000110M323 T324 V325 L361 V362 V364 F369 L372M323-L453 HydrophobicContact CE-CD1 3.49Å; M323-L453 VanDerWaalsContact CE-CD1 3.49Å; M323-L453 HydrophobicContact CE-CD2 3.63Å; M323-L453 HydrophobicContact CE-CG 4.08Å; M323-L453 HydrophobicContact CG-CB 4.39Å; M323-L453 HydrophobicContact SD-CD1 3.9Å; T324-L453 WeakPolarHBondContact O-CA 3.27Å; V325-L453 HydrophobicContact CB-CD2 4.03Å; V325-L453 HydrophobicContact CG1-CD2 3.97Å; V325-L453 HydrophobicContact CG2-CD2 3.73Å; L361-L453 CarbonylContact C-O 3.55Å; L361-L453 WeakPolarHBondContact CA-O 3.12Å; V362-L453 HydrophobicContact CB-CB 4.28Å; V362-L453 PolarHBondContact N-O 2.92Å; V362-L453 WeakPolarHBondContact O-CB 3.43Å; V362-L453 PolarHBondContact O-N 3.22Å; V364-L453 HydrophobicContact CG2-CD1 3.63Å; V364-L453 HydrophobicContact CG2-CG 4.32Å; F369-L453 HydrophobicContact CD2-CD1 4.28Å; F369-L453 HydrophobicContact CD2-CD2 4.01Å; F369-L453 HydrophobicContact CE2-CD2 3.83Å; L372-L453 HydrophobicContact CD1-CD1 3.77Å
454L89.2Confident87.2Confident0 Ų041.9 Ų41.90%022%0.223CC..EExtended strand (participates in β ladder)trans-105.8131.3160.6-77.6172.3000108.9W314 M323 T324 L326 L361 V414 L474W314-L454 HydrophobicContact CB-CD1 3.67Å; W314-L454 HydrophobicContact CD2-CB 4.14Å; W314-L454 HydrophobicContact CD2-CD1 3.64Å; W314-L454 HydrophobicContact CE3-CB 4.31Å; W314-L454 HydrophobicContact CE3-CD1 3.79Å; W314-L454 HydrophobicContact CG-CD1 3.62Å; W314-L454 HydrophobicContact CH2-CB 4.16Å; W314-L454 HydrophobicContact CZ2-CB 4.06Å; W314-L454 HydrophobicContact CZ3-CB 4.29Å; W314-L454 HydrophobicContact CZ3-CD1 4.48Å; M323-L454 CarbonylContact C-O 3.55Å; M323-L454 VanDerWaalsContact CA-O 3.3Å; M323-L454 WeakPolarHBondContact CA-O 3.19Å; T324-L454 PolarHBondContact N-O 3.4Å; T324-L454 PolarHBondContact O-N 2.81Å; L326-L454 HydrophobicContact CD1-CD1 3.76Å; L326-L454 HydrophobicContact CD1-CG 3.65Å; L326-L454 HydrophobicContact CD2-CD1 3.83Å; L326-L454 HydrophobicContact CD2-CG 4.31Å; L326-L454 HydrophobicContact CG-CD1 4.03Å; L326-L454 HydrophobicContact CG-CG 3.97Å; L361-L454 HydrophobicContact CB-CD2 4.33Å; L361-L454 HydrophobicContact CD1-CD2 4.01Å; L361-L454 HydrophobicContact CD1-CG 4.43Å; V414-L454 HydrophobicContact CG2-CD2 4.08Å; L454-L474 HydrophobicContact CD2-CD1 4.44Å
455T89.4Confident87.4Confident2 Ų239.5 Ų39.51%0.01221%0.207CC..EExtended strand (participates in β ladder)trans-121.5140.9174.8-178.90000111.8L322 A359 H360 V362 M390 C457L322-T455 WeakPolarHBondContact O-CA 3.42Å; L322-T455 PolarHBondContact O-OG1 3.07Å; L322-T455 VanDerWaalsContact O-OG1 3.07Å; A359-T455 VanDerWaalsContact CA-O 3.27Å; A359-T455 WeakPolarHBondContact CA-O 3.41Å; A359-T455 WeakPolarHBondContact CB-O 3.44Å; H360-T455 HydrophobicContact CB-CG2 3.8Å; H360-T455 PolarHBondContact N-O 2.87Å; H360-T455 VanDerWaalsContact N-O 3.08Å; H360-T455 PolarHBondContact O-N 3.13Å; V362-T455 HydrophobicContact CG2-CG2 3.68Å; M390-T455 HydrophobicContact CE-CG2 4.36Å; M390-T455 HydrophobicContact SD-CG2 3.98Å; T455-C457 HydrophobicContact CG2-CB 4.26Å; T455-C457 PolarHBondContact O-N 2.97Å; T455-C457 WeakPolarHBondContact OG1-CB 3.42Å; T455-C457 PolarHBondContact OG1-N 3.05Å; T455-C457 VanDerWaalsContact OG1-N 3.13Å; T455-C457 PolarHBondContact OG1-SG 3.41Å; T455-C457 VanDerWaalsContact OG1-SG 3.4Å
456N89Confident87.6Confident0 Ų037.2 Ų37.20%019%0.193CC..SBendtrans-76.17.3170.9-82-44.1000113W314 A316 G317 E321 L322 S468W314-N456 WeakPolarHBondContact CH2-OD1 3.23Å; A316-N456 WeakPolarHBondContact CA-OD1 3.45Å; G317-N456 PolarHBondContact N-OD1 2.79Å; E321-N456 PolarHBondContact O-ND2 3.28Å; L322-N456 PolarHBondContact O-N 2.78Å; N456-S468 WeakPolarHBondContact O-CB 3.43Å; N456-S468 PolarHBondContact O-N 3.26Å
457C89.4Confident87.6Confident0 Ų040 Ų400%020%0.198CC..EExtended strand (participates in β ladder)trans-90.6129.5179.3-60.30000111.2H360 C386 M390 T455 W465 T466H360-C457 PolarHBondContact ND1-O 3.27Å; C386-C457 WeakPolarHBondContact CA-SG 2.91Å; C386-C457 HydrophobicContact CB-CB 3.61Å; C386-C457 WeakPolarHBondContact CB-SG 3.42Å; C386-C457 WeakPolarHBondContact SG-CA 2.98Å; C386-C457 WeakPolarHBondContact SG-CB 3.38Å; C386-C457 CovalentContact SG-SG 2.05Å; C386-C457 PolarHBondContact SG-SG 2.81Å; M390-C457 HydrophobicContact CG-CB 3.74Å; T455-C457 HydrophobicContact CG2-CB 4.26Å; T455-C457 PolarHBondContact O-N 2.97Å; T455-C457 WeakPolarHBondContact OG1-CB 3.42Å; T455-C457 PolarHBondContact OG1-N 3.05Å; T455-C457 VanDerWaalsContact OG1-N 3.13Å; T455-C457 PolarHBondContact OG1-SG 3.41Å; T455-C457 VanDerWaalsContact OG1-SG 3.4Å; C457-W465 HydrophobicContact CB-CE3 3.97Å; C457-T466 WeakPolarHBondContact CA-O 3.43Å
458L89.1Confident87.4Confident28 Ų2839.3 Ų39.315%0.14719%0.192CC..EExtended strand (participates in β ladder)trans-121.6138.5-177.4-65.2179.1000110.8T357 W465 T466T357-L458 HydrophobicContact CG2-CD2 3.85Å; T357-L458 WeakPolarHBondContact O-CD1 3.45Å; L458-W465 CarbonylContact O-C 3.25Å; L458-W465 WeakPolarHBondContact O-CA 3.48Å; L458-T466 PolarHBondContact N-O 3.38Å; L458-T466 PolarHBondContact O-N 2.87Å; L458-T466 PolarHBondContact O-OG1 3.1Å
459L88.4Confident87.1Confident19 Ų1942.2 Ų42.210%0.09922%0.218CC..EExtended strand (participates in β ladder)trans-84.2112.2174.4-16466.4000109.6E399 R401 C402 F403 C463 W465E399-L459 HydrophobicContact CG-CD2 4.17Å; R401-L459 PolarHBondContact NH2-O 3.15Å; C402-L459 HydrophobicContact CB-CD2 3.71Å; C402-L459 WeakPolarHBondContact SG-CD2 3.21Å; F403-L459 HydrophobicContact CE2-CD1 4.26Å; F403-L459 HydrophobicContact CE2-CD2 4.05Å; F403-L459 HydrophobicContact CZ-CD1 4.44Å; L459-C463 VanDerWaalsContact CD1-C 3.5Å; L459-C463 WeakPolarHBondContact CD1-O 3.31Å; L459-W465 HydrophobicContact CB-CE3 4.32Å; L459-W465 HydrophobicContact CB-CH2 4.33Å; L459-W465 HydrophobicContact CB-CZ3 4.21Å; L459-W465 HydrophobicContact CD1-CD2 4.02Å; L459-W465 HydrophobicContact CD1-CG 4.27Å; L459-W465 HydrophobicContact CD1-CZ2 4.22Å
460N86.1Confident86.9Confident47 Ų4743.8 Ų43.825%0.25123%0.23SC..  trans-76.1177.4179.973.911.1000112.2R401 H462 C463 N464 T466R401-N460 PolarHBondContact NH2-O 3.31Å; R401-N460 VanDerWaalsContact NH2-O 3.13Å; N460-H462 PolarHBondContact O-N 3.04Å; N460-H462 VanDerWaalsContact O-N 3.17Å; N460-H462 VanDerWaalsContact OD1-C 3.28Å; N460-H462 WeakPolarHBondContact OD1-CA 3.39Å; N460-H462 PolarHBondContact OD1-N 3.38Å; N460-C463 PolarHBondContact O-N 3.21Å; N460-C463 PolarHBondContact OD1-N 3.25Å; N460-C463 VanDerWaalsContact OD1-N 3.15Å; N460-N464 VanDerWaalsContact CG-O 3.25Å; N460-N464 PolarHBondContact N-O 3.42Å; N460-N464 PolarHBondContact OD1-N 2.95Å; N460-N464 PolarHBondContact OD1-O 3.11Å; N460-T466 HydrophobicContact CB-CG2 4.47Å
461E85.2Confident86.8Confident158 Ų15851.6 Ų51.674%0.73826%0.26SS*.THydrogen-bonded Turntrans-61.3-22178.7-63-173.2161.500114.1C463E461-C463 VanDerWaalsContact C-N 3.31Å
462H87.4Confident86.8Confident147 Ų14751.7 Ų51.768%0.68126%0.261SS*.THydrogen-bonded Turntrans-93.814.3177.7-58.579.4000112.2N460 N464N460-H462 PolarHBondContact O-N 3.04Å; N460-H462 VanDerWaalsContact O-N 3.17Å; N460-H462 VanDerWaalsContact OD1-C 3.28Å; N460-H462 WeakPolarHBondContact OD1-CA 3.39Å; N460-H462 PolarHBondContact OD1-N 3.38Å; H462-N464 PolarHBondContact O-N 2.82Å
463C87.8Confident86.8Confident42 Ų4259.7 Ų59.728%0.28429%0.291SS..SBendtrans60.526-179.2-590000115.2C402 L459 N460 E461C402-C463 WeakPolarHBondContact CA-SG 3.35Å; C402-C463 HydrophobicContact CB-CB 3.58Å; C402-C463 WeakPolarHBondContact CB-SG 3.48Å; C402-C463 WeakPolarHBondContact SG-CA 3.42Å; C402-C463 WeakPolarHBondContact SG-CB 3.1Å; C402-C463 CovalentContact SG-SG 2.03Å; C402-C463 PolarHBondContact SG-SG 2.83Å; L459-C463 VanDerWaalsContact CD1-C 3.5Å; L459-C463 WeakPolarHBondContact CD1-O 3.31Å; N460-C463 PolarHBondContact O-N 3.21Å; N460-C463 PolarHBondContact OD1-N 3.25Å; N460-C463 VanDerWaalsContact OD1-N 3.15Å; E461-C463 VanDerWaalsContact C-N 3.31Å
464N89.4Confident86.9Confident100 Ų10059.6 Ų59.654%0.53529%0.291SS..  trans-103.1136.4174.1-67.5-31.8000110.9N460 H462 T466N460-N464 VanDerWaalsContact CG-O 3.25Å; N460-N464 PolarHBondContact N-O 3.42Å; N460-N464 PolarHBondContact OD1-N 2.95Å; N460-N464 PolarHBondContact OD1-O 3.11Å; H462-N464 PolarHBondContact O-N 2.82Å; N464-T466 PolarHBondContact O-N 3.29Å
465W89.1Confident87.1Confident19 Ų1963.2 Ų63.27%0.07231%0.31CS..EExtended strand (participates in β ladder)trans-74.9119.1174.1-68.4100.9000111.1H360 C386 M390 S394 F411 C457 L458 L459H360-W465 AromaticContact CE1-CZ3 3.9Å; H360-W465 AromaticContact ND1-CZ3 3.7Å; C386-W465 HydrophobicContact CB-CB 4.06Å; M390-W465 HydrophobicContact CB-CB 4.45Å; M390-W465 HydrophobicContact CB-CD2 3.47Å; M390-W465 VanDerWaalsContact CB-CD2 3.47Å; M390-W465 VanDerWaalsContact CB-CE2 3.47Å; M390-W465 HydrophobicContact CB-CE3 4.03Å; M390-W465 HydrophobicContact CB-CG 3.66Å; M390-W465 HydrophobicContact CB-CZ2 4.02Å; M390-W465 HydrophobicContact CE-CH2 3.63Å; M390-W465 HydrophobicContact CE-CZ2 3.9Å; M390-W465 HydrophobicContact CE-CZ3 4Å; M390-W465 HydrophobicContact CG-CD2 3.78Å; M390-W465 HydrophobicContact CG-CE3 3.79Å; M390-W465 HydrophobicContact CG-CG 4.25Å; M390-W465 HydrophobicContact CG-CH2 4.43Å; M390-W465 HydrophobicContact CG-CZ2 4.43Å; M390-W465 HydrophobicContact CG-CZ3 4.12Å; S394-W465 PolarHBondContact OG-NE1 3Å; F411-W465 HydrophobicContact CE1-CH2 4.29Å; F411-W465 HydrophobicContact CE1-CZ2 4.21Å; F411-W465 HydrophobicContact CE2-CH2 4.49Å; F411-W465 HydrophobicContact CZ-CH2 4.22Å; F411-W465 HydrophobicContact CZ-CZ2 4.23Å; C457-W465 HydrophobicContact CB-CE3 3.97Å; L458-W465 CarbonylContact O-C 3.25Å; L458-W465 WeakPolarHBondContact O-CA 3.48Å; L459-W465 HydrophobicContact CB-CE3 4.32Å; L459-W465 HydrophobicContact CB-CH2 4.33Å; L459-W465 HydrophobicContact CB-CZ3 4.21Å; L459-W465 HydrophobicContact CD1-CD2 4.02Å; L459-W465 HydrophobicContact CD1-CG 4.27Å; L459-W465 HydrophobicContact CD1-CZ2 4.22Å
466T87.6Confident87.2Confident60 Ų6065 Ų6537%0.36832%0.317SS..EExtended strand (participates in β ladder)trans-124.6152.5-179.157.40000110.2C457 L458 N460 N464C457-T466 WeakPolarHBondContact CA-O 3.43Å; L458-T466 PolarHBondContact N-O 3.38Å; L458-T466 PolarHBondContact O-N 2.87Å; L458-T466 PolarHBondContact O-OG1 3.1Å; N460-T466 HydrophobicContact CB-CG2 4.47Å; N464-T466 PolarHBondContact O-N 3.29Å
467K86.3Confident87.3Confident81 Ų8167.8 Ų67.835%0.35233%0.332SS..EExtended strand (participates in β ladder)trans-75.5132.9177.3-168.8-178.1-176.3-177.70110.1N319 T469N319-K467 PolarHBondContact OD1-NZ 3.33Å; K467-T469 PolarHBondContact O-N 3.15Å
468S83.1Confident87.4Confident7 Ų767.8 Ų67.85%0.04933%0.332CS..  trans-61126172.7-175.20000111A358 N456A358-S468 WeakPolarHBondContact O-CB 3.5Å; A358-S468 PolarHBondContact O-OG 3.25Å; N456-S468 WeakPolarHBondContact O-CB 3.43Å; N456-S468 PolarHBondContact O-N 3.26Å
469T78.3Confident87.6Confident133 Ų13369.4 Ų69.482%0.81634%0.336SS*.  trans-93.5-15.8175.953.10000112.5K467K467-T469 PolarHBondContact O-N 3.15Å
470S79.5Confident87.7Confident43 Ų4368.6 Ų68.630%0.30133%0.331SS..  trans-86.1121.4-174.1-64.70000110.4V472S470-V472 PolarHBondContact O-N 2.74Å
471R85.4Confident88Confident189 Ų18966.3 Ų66.371%0.71332%0.32SS*.  trans-78108.9170.7-70.6-168.6-169.6172.86.2110A316A316-R471 WeakPolarHBondContact O-CA 3.39Å
472V86.9Confident88.2Confident8 Ų859 Ų595%0.04829%0.286CS..EExtended strand (participates in β ladder)trans-132.5127.1-177.8-179.80000108.9A316 S352 A358 S470 L474A316-V472 HydrophobicContact CB-CB 4.41Å; A316-V472 WeakPolarHBondContact CB-O 3.41Å; A316-V472 PolarHBondContact N-O 2.75Å; A316-V472 PolarHBondContact O-N 3.37Å; S352-V472 WeakPolarHBondContact OG-CG1 3.33Å; A358-V472 HydrophobicContact CB-CB 3.52Å; A358-V472 HydrophobicContact CB-CG1 4.11Å; A358-V472 HydrophobicContact CB-CG2 3.64Å; S470-V472 PolarHBondContact O-N 2.74Å; V472-L474 HydrophobicContact CG1-CD2 3.99Å; V472-L474 PolarHBondContact O-N 3.03Å
473R89.6Confident88.3Confident168 Ų16852.2 Ų52.263%0.63426%0.255SS*.EExtended strand (participates in β ladder)trans-83.2111.4173.7-175.9175.1179.51572.4109.1A313 S352A313-R473 HydrophobicContact CB-CG 4.39Å; S352-R473 VanDerWaalsContact CB-O 3.31Å; S352-R473 WeakPolarHBondContact CB-O 3.12Å; S352-R473 PolarHBondContact OG-O 2.9Å
474L89.6Confident88.3Confident0 Ų051.7 Ų51.70%025%0.248CC..EExtended strand (participates in β ladder)trans-89.3127.1173.9-55.8-177000108.8A313 W314 I350 A359 V414 P415 L454 V472A313-L474 CarbonylContact C-O 3.5Å; A313-L474 WeakPolarHBondContact CA-O 2.97Å; W314-L474 HydrophobicContact CE3-CD1 3.79Å; W314-L474 HydrophobicContact CE3-CG 4.34Å; W314-L474 HydrophobicContact CZ3-CD1 3.97Å; W314-L474 PolarHBondContact N-O 3.17Å; W314-L474 PolarHBondContact O-N 2.91Å; I350-L474 HydrophobicContact CG2-CB 4.15Å; I350-L474 HydrophobicContact CG2-CD1 4.39Å; A359-L474 HydrophobicContact CB-CD1 3.98Å; V414-L474 HydrophobicContact CB-CD1 4.45Å; V414-L474 HydrophobicContact CG2-CD1 3.77Å; P415-L474 HydrophobicContact CB-CD2 3.77Å; P415-L474 HydrophobicContact CG-CD2 4.02Å; L454-L474 HydrophobicContact CD2-CD1 4.44Å; V472-L474 HydrophobicContact CG1-CD2 3.99Å; V472-L474 PolarHBondContact O-N 3.03Å
475N92.2Very high88.2Confident76 Ų7647.7 Ų47.741%0.40623%0.227SC..EExtended strand (participates in β ladder)trans-103.2123.7168.5-61.3-41000107.6A313 I350 T351A313-N475 WeakPolarHBondContact CB-OD1 3.39Å; I350-N475 WeakPolarHBondContact CA-O 3.38Å; T351-N475 PolarHBondContact N-O 2.93Å; T351-N475 PolarHBondContact O-N 3.19Å
476Y91.7Very high88Confident39 Ų3952.6 Ų52.615%0.15326%0.255CS..EExtended strand (participates in β ladder)trans-118.9140.6-177.259.9-96.5000111.2I310 V311 G312 W314 L326 N349 I478I310-Y476 HydrophobicContact CB-CE2 4.11Å; I310-Y476 HydrophobicContact CD1-CD2 4.48Å; I310-Y476 HydrophobicContact CD1-CE2 4.39Å; I310-Y476 HydrophobicContact CG1-CD2 4.32Å; I310-Y476 HydrophobicContact CG1-CE2 4.31Å; V311-Y476 VanDerWaalsContact CA-O 3.3Å; V311-Y476 WeakPolarHBondContact CA-O 3.19Å; G312-Y476 VanDerWaalsContact C-CE1 3.48Å; G312-Y476 VanDerWaalsContact CA-CZ 3.49Å; G312-Y476 VanDerWaalsContact N-CE2 3.35Å; G312-Y476 PolarHBondContact N-O 3.35Å; G312-Y476 VanDerWaalsContact N-O 3.15Å; G312-Y476 WeakPolarHBondContact O-CD1 3.46Å; G312-Y476 PolarHBondContact O-N 3.05Å; W314-Y476 HydrophobicContact CB-CD1 4.46Å; W314-Y476 HydrophobicContact CB-CE1 4.02Å; L326-Y476 HydrophobicContact CD2-CE1 3.95Å; L326-Y476 HydrophobicContact CD2-CE2 4.3Å; N349-Y476 CarbonylContact O-C 3.47Å; N349-Y476 WeakPolarHBondContact O-CA 3.3Å; Y476-I478 HydrophobicContact CD2-CD1 4.3Å; Y476-I478 HydrophobicContact CD2-CG1 4.44Å; Y476-I478 HydrophobicContact CG-CD1 4.43Å
477D92Very high87.8Confident59 Ų5955.2 Ų55.232%0.31626%0.259SS..EExtended strand (participates in β ladder)trans-132.699.9166.7-169.7-17.4000107.5N309 I310 V311 G348 N349 R563N309-D477 PolarHBondContact ND2-OD1 2.8Å; I310-D477 WeakPolarHBondContact O-CA 3.39Å; V311-D477 HydrophobicContact CG2-CB 3.57Å; V311-D477 WeakPolarHBondContact CG2-OD1 3.39Å; V311-D477 WeakPolarHBondContact CG2-OD2 2.96Å; G348-D477 CarbonylContact C-O 3.51Å; G348-D477 VanDerWaalsContact CA-O 3.26Å; G348-D477 WeakPolarHBondContact CA-O 3.36Å; N349-D477 PolarHBondContact N-O 3.4Å; N349-D477 PolarHBondContact O-N 3.37Å; D477-R563 IonicContact OD1-NH2 3.55Å; D477-R563 IonicContact OD2-NH2 3.72Å
478I91.9Very high87.6Confident0 Ų053.6 Ų53.60%026%0.257CS..EExtended strand (participates in β ladder)trans-125131.1-171.1-46.5171000109N309 I310 L326 I346 Y347 I350 L361 F437 L452 Y476 L480N309-I478 CarbonylContact C-O 3.57Å; N309-I478 VanDerWaalsContact CA-O 3.31Å; N309-I478 WeakPolarHBondContact CA-O 3.4Å; N309-I478 PolarHBondContact ND2-O 3.37Å; I310-I478 HydrophobicContact CD1-CB 3.98Å; I310-I478 HydrophobicContact CD1-CD1 4.03Å; I310-I478 HydrophobicContact CD1-CG1 4.43Å; I310-I478 HydrophobicContact CG1-CB 3.66Å; I310-I478 HydrophobicContact CG1-CD1 4.47Å; I310-I478 HydrophobicContact CG1-CG1 4.36Å; I310-I478 WeakPolarHBondContact CG1-O 3.28Å; I310-I478 PolarHBondContact N-O 3.28Å; I310-I478 PolarHBondContact O-N 3.49Å; L326-I478 HydrophobicContact CD1-CD1 4.11Å; I346-I478 HydrophobicContact CG2-CG2 3.6Å; Y347-I478 CarbonylContact O-C 3.52Å; Y347-I478 WeakPolarHBondContact O-CA 3.32Å; I350-I478 HydrophobicContact CD1-CD1 3.75Å; I350-I478 HydrophobicContact CD1-CG1 4.43Å; I350-I478 HydrophobicContact CG1-CD1 4.04Å; I350-I478 HydrophobicContact CG1-CG1 4.25Å; L361-I478 HydrophobicContact CD1-CD1 4.16Å; F437-I478 HydrophobicContact CE2-CG2 4.38Å; F437-I478 HydrophobicContact CZ-CD1 4.21Å; F437-I478 HydrophobicContact CZ-CG1 4.05Å; F437-I478 HydrophobicContact CZ-CG2 3.88Å; L452-I478 HydrophobicContact CD2-CD1 3.91Å; L452-I478 HydrophobicContact CD2-CG2 3.97Å; Y476-I478 HydrophobicContact CD2-CD1 4.3Å; Y476-I478 HydrophobicContact CD2-CG1 4.44Å; Y476-I478 HydrophobicContact CG-CD1 4.43Å; I478-L480 HydrophobicContact CG2-CD1 4.44Å
479W91.9Very high87.4Confident63 Ų6356.5 Ų56.524%0.23929%0.289CS..EExtended strand (participates in β ladder)trans-100.5140.4173.4-65.781000109.5L308 N309 I346 Y347L308-W479 CarbonylContact O-C 3.52Å; L308-W479 VanDerWaalsContact O-CA 3.32Å; L308-W479 WeakPolarHBondContact O-CA 3.03Å; N309-W479 HydrophobicContact CB-CD2 3.77Å; N309-W479 HydrophobicContact CB-CE3 3.63Å; N309-W479 HydrophobicContact CB-CG 4.43Å; N309-W479 HydrophobicContact CB-CH2 3.97Å; N309-W479 HydrophobicContact CB-CZ2 4.1Å; N309-W479 HydrophobicContact CB-CZ3 3.75Å; N309-W479 VanDerWaalsContact ND2-CD1 3.33Å; N309-W479 PolarHBondContact ND2-NE1 3.04Å; N309-W479 VanDerWaalsContact ND2-NE1 3.11Å; I346-W479 CarbonylContact C-O 3.57Å; I346-W479 WeakPolarHBondContact CA-O 3.39Å; Y347-W479 HydrophobicContact CD1-CB 4.1Å; Y347-W479 HydrophobicContact CD2-CB 4.02Å; Y347-W479 HydrophobicContact CD2-CG 4.37Å; Y347-W479 HydrophobicContact CE1-CB 3.65Å; Y347-W479 HydrophobicContact CE2-CB 3.6Å; Y347-W479 AromaticContact CE2-CD1 3.8Å; Y347-W479 AromaticContact CE2-CG 3.7Å; Y347-W479 HydrophobicContact CE2-CG 3.7Å; Y347-W479 HydrophobicContact CG-CB 4.28Å; Y347-W479 AromaticContact CZ-CG 3.8Å; Y347-W479 PolarHBondContact N-O 3.35Å; Y347-W479 PolarHBondContact O-N 2.73Å
480L91.6Very high87.7Confident1 Ų156.7 Ų56.71%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-130.197.3176.6-62.493.6000108.1L308 I310 A327 F329 F331 Y345 I346 L452 I478L308-L480 WeakPolarHBondContact CD1-O 3.19Å; L308-L480 WeakPolarHBondContact CG-O 3.49Å; L308-L480 PolarHBondContact O-N 2.84Å; I310-L480 HydrophobicContact CD1-CD1 4.05Å; I310-L480 HydrophobicContact CG1-CD1 3.99Å; A327-L480 HydrophobicContact CB-CD1 4.29Å; A327-L480 HydrophobicContact CB-CD2 4.09Å; F329-L480 HydrophobicContact CB-CB 4.32Å; F329-L480 HydrophobicContact CB-CD2 3.83Å; F329-L480 HydrophobicContact CD1-CB 4.44Å; F329-L480 HydrophobicContact CD2-CB 4.17Å; F329-L480 WeakPolarHBondContact CE2-O 3.48Å; F329-L480 HydrophobicContact CG-CB 4.04Å; F329-L480 HydrophobicContact CG-CD2 4.45Å; F329-L480 WeakPolarHBondContact CZ-O 3.37Å; F331-L480 HydrophobicContact CZ-CB 4.22Å; Y345-L480 CarbonylContact O-C 3.37Å; Y345-L480 WeakPolarHBondContact O-CA 3.39Å; I346-L480 HydrophobicContact CD1-CD2 3.77Å; I346-L480 HydrophobicContact CD1-CG 4.23Å; I346-L480 HydrophobicContact CG1-CB 4.22Å; I346-L480 HydrophobicContact CG1-CD2 4.04Å; I346-L480 HydrophobicContact CG1-CG 3.94Å; I346-L480 HydrophobicContact CG2-CG 4.14Å; L452-L480 HydrophobicContact CB-CD2 4.44Å; L452-L480 HydrophobicContact CD2-CD2 4.43Å; I478-L480 HydrophobicContact CG2-CD1 4.44Å
481V91.8Very high87.9Confident0 Ų057.5 Ų57.50%028%0.284CS..EExtended strand (participates in β ladder)trans-125.3157-168-57.90000113.2L308 F331 G344 Y345 Y347 P485 H495L308-V481 HydrophobicContact CD1-CG1 4.35Å; L308-V481 HydrophobicContact CD2-CG1 4.05Å; L308-V481 HydrophobicContact CG-CG1 4.22Å; F331-V481 VanDerWaalsContact CE1-O 3.31Å; F331-V481 WeakPolarHBondContact CE1-O 3.49Å; G344-V481 WeakPolarHBondContact CA-O 3.48Å; Y345-V481 PolarHBondContact N-O 2.79Å; Y345-V481 PolarHBondContact O-N 3.31Å; Y347-V481 HydrophobicContact CE1-CG1 4.37Å; Y347-V481 HydrophobicContact CE1-CG2 3.71Å; V481-P485 HydrophobicContact CG2-CG 4.37Å; V481-H495 WeakPolarHBondContact CG2-CE1 3.35Å
482N89.4Confident88Confident5 Ų549.5 Ų49.53%0.02726%0.256CS..EExtended strand (participates in β ladder)trans-93.3118.9171.8-78.6-58.2000110.5F329 F331 Q332 H495 F497 Q502F329-N482 WeakPolarHBondContact CE1-ND2 3.49Å; F331-N482 VanDerWaalsContact CA-OD1 3.27Å; F331-N482 WeakPolarHBondContact CA-OD1 3.45Å; Q332-N482 HydrophobicContact CG-CB 4.28Å; Q332-N482 PolarHBondContact N-OD1 3.03Å; N482-H495 PolarHBondContact N-O 2.8Å; N482-H495 VanDerWaalsContact O-CA 3.24Å; N482-H495 WeakPolarHBondContact O-CA 3.45Å; N482-H495 PolarHBondContact O-ND1 2.03Å; N482-F497 PolarHBondContact ND2-O 3.17Å; N482-Q502 PolarHBondContact ND2-NE2 3.17Å
483G88.7Confident87.9Confident3 Ų351.3 Ų51.33%0.03126%0.264CS..SBendtrans84.2160.4-175.500000114.1G341 R343 Y345 H495G341-G483 WeakPolarHBondContact O-CA 3.2Å; R343-G483 WeakPolarHBondContact O-CA 3.41Å; R343-G483 PolarHBondContact O-N 3.15Å; Y345-G483 VanDerWaalsContact CD2-C 3.49Å; Y345-G483 WeakPolarHBondContact CD2-O 3.47Å; G483-H495 PolarHBondContact O-CE1 2.97Å; G483-H495 PolarHBondContact O-ND1 3.17Å
484H88.7Confident87.8Confident31 Ų3146.9 Ų46.914%0.14425%0.25CS..  trans-61.5136-175.7-163.6-69.4000112.7E340 Y345 D486 R487E340-H484 WeakPolarHBondContact O-CB 3.21Å; E340-H484 PolarHBondContact O-N 3.42Å; Y345-H484 AromaticContact CE1-CD2 3.71Å; Y345-H484 HydrophobicContact CE2-CB 3.88Å; Y345-H484 VanDerWaalsContact CE2-N 3.3Å; Y345-H484 AromaticContact CZ-CD2 3.5Å; Y345-H484 VanDerWaalsContact CZ-CD2 3.5Å; Y345-H484 AromaticContact CZ-CG 3.88Å; Y345-H484 PolarHBondContact OH-CD2 2.85Å; H484-D486 VanDerWaalsContact C-N 3.32Å; H484-D486 IonicContact CE1-OD1 3.18Å; H484-D486 IonicContact CE1-OD2 3.56Å; H484-D486 PolarHBondContact CE1-OD2 2.64Å; H484-D486 WeakPolarHBondContact ND1-CB 3.14Å; H484-D486 PolarHBondContact ND1-N 3.18Å; H484-D486 IonicContact ND1-OD1 3.63Å; H484-D486 IonicContact ND1-OD2 3.44Å; H484-D486 PolarHBondContact O-N 3.49Å; H484-R487 WeakPolarHBondContact O-CA 3.46Å; H484-R487 PolarHBondContact O-N 3.11Å
485P86.7Confident87.7Confident16 Ų1647.2 Ų47.210%0.10425%0.252CS..G310 helixtrans-52.4-40.4177.9-31.738.9000115.3Y347 V432 V481 R487 S488Y347-P485 HydrophobicContact CD1-CG 4.05Å; Y347-P485 HydrophobicContact CE1-CB 4.39Å; Y347-P485 HydrophobicContact CE1-CG 3.35Å; Y347-P485 HydrophobicContact CE2-CG 4.43Å; V432-P485 HydrophobicContact CG1-CB 4.11Å; V432-P485 HydrophobicContact CG1-CG 3.88Å; V432-P485 HydrophobicContact CG2-CG 3.94Å; V481-P485 HydrophobicContact CG2-CG 4.37Å; P485-R487 PolarHBondContact O-N 3.09Å; P485-R487 VanDerWaalsContact O-N 3.11Å; P485-S488 WeakPolarHBondContact O-CB 3.5Å; P485-S488 PolarHBondContact O-N 3.48Å; P485-S488 PolarHBondContact O-OG 3.09Å
486D85Confident87.5Confident123 Ų12344.5 Ų44.566%0.65824%0.237SC*.G310 helixtrans-57.5-22.7173.8-60.1-1.9000114.4H484H484-D486 VanDerWaalsContact C-N 3.32Å; H484-D486 IonicContact CE1-OD1 3.18Å; H484-D486 IonicContact CE1-OD2 3.56Å; H484-D486 PolarHBondContact CE1-OD2 2.64Å; H484-D486 WeakPolarHBondContact ND1-CB 3.14Å; H484-D486 PolarHBondContact ND1-N 3.18Å; H484-D486 IonicContact ND1-OD1 3.63Å; H484-D486 IonicContact ND1-OD2 3.44Å; H484-D486 PolarHBondContact O-N 3.49Å
487R82.9Confident87.3Confident115 Ų11543 Ų4343%0.43423%0.231SC..G310 helixtrans-102.19.5178.3-60-171.3-169.2-169.68.1113E340 H484 P485 G489 I490E340-R487 IonicContact OE2-NH2 3.34Å; E340-R487 PolarHBondContact OE2-NH2 3.2Å; H484-R487 WeakPolarHBondContact O-CA 3.46Å; H484-R487 PolarHBondContact O-N 3.11Å; P485-R487 PolarHBondContact O-N 3.09Å; P485-R487 VanDerWaalsContact O-N 3.11Å; R487-G489 PolarHBondContact O-N 3.43Å; R487-G489 VanDerWaalsContact O-N 3.08Å; R487-I490 HydrophobicContact CB-CD1 3.95Å; R487-I490 HydrophobicContact CB-CG1 4.43Å; R487-I490 HydrophobicContact CG-CD1 4.23Å; R487-I490 PolarHBondContact O-N 2.9Å
488S81.9Confident87.1Confident46 Ų4640.5 Ų40.532%0.32222%0.218SC..THydrogen-bonded Turntrans-54-29.3179.955.40000114P485 H495P485-S488 WeakPolarHBondContact O-CB 3.5Å; P485-S488 PolarHBondContact O-N 3.48Å; P485-S488 PolarHBondContact O-OG 3.09Å; S488-H495 WeakPolarHBondContact CB-CD2 3.48Å; S488-H495 WeakPolarHBondContact CB-NE2 3.38Å
489G80.9Confident86.9Confident69 Ų6942.1 Ų42.171%0.71123%0.225SC*.THydrogen-bonded Turntrans-74.7-16.3179.100000115.6R487R487-G489 PolarHBondContact O-N 3.43Å; R487-G489 VanDerWaalsContact O-N 3.08Å
490I82.7Confident86.5Confident136 Ų13639.1 Ų39.170%0.69721%0.214SC*.THydrogen-bonded Turntrans-71.6-50.5-177-59.6179.4000110.4R487R487-I490 HydrophobicContact CB-CD1 3.95Å; R487-I490 HydrophobicContact CB-CG1 4.43Å; R487-I490 HydrophobicContact CG-CD1 4.23Å; R487-I490 PolarHBondContact O-N 2.9Å
491N85.4Confident86.2Confident61 Ų6141.1 Ų41.133%0.32622%0.221SC..  trans-142.384.7176.2-169.4-2.4000110.6F493 E494 H495N491-F493 PolarHBondContact O-N 3.24Å; N491-F493 PolarHBondContact OD1-N 3.41Å; N491-E494 HydrophobicContact CB-CB 4.12Å; N491-E494 VanDerWaalsContact ND2-CB 3.35Å; N491-E494 WeakPolarHBondContact ND2-CB 3.48Å; N491-E494 PolarHBondContact ND2-OE2 3.41Å; N491-E494 PolarHBondContact O-N 2.95Å; N491-E494 PolarHBondContact OD1-N 3.18Å; N491-H495 WeakPolarHBondContact O-CB 3.39Å; N491-H495 PolarHBondContact O-N 3.29Å
492P86.2Confident86Confident20 Ų2041.7 Ų41.713%0.1322%0.224CC..Hα-helixtrans-61.3-28.6-177.721.3-31.8000113.3Q496 A559 F560P492-Q496 WeakPolarHBondContact O-CB 3.48Å; P492-Q496 PolarHBondContact O-N 2.05Å; P492-A559 HydrophobicContact CB-CB 4.27Å; P492-A559 WeakPolarHBondContact CB-O 3.26Å; P492-F560 HydrophobicContact CB-CE1 4.49Å; P492-F560 HydrophobicContact CG-CE1 4.15Å; P492-F560 HydrophobicContact CG-CZ 4.24Å
493F86.2Confident85.9Confident46 Ų4645.8 Ų45.820%0.20225%0.246CC..Hα-helixtrans-74.6-25.6-179.9-62.6-77000113.5N491 F497 M505 L556 A559N491-F493 PolarHBondContact O-N 3.24Å; N491-F493 PolarHBondContact OD1-N 3.41Å; F493-F497 HydrophobicContact CD1-CE2 4.27Å; F493-F497 WeakPolarHBondContact O-CB 3.44Å; F493-F497 WeakPolarHBondContact O-CD2 3.33Å; F493-M505 HydrophobicContact CD1-CB 3.86Å; F493-M505 HydrophobicContact CD1-CG 4.05Å; F493-M505 HydrophobicContact CE1-CB 3.94Å; F493-M505 HydrophobicContact CE1-CG 3.63Å; F493-M505 HydrophobicContact CZ-CG 4.14Å; F493-L556 HydrophobicContact CE1-CD1 4.4Å; F493-L556 HydrophobicContact CZ-CD1 3.88Å; F493-A559 HydrophobicContact CD1-CB 3.51Å; F493-A559 HydrophobicContact CE1-CB 3.51Å; F493-A559 HydrophobicContact CG-CB 4.16Å; F493-A559 HydrophobicContact CZ-CB 4.18Å
494E86.3Confident85.8Confident75 Ų7545.8 Ų45.835%0.3525%0.245SC..Hα-helixtrans-85.9-41.8172.2-172.7177.1168.700110.3Q332 N491 Q502Q332-E494 PolarHBondContact NE2-OE1 3.29Å; Q332-E494 PolarHBondContact OE1-OE1 2.98Å; N491-E494 HydrophobicContact CB-CB 4.12Å; N491-E494 VanDerWaalsContact ND2-CB 3.35Å; N491-E494 WeakPolarHBondContact ND2-CB 3.48Å; N491-E494 PolarHBondContact ND2-OE2 3.41Å; N491-E494 PolarHBondContact O-N 2.95Å; N491-E494 PolarHBondContact OD1-N 3.18Å; E494-Q502 PolarHBondContact O-NE2 3.43Å
495H87.8Confident85.9Confident8 Ų846.2 Ų46.24%0.03725%0.248CC..Hα-helixtrans-65.6-50-175.6-179.170.8000113.6V481 N482 G483 S488 N491 F497V481-H495 WeakPolarHBondContact CG2-CE1 3.35Å; N482-H495 PolarHBondContact N-O 2.8Å; N482-H495 VanDerWaalsContact O-CA 3.24Å; N482-H495 WeakPolarHBondContact O-CA 3.45Å; N482-H495 PolarHBondContact O-ND1 2.03Å; G483-H495 PolarHBondContact O-CE1 2.97Å; G483-H495 PolarHBondContact O-ND1 3.17Å; S488-H495 WeakPolarHBondContact CB-CD2 3.48Å; S488-H495 WeakPolarHBondContact CB-NE2 3.38Å; N491-H495 WeakPolarHBondContact O-CB 3.39Å; N491-H495 PolarHBondContact O-N 3.29Å; H495-F497 VanDerWaalsContact C-N 3.33Å; H495-F497 PolarHBondContact O-N 2.82Å
496Q88.4Confident86.1Confident18 Ų1849.9 Ų49.98%0.08426%0.264CS..THydrogen-bonded Turntrans-88.78.8-174.8-61.4-78.3-18.300113L308 P492 F558 A559L308-Q496 WeakPolarHBondContact CD1-O 3.45Å; L308-Q496 HydrophobicContact CD2-CB 3.91Å; L308-Q496 HydrophobicContact CD2-CG 4.4Å; L308-Q496 WeakPolarHBondContact CD2-O 3.42Å; P492-Q496 WeakPolarHBondContact O-CB 3.48Å; P492-Q496 PolarHBondContact O-N 2.05Å; Q496-F558 WeakPolarHBondContact O-CD1 3.35Å; Q496-F558 WeakPolarHBondContact O-CE1 3.39Å; Q496-A559 VanDerWaalsContact CG-O 3.23Å; Q496-A559 WeakPolarHBondContact CG-O 3.26Å
497F87.4Confident86.4Confident9 Ų946 Ų464%0.03924%0.243CC..SBendtrans-122.4140.9177.7-74.6-96.7000112N482 F493 H495 R501 Q502 C555 F558 A559N482-F497 PolarHBondContact ND2-O 3.17Å; F493-F497 HydrophobicContact CD1-CE2 4.27Å; F493-F497 WeakPolarHBondContact O-CB 3.44Å; F493-F497 WeakPolarHBondContact O-CD2 3.33Å; H495-F497 VanDerWaalsContact C-N 3.33Å; H495-F497 PolarHBondContact O-N 2.82Å; F497-R501 HydrophobicContact CB-CB 4.37Å; F497-R501 HydrophobicContact CD1-CB 3.75Å; F497-Q502 HydrophobicContact CB-CG 4Å; F497-Q502 PolarHBondContact O-NE2 3.31Å; F497-C555 HydrophobicContact CZ-CB 4.16Å; F497-F558 AromaticContact CD1-CD1 3.86Å; F497-F558 HydrophobicContact CD1-CD1 3.86Å; F497-F558 HydrophobicContact CD1-CE1 4.07Å; F497-F558 HydrophobicContact CD2-CD1 4.16Å; F497-F558 HydrophobicContact CE1-CB 4.43Å; F497-F558 AromaticContact CE1-CD1 3.53Å; F497-F558 HydrophobicContact CE1-CD1 3.53Å; F497-F558 HydrophobicContact CE1-CE1 4.15Å; F497-F558 HydrophobicContact CE1-CG 4.29Å; F497-F558 HydrophobicContact CE2-CB 4.45Å; F497-F558 AromaticContact CE2-CD1 3.85Å; F497-F558 HydrophobicContact CE2-CD1 3.85Å; F497-F558 HydrophobicContact CG-CD1 4.2Å; F497-F558 HydrophobicContact CG-CE1 4.4Å; F497-F558 HydrophobicContact CZ-CB 3.89Å; F497-F558 AromaticContact CZ-CD1 3.54Å; F497-F558 HydrophobicContact CZ-CD1 3.54Å; F497-F558 HydrophobicContact CZ-CG 4.14Å; F497-A559 HydrophobicContact CE2-CB 3.95Å
498S86.9Confident87Confident6 Ų641 Ų414%0.04222%0.224CC..  trans-60.9145.3165.9-168.40000109.7F329 A330 E500 R501 Q502F329-S498 VanDerWaalsContact CE2-N 3.28Å; F329-S498 VanDerWaalsContact CZ-N 3.31Å; A330-S498 WeakPolarHBondContact CA-OG 3.46Å; A330-S498 WeakPolarHBondContact CB-OG 3.37Å; A330-S498 PolarHBondContact N-OG 3.5Å; S498-E500 WeakPolarHBondContact CB-OE1 3.18Å; S498-E500 VanDerWaalsContact CB-OE2 3.22Å; S498-E500 WeakPolarHBondContact CB-OE2 3.35Å; S498-E500 PolarHBondContact O-N 3.21Å; S498-E500 PolarHBondContact OG-OE1 3.1Å; S498-E500 VanDerWaalsContact OG-OE1 3.13Å; S498-E500 PolarHBondContact OG-OE2 3.43Å; S498-R501 CarbonylContact O-C 3.57Å; S498-R501 WeakPolarHBondContact O-CA 3.44Å; S498-R501 PolarHBondContact O-N 3.23Å; S498-Q502 PolarHBondContact O-N 3.18Å
499F88.9Confident87.5Confident34 Ų3440.1 Ų40.115%0.14922%0.22CC..THydrogen-bonded Turntrans-52.1-36.3-172.4-179.1-95.1000113.5A330 Q332 A447 R501 Q502 L704 W705A330-F499 HydrophobicContact CB-CB 3.77Å; A330-F499 WeakPolarHBondContact O-CB 3.38Å; A330-F499 PolarHBondContact O-N 3.12Å; Q332-F499 HydrophobicContact CB-CD2 3.79Å; Q332-F499 HydrophobicContact CB-CE2 4.43Å; A447-F499 HydrophobicContact CB-CB 4.27Å; A447-F499 HydrophobicContact CB-CD1 3.54Å; A447-F499 HydrophobicContact CB-CD2 3.84Å; A447-F499 HydrophobicContact CB-CE1 3.74Å; A447-F499 HydrophobicContact CB-CE2 4.02Å; A447-F499 HydrophobicContact CB-CG 3.59Å; A447-F499 HydrophobicContact CB-CZ 3.97Å; F499-R501 PolarHBondContact O-N 3.1Å; F499-Q502 VanDerWaalsContact CD2-OE1 3.28Å; F499-Q502 PolarHBondContact O-N 3.02Å; F499-L704 HydrophobicContact CD1-CB 4.19Å; F499-L704 HydrophobicContact CD1-CD2 4.11Å; F499-L704 HydrophobicContact CE1-CB 4.34Å; F499-W705 HydrophobicContact CE1-CH2 4.46Å; F499-W705 AromaticContact CE1-CZ2 3.93Å; F499-W705 HydrophobicContact CE1-CZ2 3.93Å; F499-W705 HydrophobicContact CZ-CH2 4.09Å; F499-W705 AromaticContact CZ-CZ2 3.75Å; F499-W705 HydrophobicContact CZ-CZ2 3.75Å
500E82.7Confident88.2Confident0 Ų043 Ų430%021%0.213CC..THydrogen-bonded Turntrans-70.3-16.2177.481.2-67.3163.500114.6L306 A330 F449 S498 L704L306-E500 WeakPolarHBondContact CD1-OE1 3.48Å; L306-E500 WeakPolarHBondContact CD2-OE1 3.3Å; A330-E500 VanDerWaalsContact CB-OE2 3.25Å; A330-E500 WeakPolarHBondContact CB-OE2 3.34Å; F449-E500 HydrophobicContact CZ-CB 4.34Å; F449-E500 HydrophobicContact CZ-CG 4.11Å; S498-E500 WeakPolarHBondContact CB-OE1 3.18Å; S498-E500 VanDerWaalsContact CB-OE2 3.22Å; S498-E500 WeakPolarHBondContact CB-OE2 3.35Å; S498-E500 PolarHBondContact O-N 3.21Å; S498-E500 PolarHBondContact OG-OE1 3.1Å; S498-E500 VanDerWaalsContact OG-OE1 3.13Å; S498-E500 PolarHBondContact OG-OE2 3.43Å; E500-L704 VanDerWaalsContact CA-O 3.23Å; E500-L704 WeakPolarHBondContact CA-O 3.49Å; E500-L704 WeakPolarHBondContact CB-O 3.37Å
501R85.3Confident88.8Confident43 Ų4336.5 Ų36.516%0.16218%0.179CC..THydrogen-bonded Turntrans-109.4-9.6178-65.5-67.9-167.5140.10.3113.9L306 F497 S498 F499 T504 Q631 Y707L306-R501 HydrophobicContact CD2-CG 4.3Å; F497-R501 HydrophobicContact CB-CB 4.37Å; F497-R501 HydrophobicContact CD1-CB 3.75Å; S498-R501 CarbonylContact O-C 3.57Å; S498-R501 WeakPolarHBondContact O-CA 3.44Å; S498-R501 PolarHBondContact O-N 3.23Å; F499-R501 PolarHBondContact O-N 3.1Å; R501-T504 WeakPolarHBondContact O-CB 3.46Å; R501-T504 WeakPolarHBondContact O-CG2 3.26Å; R501-T504 PolarHBondContact O-N 3.26Å; R501-T504 PolarHBondContact O-OG1 3.29Å; R501-Q631 PolarHBondContact NH2-O 3.35Å; R501-Y707 VanDerWaalsContact NH1-CE2 3.31Å; R501-Y707 PolarHBondContact NH1-OH 3.31Å
502Q88Confident89.3Confident11 Ų1135.8 Ų35.85%0.05117%0.174CC..THydrogen-bonded Turntrans-56.7149.4168.6-70177.4-19.300110N482 E494 F497 S498 F499 T504 K708N482-Q502 PolarHBondContact ND2-NE2 3.17Å; E494-Q502 PolarHBondContact O-NE2 3.43Å; F497-Q502 HydrophobicContact CB-CG 4Å; F497-Q502 PolarHBondContact O-NE2 3.31Å; S498-Q502 PolarHBondContact O-N 3.18Å; F499-Q502 VanDerWaalsContact CD2-OE1 3.28Å; F499-Q502 PolarHBondContact O-N 3.02Å; Q502-T504 PolarHBondContact O-N 3.33Å; Q502-K708 VanDerWaalsContact O-CD 3.24Å; Q502-K708 WeakPolarHBondContact O-CD 3.37Å; Q502-K708 WeakPolarHBondContact O-CE 3.47Å; Q502-K708 PolarHBondContact O-NZ 2.95Å
503D87.2Confident89.8Confident91 Ų9140 Ų4049%0.48720%0.195SC..THydrogen-bonded Turntrans66.76.7-176.4-38-56000116.2E506 L507 K708D503-E506 WeakPolarHBondContact CA-OE2 3.46Å; D503-L507 PolarHBondContact O-N 3.14Å; D503-K708 HydrophobicContact CB-CD 4.36Å; D503-K708 IonicContact OD2-NZ 3.62Å; D503-K708 PolarHBondContact OD2-NZ 2.72Å
504T87.6Confident90.3Very high3 Ų340.1 Ų40.12%0.01820%0.197CC..Hα-helixtrans-75-26.7-178.6550000112.9R501 Q502 L507 F508 Y707 K708R501-T504 WeakPolarHBondContact O-CB 3.46Å; R501-T504 WeakPolarHBondContact O-CG2 3.26Å; R501-T504 PolarHBondContact O-N 3.26Å; R501-T504 PolarHBondContact O-OG1 3.29Å; Q502-T504 PolarHBondContact O-N 3.33Å; T504-L507 PolarHBondContact O-N 2.82Å; T504-F508 WeakPolarHBondContact O-CD2 3.38Å; T504-F508 WeakPolarHBondContact O-CG 3.28Å; T504-F508 PolarHBondContact O-N 3.29Å; T504-Y707 HydrophobicContact CG2-CD1 3.73Å; T504-Y707 HydrophobicContact CG2-CE1 3.49Å; T504-Y707 VanDerWaalsContact CG2-CE1 3.49Å; T504-K708 HydrophobicContact CG2-CG 4.35Å
505M89.7Confident90.8Very high41 Ų4136.5 Ų36.520%0.20218%0.18CC..Hα-helixtrans-65.1-46.1176174.351.6-160.300110.9F493 L507 F508 A509 C555F493-M505 HydrophobicContact CD1-CB 3.86Å; F493-M505 HydrophobicContact CD1-CG 4.05Å; F493-M505 HydrophobicContact CE1-CB 3.94Å; F493-M505 HydrophobicContact CE1-CG 3.63Å; F493-M505 HydrophobicContact CZ-CG 4.14Å; M505-L507 VanDerWaalsContact C-N 3.28Å; M505-L507 PolarHBondContact O-N 2.96Å; M505-F508 PolarHBondContact O-N 3.27Å; M505-A509 HydrophobicContact CE-CB 3.77Å; M505-A509 VanDerWaalsContact O-CB 3.25Å; M505-A509 WeakPolarHBondContact O-CB 3.48Å; M505-A509 PolarHBondContact O-N 3.08Å; M505-C555 HydrophobicContact CB-CB 4Å; M505-C555 HydrophobicContact CG-CB 4.4Å; M505-C555 HydrophobicContact SD-CB 3.94Å
506E91.2Very high91.2Very high93 Ų9338.5 Ų38.544%0.43519%0.191SC..Hα-helixtrans-58.8-43.6177.6-66.181.6171.200110.1D503 F510D503-E506 WeakPolarHBondContact CA-OE2 3.46Å; E506-F510 VanDerWaalsContact O-CB 3.23Å; E506-F510 WeakPolarHBondContact O-CB 3.49Å; E506-F510 PolarHBondContact O-N 3.11Å
507L92.2Very high91.6Very high42 Ų4240.5 Ų40.522%0.2221%0.21CC..Hα-helixtrans-60.5-48.3175.8-176.364.4000112D503 T504 M505 A511 T711 I715D503-L507 PolarHBondContact O-N 3.14Å; T504-L507 PolarHBondContact O-N 2.82Å; M505-L507 VanDerWaalsContact C-N 3.28Å; M505-L507 PolarHBondContact O-N 2.96Å; L507-A511 WeakPolarHBondContact O-CB 3.07Å; L507-A511 PolarHBondContact O-N 3.31Å; L507-T711 HydrophobicContact CD2-CG2 3.79Å; L507-I715 HydrophobicContact CD1-CD1 4.3Å; L507-I715 HydrophobicContact CD2-CD1 4.27Å; L507-I715 HydrophobicContact CG-CD1 3.95Å
508F93.9Very high92Very high8 Ų841 Ų414%0.03521%0.213CC..Hα-helixtrans-71.3-36.7179.7-66.9-50.1000113.2T504 M505 A511 F512 F548 H551 T711 I715T504-F508 WeakPolarHBondContact O-CD2 3.38Å; T504-F508 WeakPolarHBondContact O-CG 3.28Å; T504-F508 PolarHBondContact O-N 3.29Å; M505-F508 PolarHBondContact O-N 3.27Å; F508-A511 PolarHBondContact O-N 3.1Å; F508-F512 WeakPolarHBondContact O-CB 3.31Å; F508-F512 PolarHBondContact O-N 2.78Å; F508-F548 HydrophobicContact CD1-CD1 4.03Å; F508-F548 HydrophobicContact CD1-CE1 4.36Å; F508-H551 HydrophobicContact CB-CB 4.5Å; F508-H551 HydrophobicContact CD1-CB 4.13Å; F508-H551 HydrophobicContact CD2-CB 3.96Å; F508-H551 HydrophobicContact CE1-CB 4.31Å; F508-H551 HydrophobicContact CE2-CB 4.15Å; F508-H551 HydrophobicContact CG-CB 3.95Å; F508-H551 HydrophobicContact CZ-CB 4.32Å; F508-T711 HydrophobicContact CE1-CG2 3.93Å; F508-T711 HydrophobicContact CZ-CG2 4.27Å; F508-I715 HydrophobicContact CD1-CD1 4.39Å
509A93.2Very high92.4Very high28 Ų2841.2 Ų41.223%0.23122%0.215CC..Hα-helixtrans-66.1-43.3176.300000111.4M505 F512 L513M505-A509 HydrophobicContact CE-CB 3.77Å; M505-A509 VanDerWaalsContact O-CB 3.25Å; M505-A509 WeakPolarHBondContact O-CB 3.48Å; M505-A509 PolarHBondContact O-N 3.08Å; A509-F512 WeakPolarHBondContact O-CB 3.47Å; A509-F512 PolarHBondContact O-N 3.36Å; A509-L513 WeakPolarHBondContact O-CG 3.49Å; A509-L513 PolarHBondContact O-N 2.97Å
510F94.4Very high92.7Very high129 Ų12945.7 Ų45.757%0.56624%0.235SC*.Hα-helixtrans-62.3-44.9174.4-175.8-107.6000111.3E506 F512 L513 L514E506-F510 VanDerWaalsContact O-CB 3.23Å; E506-F510 WeakPolarHBondContact O-CB 3.49Å; E506-F510 PolarHBondContact O-N 3.11Å; F510-F512 PolarHBondContact O-N 3.45Å; F510-L513 PolarHBondContact O-N 2.87Å; F510-L514 HydrophobicContact CD1-CD1 3.86Å; F510-L514 HydrophobicContact CD1-CG 4.37Å; F510-L514 HydrophobicContact CE1-CD1 3.37Å; F510-L514 HydrophobicContact CE1-CG 4.05Å; F510-L514 HydrophobicContact CZ-CD1 3.82Å; F510-L514 HydrophobicContact CZ-CD2 4.26Å; F510-L514 HydrophobicContact CZ-CG 4.12Å; F510-L514 WeakPolarHBondContact O-CG 3.18Å; F510-L514 PolarHBondContact O-N 3.4Å
511A95.2Very high93.2Very high0 Ų047.1 Ų47.10%025%0.247CC..Hα-helixtrans-60.8-42.9174.900000112.3L507 F508 L513 L514 F515 F548 I715L507-A511 WeakPolarHBondContact O-CB 3.07Å; L507-A511 PolarHBondContact O-N 3.31Å; F508-A511 PolarHBondContact O-N 3.1Å; A511-L513 PolarHBondContact O-N 2.76Å; A511-L514 PolarHBondContact O-N 3.24Å; A511-F515 VanDerWaalsContact O-CD2 3.31Å; A511-F515 WeakPolarHBondContact O-CD2 3.18Å; A511-F515 PolarHBondContact O-N 3.24Å; A511-F548 HydrophobicContact CB-CD1 3.82Å; A511-F548 HydrophobicContact CB-CD2 4.14Å; A511-F548 HydrophobicContact CB-CE1 3.68Å; A511-F548 HydrophobicContact CB-CE2 4.02Å; A511-F548 HydrophobicContact CB-CG 4.06Å; A511-F548 HydrophobicContact CB-CZ 3.78Å; A511-I715 HydrophobicContact CB-CD1 4.05Å; A511-I715 HydrophobicContact CB-CG2 3.63Å
512F96.6Very high93.5Very high47 Ų4745.1 Ų45.121%0.20624%0.239CC..Hα-helixtrans-55.9-49.9175.1169-99.4000111.3F508 A509 F510 L514 F515 L516 V545 F548 L549F508-F512 WeakPolarHBondContact O-CB 3.31Å; F508-F512 PolarHBondContact O-N 2.78Å; A509-F512 WeakPolarHBondContact O-CB 3.47Å; A509-F512 PolarHBondContact O-N 3.36Å; F510-F512 PolarHBondContact O-N 3.45Å; F512-L514 PolarHBondContact O-N 3.43Å; F512-F515 PolarHBondContact O-N 2.87Å; F512-L516 HydrophobicContact CE1-CD2 3.97Å; F512-L516 HydrophobicContact CZ-CD2 3.96Å; F512-L516 WeakPolarHBondContact O-CB 3.45Å; F512-L516 PolarHBondContact O-N 3.42Å; F512-V545 HydrophobicContact CD2-CG1 3.93Å; F512-V545 HydrophobicContact CE2-CG1 3.57Å; F512-F548 HydrophobicContact CB-CB 3.88Å; F512-L549 HydrophobicContact CD2-CB 4.17Å; F512-L549 HydrophobicContact CE2-CB 4.07Å; F512-L549 HydrophobicContact CE2-CD1 4.14Å; F512-L549 HydrophobicContact CZ-CD1 4.43Å
513L96.4Very high93.7Very high109 Ų10947.1 Ų47.157%0.57125%0.25SS*.Hα-helixtrans-62.1-44.1179.7-68.7173.6000112.3A509 F510 A511 L516 A517A509-L513 WeakPolarHBondContact O-CG 3.49Å; A509-L513 PolarHBondContact O-N 2.97Å; F510-L513 PolarHBondContact O-N 2.87Å; A511-L513 PolarHBondContact O-N 2.76Å; L513-L516 PolarHBondContact O-N 3.35Å; L513-A517 PolarHBondContact O-N 3.05Å
514L96.4Very high93.8Very high47 Ų4746.6 Ų46.625%0.24624%0.244CC..Hα-helixtrans-61.6-48.8178.1-75.7-175.1000112.4F510 A511 F512 L516 A517 L518 F719F510-L514 HydrophobicContact CD1-CD1 3.86Å; F510-L514 HydrophobicContact CD1-CG 4.37Å; F510-L514 HydrophobicContact CE1-CD1 3.37Å; F510-L514 HydrophobicContact CE1-CG 4.05Å; F510-L514 HydrophobicContact CZ-CD1 3.82Å; F510-L514 HydrophobicContact CZ-CD2 4.26Å; F510-L514 HydrophobicContact CZ-CG 4.12Å; F510-L514 WeakPolarHBondContact O-CG 3.18Å; F510-L514 PolarHBondContact O-N 3.4Å; A511-L514 PolarHBondContact O-N 3.24Å; F512-L514 PolarHBondContact O-N 3.43Å; L514-L516 VanDerWaalsContact C-N 3.33Å; L514-A517 PolarHBondContact O-N 2.85Å; L514-L518 PolarHBondContact O-N 3.17Å; L514-L518 VanDerWaalsContact O-N 3.15Å; L514-F719 HydrophobicContact CB-CD2 3.88Å; L514-F719 HydrophobicContact CB-CE2 3.65Å; L514-F719 HydrophobicContact CB-CZ 4.39Å; L514-F719 HydrophobicContact CD1-CD2 4.22Å; L514-F719 HydrophobicContact CD1-CE2 4.19Å; L514-F719 HydrophobicContact CD1-CG 4.4Å; L514-F719 HydrophobicContact CD1-CZ 4.34Å; L514-F719 HydrophobicContact CD2-CE2 4.16Å; L514-F719 HydrophobicContact CD2-CZ 4.07Å; L514-F719 HydrophobicContact CG-CE2 4.23Å
515F97Very high93.7Very high0 Ų046.5 Ų46.50%024%0.244CC..Hα-helixtrans-71.4-30.1179.9-83.7-101.6000112.3A511 F512 L518 A519 L541 R544 V545 F548 D718 F719 Y722A511-F515 VanDerWaalsContact O-CD2 3.31Å; A511-F515 WeakPolarHBondContact O-CD2 3.18Å; A511-F515 PolarHBondContact O-N 3.24Å; F512-F515 PolarHBondContact O-N 2.87Å; F515-L518 PolarHBondContact O-N 3.16Å; F515-A519 WeakPolarHBondContact O-CB 3.32Å; F515-A519 PolarHBondContact O-N 3.47Å; F515-L541 HydrophobicContact CD1-CD2 4Å; F515-R544 HydrophobicContact CD1-CB 3.68Å; F515-R544 HydrophobicContact CD1-CG 4.2Å; F515-R544 HydrophobicContact CE1-CB 4.01Å; F515-R544 HydrophobicContact CE1-CG 4.05Å; F515-R544 HydrophobicContact CG-CB 4.45Å; F515-V545 HydrophobicContact CB-CG2 3.88Å; F515-F548 HydrophobicContact CB-CD2 4.36Å; F515-F548 HydrophobicContact CB-CE2 4.39Å; F515-F548 HydrophobicContact CD1-CE2 4.29Å; F515-F548 HydrophobicContact CD2-CD2 4.19Å; F515-F548 AromaticContact CD2-CE2 3.5Å; F515-F548 HydrophobicContact CD2-CE2 3.5Å; F515-F548 VanDerWaalsContact CD2-CE2 3.5Å; F515-F548 HydrophobicContact CD2-CZ 4.33Å; F515-F548 HydrophobicContact CE1-CE2 4.46Å; F515-F548 AromaticContact CE2-CE2 3.7Å; F515-F548 HydrophobicContact CE2-CE2 3.7Å; F515-F548 HydrophobicContact CE2-CZ 4.14Å; F515-F548 HydrophobicContact CG-CD2 4.26Å; F515-F548 AromaticContact CG-CE2 3.8Å; F515-F548 HydrophobicContact CG-CE2 3.8Å; F515-F548 HydrophobicContact CZ-CE2 4.19Å; F515-D718 HydrophobicContact CZ-CB 4.12Å; F515-F719 HydrophobicContact CD2-CD2 4.26Å; F515-F719 HydrophobicContact CE2-CB 3.83Å; F515-F719 HydrophobicContact CE2-CD2 4.12Å; F515-F719 HydrophobicContact CE2-CG 4.48Å; F515-F719 HydrophobicContact CZ-CB 4.09Å; F515-Y722 AromaticContact CE1-CD2 3.56Å; F515-Y722 HydrophobicContact CE1-CD2 3.56Å; F515-Y722 AromaticContact CE1-CE2 3.99Å; F515-Y722 HydrophobicContact CE1-CE2 3.99Å; F515-Y722 HydrophobicContact CE1-CG 4.07Å; F515-Y722 HydrophobicContact CZ-CD2 4.19Å
516L97Very high93.6Very high49 Ų4945.1 Ų45.126%0.25724%0.238SC..Hα-helixtrans-65-43.1173-177.564.9000111F512 L513 L514 L518 A519 F520 V545F512-L516 HydrophobicContact CE1-CD2 3.97Å; F512-L516 HydrophobicContact CZ-CD2 3.96Å; F512-L516 WeakPolarHBondContact O-CB 3.45Å; F512-L516 PolarHBondContact O-N 3.42Å; L513-L516 PolarHBondContact O-N 3.35Å; L514-L516 VanDerWaalsContact C-N 3.33Å; L516-L518 PolarHBondContact O-N 3.16Å; L516-A519 PolarHBondContact O-N 2.88Å; L516-F520 HydrophobicContact CD1-CD2 4.1Å; L516-F520 HydrophobicContact CD1-CE2 3.63Å; L516-F520 HydrophobicContact CD1-CZ 4.35Å; L516-F520 HydrophobicContact CD2-CE2 4.14Å; L516-F520 HydrophobicContact CG-CD2 3.93Å; L516-F520 HydrophobicContact CG-CE2 3.64Å; L516-F520 VanDerWaalsContact O-CD2 3.24Å; L516-F520 WeakPolarHBondContact O-CD2 3.34Å; L516-F520 PolarHBondContact O-N 2.77Å; L516-V545 HydrophobicContact CB-CG2 4.42Å; L516-V545 HydrophobicContact CD1-CG1 4.12Å
517A96.6Very high93.3Very high60 Ų6050 Ų5050%0.49625%0.253SS..Hα-helixtrans-60.5-43.6174.300000112L513 L514 F520 A521L513-A517 PolarHBondContact O-N 3.05Å; L514-A517 PolarHBondContact O-N 2.85Å; A517-F520 PolarHBondContact O-N 3.22Å; A517-A521 WeakPolarHBondContact O-CB 3.38Å; A517-A521 PolarHBondContact O-N 3.09Å
518L96Very high92.8Very high20 Ų2053.6 Ų53.611%0.10527%0.267CS..Hα-helixtrans-62.9-40.8173.7-71-179.5000112.5L514 F515 L516 A521 Q522 L541 F719 V726L514-L518 PolarHBondContact O-N 3.17Å; L514-L518 VanDerWaalsContact O-N 3.15Å; F515-L518 PolarHBondContact O-N 3.16Å; L516-L518 PolarHBondContact O-N 3.16Å; L518-A521 PolarHBondContact O-N 3.35Å; L518-Q522 VanDerWaalsContact O-CB 3.32Å; L518-Q522 WeakPolarHBondContact O-CB 3.33Å; L518-Q522 PolarHBondContact O-N 3.25Å; L518-L541 HydrophobicContact CB-CD1 4.44Å; L518-L541 HydrophobicContact CB-CD2 3.96Å; L518-L541 HydrophobicContact CD1-CD2 4.38Å; L518-F719 HydrophobicContact CD1-CD2 3.61Å; L518-F719 HydrophobicContact CD1-CE2 3.5Å; L518-F719 VanDerWaalsContact CD1-CE2 3.5Å; L518-F719 HydrophobicContact CD1-CZ 4.47Å; L518-F719 HydrophobicContact CD2-CE2 4.45Å; L518-F719 HydrophobicContact CG-CD2 4.44Å; L518-F719 HydrophobicContact CG-CE2 3.86Å; L518-V726 HydrophobicContact CD2-CG2 4.42Å
519A95.6Very high91.5Very high10 Ų1054.5 Ų54.58%0.08328%0.278CS..Hα-helixtrans-63-41.117700000111.7F515 L516 Q522 L523 L538 L541 V545F515-A519 WeakPolarHBondContact O-CB 3.32Å; F515-A519 PolarHBondContact O-N 3.47Å; L516-A519 PolarHBondContact O-N 2.88Å; A519-Q522 PolarHBondContact O-N 2.72Å; A519-L523 VanDerWaalsContact O-CB 3.27Å; A519-L523 WeakPolarHBondContact O-CB 3.44Å; A519-L523 PolarHBondContact O-N 2.71Å; A519-L538 WeakPolarHBondContact O-CD1 3.35Å; A519-L541 HydrophobicContact CB-CB 4.18Å; A519-V545 HydrophobicContact CB-CG2 4.27Å
520F95Very high89.8Confident129 Ų12962.2 Ų62.257%0.56631%0.31SS*.Hα-helixtrans-65.5-43.6173.8-80.8-61.6000112.6L516 A517 Q522 L523 H524L516-F520 HydrophobicContact CD1-CD2 4.1Å; L516-F520 HydrophobicContact CD1-CE2 3.63Å; L516-F520 HydrophobicContact CD1-CZ 4.35Å; L516-F520 HydrophobicContact CD2-CE2 4.14Å; L516-F520 HydrophobicContact CG-CD2 3.93Å; L516-F520 HydrophobicContact CG-CE2 3.64Å; L516-F520 VanDerWaalsContact O-CD2 3.24Å; L516-F520 WeakPolarHBondContact O-CD2 3.34Å; L516-F520 PolarHBondContact O-N 2.77Å; A517-F520 PolarHBondContact O-N 3.22Å; F520-Q522 VanDerWaalsContact C-N 3.32Å; F520-Q522 PolarHBondContact O-N 2.71Å; F520-L523 PolarHBondContact O-N 3.07Å; F520-H524 PolarHBondContact O-N 3.44Å
521A92.8Very high88.6Confident30 Ų3058.5 Ų58.525%0.24829%0.293CS..Hα-helixtrans-59.5-44.7174.700000111.2A517 L518 H524 S525 V726 W730A517-A521 WeakPolarHBondContact O-CB 3.38Å; A517-A521 PolarHBondContact O-N 3.09Å; L518-A521 PolarHBondContact O-N 3.35Å; A521-H524 WeakPolarHBondContact O-CB 3.23Å; A521-H524 PolarHBondContact O-N 2.97Å; A521-S525 PolarHBondContact O-N 3.47Å; A521-V726 HydrophobicContact CB-CG1 4.07Å; A521-W730 HydrophobicContact CB-CZ3 4.1Å; A521-W730 WeakPolarHBondContact O-CZ3 3.44Å
522Q92.6Very high87.7Confident0 Ų065.4 Ų65.40%033%0.327CS..Hα-helixtrans-68-38.3178.1-171.661.317.200112.4L518 A519 F520 H524 S525 C526 S534 L537 L538 L541 V726L518-Q522 VanDerWaalsContact O-CB 3.32Å; L518-Q522 WeakPolarHBondContact O-CB 3.33Å; L518-Q522 PolarHBondContact O-N 3.25Å; A519-Q522 PolarHBondContact O-N 2.72Å; F520-Q522 VanDerWaalsContact C-N 3.32Å; F520-Q522 PolarHBondContact O-N 2.71Å; Q522-H524 VanDerWaalsContact C-N 3.32Å; Q522-H524 PolarHBondContact O-N 3.28Å; Q522-S525 WeakPolarHBondContact O-CB 3.37Å; Q522-S525 PolarHBondContact O-N 3.23Å; Q522-S525 VanDerWaalsContact O-N 3.17Å; Q522-C526 PolarHBondContact O-N 2.87Å; Q522-C526 PolarHBondContact O-SG 3.49Å; Q522-C526 VanDerWaalsContact O-SG 3.35Å; Q522-S534 VanDerWaalsContact NE2-CA 3.27Å; Q522-S534 PolarHBondContact NE2-O 3.33Å; Q522-S534 VanDerWaalsContact NE2-O 3.09Å; Q522-L537 HydrophobicContact CG-CD2 4.47Å; Q522-L537 HydrophobicContact CG-CG 4.43Å; Q522-L538 HydrophobicContact CB-CD1 4.25Å; Q522-L538 HydrophobicContact CG-CB 4Å; Q522-L538 HydrophobicContact CG-CD1 4.35Å; Q522-L541 HydrophobicContact CB-CD1 3.7Å; Q522-L541 HydrophobicContact CG-CD1 3.98Å; Q522-V726 HydrophobicContact CB-CG2 4.17Å
523L91.8Very high86.8Confident54 Ų5463.5 Ų63.528%0.28332%0.319SS..Hα-helixtrans-60.8-41.8174177.664.2000111.3A519 F520 S525 C526 R527 L538A519-L523 VanDerWaalsContact O-CB 3.27Å; A519-L523 WeakPolarHBondContact O-CB 3.44Å; A519-L523 PolarHBondContact O-N 2.71Å; F520-L523 PolarHBondContact O-N 3.07Å; L523-S525 VanDerWaalsContact C-N 3.34Å; L523-C526 WeakPolarHBondContact O-CB 3.44Å; L523-C526 PolarHBondContact O-N 2.93Å; L523-R527 WeakPolarHBondContact O-CG 3.49Å; L523-R527 PolarHBondContact O-N 3.38Å; L523-L538 HydrophobicContact CB-CD1 4.15Å; L523-L538 HydrophobicContact CB-CD2 4.35Å; L523-L538 HydrophobicContact CD1-CD2 3.83Å
524H89.2Confident86.2Confident79 Ų7958.4 Ų58.437%0.36629%0.293SS..Hα-helixtrans-62.6-42173.5-173.769.4000111.9F520 A521 Q522 C526 R527 K528 W730F520-H524 PolarHBondContact O-N 3.44Å; A521-H524 WeakPolarHBondContact O-CB 3.23Å; A521-H524 PolarHBondContact O-N 2.97Å; Q522-H524 VanDerWaalsContact C-N 3.32Å; Q522-H524 PolarHBondContact O-N 3.28Å; H524-C526 VanDerWaalsContact C-N 3.33Å; H524-C526 PolarHBondContact O-N 3.21Å; H524-R527 PolarHBondContact O-N 3.22Å; H524-K528 VanDerWaalsContact NE2-CE 3.3Å; H524-K528 WeakPolarHBondContact NE2-CE 3.49Å; H524-K528 PolarHBondContact O-N 2.99Å; H524-W730 AromaticContact CD2-CH2 3.69Å
525S85.7Confident85.8Confident1 Ų160.5 Ų60.51%0.00730%0.304CS..Hα-helixtrans-60-41.6173.7-172.60000112.3A521 Q522 L523 K528 G529 F729 P731A521-S525 PolarHBondContact O-N 3.47Å; Q522-S525 WeakPolarHBondContact O-CB 3.37Å; Q522-S525 PolarHBondContact O-N 3.23Å; Q522-S525 VanDerWaalsContact O-N 3.17Å; L523-S525 VanDerWaalsContact C-N 3.34Å; S525-K528 PolarHBondContact O-N 2.82Å; S525-G529 PolarHBondContact O-N 3.17Å; S525-F729 PolarHBondContact OG-O 3.42Å; S525-P731 WeakPolarHBondContact OG-CD 3.43Å
526C86.5Confident85.4Confident13 Ų1363.4 Ų63.49%0.08832%0.321CS..Hα-helixtrans-63.3-40176.4-72.10000112.5Q522 L523 H524 K528 G529 S534 L535Q522-C526 PolarHBondContact O-N 2.87Å; Q522-C526 PolarHBondContact O-SG 3.49Å; Q522-C526 VanDerWaalsContact O-SG 3.35Å; L523-C526 WeakPolarHBondContact O-CB 3.44Å; L523-C526 PolarHBondContact O-N 2.93Å; H524-C526 VanDerWaalsContact C-N 3.33Å; H524-C526 PolarHBondContact O-N 3.21Å; C526-K528 VanDerWaalsContact C-N 3.31Å; C526-K528 PolarHBondContact O-N 3.05Å; C526-G529 CarbonylContact O-C 3.06Å; C526-G529 PolarHBondContact O-N 2.88Å; C526-S534 VanDerWaalsContact SG-CB 3.52Å; C526-S534 PolarHBondContact SG-O 3.07Å; C526-S534 VanDerWaalsContact SG-O 3.35Å; C526-L535 HydrophobicContact CB-CD2 4.2Å
527R86Confident85.1Confident194 Ų19461 Ų6173%0.73231%0.309SS*.Hα-helixtrans-67-29.8179-73.8178.3178.4167.5-0.5113.4L523 H524L523-R527 WeakPolarHBondContact O-CG 3.49Å; L523-R527 PolarHBondContact O-N 3.38Å; H524-R527 PolarHBondContact O-N 3.22Å
528K80.2Confident85Confident119 Ų11959.3 Ų59.352%0.51729%0.291SS..Hα-helixtrans-87-19.1-179.9-76.6-171.4170.3-1720114.1H524 S525 C526 P731H524-K528 VanDerWaalsContact NE2-CE 3.3Å; H524-K528 WeakPolarHBondContact NE2-CE 3.49Å; H524-K528 PolarHBondContact O-N 2.99Å; S525-K528 PolarHBondContact O-N 2.82Å; C526-K528 VanDerWaalsContact C-N 3.31Å; C526-K528 PolarHBondContact O-N 3.05Å; K528-P731 HydrophobicContact CB-CB 4.03Å; K528-P731 HydrophobicContact CB-CG 3.67Å; K528-P731 HydrophobicContact CD-CB 4.42Å; K528-P731 HydrophobicContact CD-CG 4.13Å
529G67.8Low84.9Confident27 Ų2760.5 Ų60.528%0.27830%0.304SS..SBendtrans-158.9109.1-177.700000111.2S525 C526 K531S525-G529 PolarHBondContact O-N 3.17Å; C526-G529 CarbonylContact O-C 3.06Å; C526-G529 PolarHBondContact O-N 2.88Å; G529-K531 PolarHBondContact O-N 3.26Å
530E56.7Low84.9Confident190 Ų19061.2 Ų61.289%0.88831%0.305SS*.  trans-72.689.2-178.1-67.5-170.7164.700111.4
531K69.4Low84.9Confident51 Ų5155 Ų5522%0.22228%0.278CS..  trans-117.9122.8170.2-63.8177.8178.9172.30108.3G529 V533 S534 L535 F740G529-K531 PolarHBondContact O-N 3.26Å; K531-V533 PolarHBondContact O-N 3.15Å; K531-S534 WeakPolarHBondContact O-CB 3.35Å; K531-S534 PolarHBondContact O-N 3.31Å; K531-L535 PolarHBondContact O-N 3.04Å; K531-F740 HydrophobicContact CD-CD1 4.24Å; K531-F740 HydrophobicContact CD-CD2 4.49Å; K531-F740 HydrophobicContact CD-CE1 3.59Å; K531-F740 HydrophobicContact CD-CE2 3.87Å; K531-F740 HydrophobicContact CD-CZ 3.39Å
532M76.1Confident85.1Confident144 Ų14456.7 Ų56.771%0.70929%0.285SS*.Hα-helixtrans-48.7-34.9176.8-77.4-68.3-169.600112.6L535 V536M532-L535 WeakPolarHBondContact O-CB 3.3Å; M532-L535 PolarHBondContact O-N 3.39Å; M532-L535 HydrophobicContact SD-CD1 4.4Å; M532-V536 WeakPolarHBondContact O-CG2 3.42Å; M532-V536 PolarHBondContact O-N 2.9Å
533V78.2Confident85.3Confident8 Ų858.8 Ų58.85%0.04830%0.295CS..Hα-helixtrans-60.2-45176.7177.50000112.4K531 L535 V536 L537 L586 I598 F729K531-V533 PolarHBondContact O-N 3.15Å; V533-L535 VanDerWaalsContact C-N 3.28Å; V533-L535 PolarHBondContact O-N 3.23Å; V533-V536 PolarHBondContact O-N 3.18Å; V533-L537 PolarHBondContact O-N 3.44Å; V533-L586 HydrophobicContact CG1-CD1 4.2Å; V533-I598 HydrophobicContact CB-CD1 4.44Å; V533-I598 HydrophobicContact CG1-CD1 4.39Å; V533-I598 HydrophobicContact CG2-CB 3.8Å; V533-I598 HydrophobicContact CG2-CD1 3.25Å; V533-I598 HydrophobicContact CG2-CG1 4.06Å; V533-I598 HydrophobicContact CG2-CG2 3.62Å; V533-F729 HydrophobicContact CG1-CD1 4.13Å; V533-F729 HydrophobicContact CG1-CD2 4.32Å; V533-F729 HydrophobicContact CG1-CE1 3.52Å; V533-F729 HydrophobicContact CG1-CE2 3.73Å; V533-F729 HydrophobicContact CG1-CZ 3.3Å
534S84.4Confident85.5Confident2 Ų256.7 Ų56.71%0.01428%0.284CS..Hα-helixtrans-65.7-36.2179.5-57.90000111Q522 C526 K531 L538Q522-S534 VanDerWaalsContact NE2-CA 3.27Å; Q522-S534 PolarHBondContact NE2-O 3.33Å; Q522-S534 VanDerWaalsContact NE2-O 3.09Å; C526-S534 VanDerWaalsContact SG-CB 3.52Å; C526-S534 PolarHBondContact SG-O 3.07Å; C526-S534 VanDerWaalsContact SG-O 3.35Å; K531-S534 WeakPolarHBondContact O-CB 3.35Å; K531-S534 PolarHBondContact O-N 3.31Å; S534-L538 WeakPolarHBondContact O-CB 3.22Å; S534-L538 PolarHBondContact O-N 3.29Å
535L87.2Confident85.8Confident90 Ų9053.7 Ų53.747%0.47127%0.271SS..Hα-helixtrans-67.8-40.7174.7-68.1171.1000112.2C526 K531 M532 V533 L538 A539C526-L535 HydrophobicContact CB-CD2 4.2Å; K531-L535 PolarHBondContact O-N 3.04Å; M532-L535 WeakPolarHBondContact O-CB 3.3Å; M532-L535 PolarHBondContact O-N 3.39Å; M532-L535 HydrophobicContact SD-CD1 4.4Å; V533-L535 VanDerWaalsContact C-N 3.28Å; V533-L535 PolarHBondContact O-N 3.23Å; L535-L538 WeakPolarHBondContact O-CB 3.27Å; L535-L538 PolarHBondContact O-N 3.27Å; L535-A539 PolarHBondContact O-N 3.29Å
536V88.8Confident86.4Confident61 Ų6157.4 Ų57.437%0.3729%0.29SS..Hα-helixtrans-64.1-44.3175.7170.60000110.9M532 V533 L538 A539 F540 L586M532-V536 WeakPolarHBondContact O-CG2 3.42Å; M532-V536 PolarHBondContact O-N 2.9Å; V533-V536 PolarHBondContact O-N 3.18Å; V536-L538 VanDerWaalsContact C-N 3.33Å; V536-L538 PolarHBondContact O-N 3.21Å; V536-A539 WeakPolarHBondContact O-CB 3.34Å; V536-A539 PolarHBondContact O-N 3.14Å; V536-F540 HydrophobicContact CG1-CD2 4.09Å; V536-F540 HydrophobicContact CG1-CE2 3.31Å; V536-F540 HydrophobicContact CG1-CZ 3.61Å; V536-F540 WeakPolarHBondContact O-CD2 3.42Å; V536-F540 PolarHBondContact O-N 3.34Å; V536-F540 VanDerWaalsContact O-N 3.16Å; V536-L586 HydrophobicContact CG1-CD1 4.15Å; V536-L586 HydrophobicContact CG1-CD2 4.48Å
537L91.4Very high86.8Confident0 Ų057 Ų570%029%0.287CS..Hα-helixtrans-62.2-41.5174.9-177.561.2000111.9Q522 V533 A539 F540 L541 L583 L586 Y722 L725 V726 F729Q522-L537 HydrophobicContact CG-CD2 4.47Å; Q522-L537 HydrophobicContact CG-CG 4.43Å; V533-L537 PolarHBondContact O-N 3.44Å; L537-A539 VanDerWaalsContact C-N 3.31Å; L537-A539 PolarHBondContact O-N 2.85Å; L537-F540 PolarHBondContact O-N 3.44Å; L537-L541 HydrophobicContact CG-CD1 4.31Å; L537-L541 PolarHBondContact O-N 2.99Å; L537-L583 HydrophobicContact CD1-CD1 3.88Å; L537-L586 HydrophobicContact CB-CD2 4.04Å; L537-L586 HydrophobicContact CD1-CD2 4.09Å; L537-Y722 HydrophobicContact CD1-CD1 3.81Å; L537-Y722 HydrophobicContact CD1-CE1 3.96Å; L537-L725 HydrophobicContact CD1-CB 4.34Å; L537-L725 HydrophobicContact CD1-CD1 4.23Å; L537-L725 HydrophobicContact CD2-CB 3.73Å; L537-V726 HydrophobicContact CD2-CG2 4.17Å; L537-F729 HydrophobicContact CD2-CD2 3.67Å; L537-F729 HydrophobicContact CD2-CE2 4.07Å
538L93.9Very high87.2Confident24 Ų2448.3 Ų48.313%0.12626%0.255CS..Hα-helixtrans-59.5-42.3174.7-179.863000111.3A519 Q522 L523 S534 L535 V536 F540 L541 V542A519-L538 WeakPolarHBondContact O-CD1 3.35Å; Q522-L538 HydrophobicContact CB-CD1 4.25Å; Q522-L538 HydrophobicContact CG-CB 4Å; Q522-L538 HydrophobicContact CG-CD1 4.35Å; L523-L538 HydrophobicContact CB-CD1 4.15Å; L523-L538 HydrophobicContact CB-CD2 4.35Å; L523-L538 HydrophobicContact CD1-CD2 3.83Å; S534-L538 WeakPolarHBondContact O-CB 3.22Å; S534-L538 PolarHBondContact O-N 3.29Å; L535-L538 WeakPolarHBondContact O-CB 3.27Å; L535-L538 PolarHBondContact O-N 3.27Å; V536-L538 VanDerWaalsContact C-N 3.33Å; V536-L538 PolarHBondContact O-N 3.21Å; L538-F540 VanDerWaalsContact C-N 3.35Å; L538-F540 PolarHBondContact O-N 2.96Å; L538-L541 PolarHBondContact O-N 3.25Å; L538-V542 HydrophobicContact CD1-CG2 4.29Å; L538-V542 HydrophobicContact CG-CG2 4.42Å; L538-V542 VanDerWaalsContact O-CG2 3.27Å; L538-V542 WeakPolarHBondContact O-CG2 3.47Å; L538-V542 PolarHBondContact O-N 3.29Å
539A94Very high88Confident44 Ų4446.6 Ų46.636%0.36425%0.251SS..Hα-helixtrans-60.1-43177.100000112.1L535 V536 L537 V542 M543L535-A539 PolarHBondContact O-N 3.29Å; V536-A539 WeakPolarHBondContact O-CB 3.34Å; V536-A539 PolarHBondContact O-N 3.14Å; L537-A539 VanDerWaalsContact C-N 3.31Å; L537-A539 PolarHBondContact O-N 2.85Å; A539-V542 PolarHBondContact O-N 2.97Å; A539-M543 HydrophobicContact CB-CE 4.23Å; A539-M543 WeakPolarHBondContact O-CE 3.38Å; A539-M543 WeakPolarHBondContact O-CG 3.25Å; A539-M543 PolarHBondContact O-N 3.25Å
540F94.9Very high89.2Confident25 Ų2547.6 Ų47.611%0.1125%0.25CS..Hα-helixtrans-67.4-40.2176.5-58.8-39.8000112.7V536 L537 L538 V542 M543 R544 A579 G582 L586 Y722V536-F540 HydrophobicContact CG1-CD2 4.09Å; V536-F540 HydrophobicContact CG1-CE2 3.31Å; V536-F540 HydrophobicContact CG1-CZ 3.61Å; V536-F540 WeakPolarHBondContact O-CD2 3.42Å; V536-F540 PolarHBondContact O-N 3.34Å; V536-F540 VanDerWaalsContact O-N 3.16Å; L537-F540 PolarHBondContact O-N 3.44Å; L538-F540 VanDerWaalsContact C-N 3.35Å; L538-F540 PolarHBondContact O-N 2.96Å; F540-V542 VanDerWaalsContact C-N 3.34Å; F540-V542 PolarHBondContact O-N 3.4Å; F540-M543 HydrophobicContact CD1-CE 3.47Å; F540-M543 VanDerWaalsContact CD1-CE 3.47Å; F540-M543 HydrophobicContact CD1-SD 4.4Å; F540-M543 HydrophobicContact CE1-CE 3.89Å; F540-M543 WeakPolarHBondContact O-CB 3.2Å; F540-M543 PolarHBondContact O-N 2.7Å; F540-R544 WeakPolarHBondContact O-CG 3.26Å; F540-R544 PolarHBondContact O-N 2.91Å; F540-A579 HydrophobicContact CB-CB 4.27Å; F540-G582 VanDerWaalsContact CE2-O 3.29Å; F540-G582 WeakPolarHBondContact CE2-O 3.24Å; F540-L586 HydrophobicContact CD2-CD2 4.35Å; F540-L586 HydrophobicContact CE2-CB 4.15Å; F540-L586 HydrophobicContact CE2-CD2 4.3Å; F540-Y722 HydrophobicContact CB-CE1 4.02Å
541L95.8Very high90.9Very high0 Ų039.5 Ų39.50%021%0.212CC..Hα-helixtrans-59.9-44172.5-78.9167.9000111.6F515 L518 A519 Q522 L537 L538 M543 R544 V545 Y722 V726F515-L541 HydrophobicContact CD1-CD2 4Å; L518-L541 HydrophobicContact CB-CD1 4.44Å; L518-L541 HydrophobicContact CB-CD2 3.96Å; L518-L541 HydrophobicContact CD1-CD2 4.38Å; A519-L541 HydrophobicContact CB-CB 4.18Å; Q522-L541 HydrophobicContact CB-CD1 3.7Å; Q522-L541 HydrophobicContact CG-CD1 3.98Å; L537-L541 HydrophobicContact CG-CD1 4.31Å; L537-L541 PolarHBondContact O-N 2.99Å; L538-L541 PolarHBondContact O-N 3.25Å; L541-M543 PolarHBondContact O-N 3.39Å; L541-R544 WeakPolarHBondContact O-CB 3.36Å; L541-R544 PolarHBondContact O-N 3.08Å; L541-V545 WeakPolarHBondContact O-CG2 3.28Å; L541-V545 PolarHBondContact O-N 3.47Å; L541-Y722 HydrophobicContact CD2-CD1 3.4Å; L541-Y722 HydrophobicContact CD2-CE1 4.03Å; L541-Y722 HydrophobicContact CD2-CG 3.82Å; L541-Y722 HydrophobicContact CG-CD1 3.7Å; L541-Y722 HydrophobicContact CG-CE1 4.05Å; L541-V726 HydrophobicContact CD1-CG2 3.82Å
542V96.5Very high92Very high65 Ų6537.6 Ų37.639%0.39421%0.205SC..Hα-helixtrans-62.2-42.5176.2170.50000111L538 A539 F540 R544 V545 L546L538-V542 HydrophobicContact CD1-CG2 4.29Å; L538-V542 HydrophobicContact CG-CG2 4.42Å; L538-V542 VanDerWaalsContact O-CG2 3.27Å; L538-V542 WeakPolarHBondContact O-CG2 3.47Å; L538-V542 PolarHBondContact O-N 3.29Å; A539-V542 PolarHBondContact O-N 2.97Å; F540-V542 VanDerWaalsContact C-N 3.34Å; F540-V542 PolarHBondContact O-N 3.4Å; V542-R544 VanDerWaalsContact C-N 3.32Å; V542-R544 PolarHBondContact O-N 3.49Å; V542-V545 PolarHBondContact O-N 3.44Å; V542-L546 HydrophobicContact CG1-CD1 3.98Å; V542-L546 HydrophobicContact CG1-CG 4.31Å; V542-L546 WeakPolarHBondContact O-CB 3.36Å; V542-L546 VanDerWaalsContact O-CG 3.3Å; V542-L546 WeakPolarHBondContact O-CG 3.45Å; V542-L546 PolarHBondContact O-N 3.44Å
543M96.3Very high92.8Very high43 Ų4335.2 Ų35.221%0.21219%0.191CC..Hα-helixtrans-59-42.1173.8-73-179.5-117.900112A539 F540 L541 L546 G547 L575 T578 A579A539-M543 HydrophobicContact CB-CE 4.23Å; A539-M543 WeakPolarHBondContact O-CE 3.38Å; A539-M543 WeakPolarHBondContact O-CG 3.25Å; A539-M543 PolarHBondContact O-N 3.25Å; F540-M543 HydrophobicContact CD1-CE 3.47Å; F540-M543 VanDerWaalsContact CD1-CE 3.47Å; F540-M543 HydrophobicContact CD1-SD 4.4Å; F540-M543 HydrophobicContact CE1-CE 3.89Å; F540-M543 WeakPolarHBondContact O-CB 3.2Å; F540-M543 PolarHBondContact O-N 2.7Å; L541-M543 PolarHBondContact O-N 3.39Å; M543-L546 PolarHBondContact O-N 2.74Å; M543-G547 PolarHBondContact O-N 3.18Å; M543-L575 HydrophobicContact CB-CD2 4.36Å; M543-L575 HydrophobicContact CG-CD2 4.14Å; M543-T578 HydrophobicContact SD-CG2 4.13Å; M543-A579 HydrophobicContact CB-CB 3.98Å
544R95.6Very high93.4Very high11 Ų1136.6 Ų36.64%0.04220%0.196CC..Hα-helixtrans-63.8-45.4175.6-69.3-69.9-67.2-156.2-3.1112F515 F540 L541 V542 L546 G547 F548 A579 D580 D718 Y722F515-R544 HydrophobicContact CD1-CB 3.68Å; F515-R544 HydrophobicContact CD1-CG 4.2Å; F515-R544 HydrophobicContact CE1-CB 4.01Å; F515-R544 HydrophobicContact CE1-CG 4.05Å; F515-R544 HydrophobicContact CG-CB 4.45Å; F540-R544 WeakPolarHBondContact O-CG 3.26Å; F540-R544 PolarHBondContact O-N 2.91Å; L541-R544 WeakPolarHBondContact O-CB 3.36Å; L541-R544 PolarHBondContact O-N 3.08Å; V542-R544 VanDerWaalsContact C-N 3.32Å; V542-R544 PolarHBondContact O-N 3.49Å; R544-L546 PolarHBondContact O-N 3.4Å; R544-G547 PolarHBondContact O-N 3.22Å; R544-F548 HydrophobicContact CB-CE2 4.44Å; R544-F548 WeakPolarHBondContact O-CD2 3.48Å; R544-F548 PolarHBondContact O-N 2.66Å; R544-A579 HydrophobicContact CG-CB 3.82Å; R544-D580 IonicContact CZ-OD1 3.54Å; R544-D580 IonicContact NH1-OD1 3.21Å; R544-D580 PolarHBondContact NH1-OD1 3.2Å; R544-D580 IonicContact NH1-OD2 3.72Å; R544-D580 PolarHBondContact NH1-OD2 3.09Å; R544-D718 IonicContact CZ-OD2 2.74Å; R544-D718 IonicContact NH1-OD2 3.17Å; R544-D718 PolarHBondContact NH1-OD2 2.83Å; R544-D718 IonicContact NH2-OD2 3.18Å; R544-D718 PolarHBondContact NH2-OD2 3.47Å; R544-Y722 HydrophobicContact CG-CE2 4.09Å
545V97.2Very high93.7Very high15 Ų1536.7 Ų36.79%0.09120%0.196CC..Hα-helixtrans-59.3-46.7176.6171.10000110.8F512 F515 L516 A519 L541 V542 G547 F548 L549F512-V545 HydrophobicContact CD2-CG1 3.93Å; F512-V545 HydrophobicContact CE2-CG1 3.57Å; F515-V545 HydrophobicContact CB-CG2 3.88Å; L516-V545 HydrophobicContact CB-CG2 4.42Å; L516-V545 HydrophobicContact CD1-CG1 4.12Å; A519-V545 HydrophobicContact CB-CG2 4.27Å; L541-V545 WeakPolarHBondContact O-CG2 3.28Å; L541-V545 PolarHBondContact O-N 3.47Å; V542-V545 PolarHBondContact O-N 3.44Å; V545-G547 VanDerWaalsContact C-N 3.34Å; V545-G547 PolarHBondContact O-N 3.34Å; V545-F548 PolarHBondContact O-N 2.93Å; V545-L549 WeakPolarHBondContact O-CB 3.35Å; V545-L549 PolarHBondContact O-N 2.92Å
546L97.1Very high93.9Very high80 Ų8035.8 Ų35.842%0.41919%0.192SC..Hα-helixtrans-63.3-39.5176.2-70.2174.3000111.9V542 M543 R544 L549 L550 L575V542-L546 HydrophobicContact CG1-CD1 3.98Å; V542-L546 HydrophobicContact CG1-CG 4.31Å; V542-L546 WeakPolarHBondContact O-CB 3.36Å; V542-L546 VanDerWaalsContact O-CG 3.3Å; V542-L546 WeakPolarHBondContact O-CG 3.45Å; V542-L546 PolarHBondContact O-N 3.44Å; M543-L546 PolarHBondContact O-N 2.74Å; R544-L546 PolarHBondContact O-N 3.4Å; L546-L549 PolarHBondContact O-N 3.35Å; L546-L550 WeakPolarHBondContact O-CG 3.29Å; L546-L550 PolarHBondContact O-N 3.03Å; L546-L575 HydrophobicContact CB-CD1 3.85Å
547G94.7Very high94Very high3 Ų337 Ų373%0.03119%0.192CC..Hα-helixtrans-59.9-49.6174.400000112.4M543 R544 V545 L549 L550 H551 A572M543-G547 PolarHBondContact O-N 3.18Å; R544-G547 PolarHBondContact O-N 3.22Å; V545-G547 VanDerWaalsContact C-N 3.34Å; V545-G547 PolarHBondContact O-N 3.34Å; G547-L549 VanDerWaalsContact C-N 3.31Å; G547-L549 PolarHBondContact O-N 3.39Å; G547-L550 PolarHBondContact O-N 3.28Å; G547-H551 PolarHBondContact O-N 2.87Å; G547-A572 WeakPolarHBondContact O-CB 3.28Å
548F95.5Very high93.8Very high12 Ų1238.3 Ų38.35%0.05320%0.198CC..Hα-helixtrans-65-34176.6-68.5-54.9000113F508 A511 F512 F515 R544 V545 S552 I715F508-F548 HydrophobicContact CD1-CD1 4.03Å; F508-F548 HydrophobicContact CD1-CE1 4.36Å; A511-F548 HydrophobicContact CB-CD1 3.82Å; A511-F548 HydrophobicContact CB-CD2 4.14Å; A511-F548 HydrophobicContact CB-CE1 3.68Å; A511-F548 HydrophobicContact CB-CE2 4.02Å; A511-F548 HydrophobicContact CB-CG 4.06Å; A511-F548 HydrophobicContact CB-CZ 3.78Å; F512-F548 HydrophobicContact CB-CB 3.88Å; F515-F548 HydrophobicContact CB-CD2 4.36Å; F515-F548 HydrophobicContact CB-CE2 4.39Å; F515-F548 HydrophobicContact CD1-CE2 4.29Å; F515-F548 HydrophobicContact CD2-CD2 4.19Å; F515-F548 AromaticContact CD2-CE2 3.5Å; F515-F548 HydrophobicContact CD2-CE2 3.5Å; F515-F548 VanDerWaalsContact CD2-CE2 3.5Å; F515-F548 HydrophobicContact CD2-CZ 4.33Å; F515-F548 HydrophobicContact CE1-CE2 4.46Å; F515-F548 AromaticContact CE2-CE2 3.7Å; F515-F548 HydrophobicContact CE2-CE2 3.7Å; F515-F548 HydrophobicContact CE2-CZ 4.14Å; F515-F548 HydrophobicContact CG-CD2 4.26Å; F515-F548 AromaticContact CG-CE2 3.8Å; F515-F548 HydrophobicContact CG-CE2 3.8Å; F515-F548 HydrophobicContact CZ-CE2 4.19Å; R544-F548 HydrophobicContact CB-CE2 4.44Å; R544-F548 WeakPolarHBondContact O-CD2 3.48Å; R544-F548 PolarHBondContact O-N 2.66Å; V545-F548 PolarHBondContact O-N 2.93Å; F548-S552 VanDerWaalsContact O-CB 3.3Å; F548-S552 WeakPolarHBondContact O-CB 3.41Å; F548-S552 PolarHBondContact O-N 2.92Å; F548-S552 PolarHBondContact O-OG 2.84Å; F548-I715 HydrophobicContact CE1-CD1 3.93Å; F548-I715 HydrophobicContact CE1-CG1 3.89Å; F548-I715 HydrophobicContact CZ-CD1 4.46Å; F548-I715 HydrophobicContact CZ-CG1 3.99Å; F548-I715 HydrophobicContact CZ-CG2 4.43Å
549L95.6Very high93.5Very high83 Ų8337.2 Ų37.244%0.43519%0.192SC..Hα-helixtrans-63.6-44.6174-177.665.7000111.5F512 V545 L546 G547 S552 F553F512-L549 HydrophobicContact CD2-CB 4.17Å; F512-L549 HydrophobicContact CE2-CB 4.07Å; F512-L549 HydrophobicContact CE2-CD1 4.14Å; F512-L549 HydrophobicContact CZ-CD1 4.43Å; V545-L549 WeakPolarHBondContact O-CB 3.35Å; V545-L549 PolarHBondContact O-N 2.92Å; L546-L549 PolarHBondContact O-N 3.35Å; G547-L549 VanDerWaalsContact C-N 3.31Å; G547-L549 PolarHBondContact O-N 3.39Å; L549-S552 PolarHBondContact O-N 3.37Å; L549-F553 WeakPolarHBondContact O-CB 3.43Å; L549-F553 PolarHBondContact O-N 3.37Å
550L94.3Very high93.2Very high49 Ų4941.1 Ų41.126%0.25720%0.201SC..Hα-helixtrans-65.4-41.2177.4-72.1176.3000112.3L546 G547 F553 Y554 L568 F571 A572 L575L546-L550 WeakPolarHBondContact O-CG 3.29Å; L546-L550 PolarHBondContact O-N 3.03Å; G547-L550 PolarHBondContact O-N 3.28Å; L550-F553 PolarHBondContact O-N 2.92Å; L550-Y554 WeakPolarHBondContact O-CB 3.44Å; L550-Y554 PolarHBondContact O-N 3.5Å; L550-L568 HydrophobicContact CD2-CD2 3.94Å; L550-F571 HydrophobicContact CD1-CB 3.86Å; L550-A572 HydrophobicContact CB-CB 3.74Å; L550-A572 HydrophobicContact CD1-CB 4.43Å; L550-L575 HydrophobicContact CD1-CD1 3.84Å
551H92.1Very high92.7Very high19 Ų1947.3 Ų47.39%0.08823%0.225CC..Hα-helixtrans-63-45.2172.9-87.5-50.9000111.8F508 G547 F553 Y554 C555 A572 D573F508-H551 HydrophobicContact CB-CB 4.5Å; F508-H551 HydrophobicContact CD1-CB 4.13Å; F508-H551 HydrophobicContact CD2-CB 3.96Å; F508-H551 HydrophobicContact CE1-CB 4.31Å; F508-H551 HydrophobicContact CE2-CB 4.15Å; F508-H551 HydrophobicContact CG-CB 3.95Å; F508-H551 HydrophobicContact CZ-CB 4.32Å; G547-H551 PolarHBondContact O-N 2.87Å; H551-F553 VanDerWaalsContact C-N 3.32Å; H551-F553 PolarHBondContact O-N 2.77Å; H551-Y554 WeakPolarHBondContact O-CB 3.39Å; H551-Y554 PolarHBondContact O-N 2.93Å; H551-C555 PolarHBondContact O-N 3.16Å; H551-C555 PolarHBondContact O-SG 2.87Å; H551-A572 VanDerWaalsContact CD2-CB 3.4Å; H551-A572 WeakPolarHBondContact CD2-CB 3.44Å; H551-A572 WeakPolarHBondContact NE2-CB 3.45Å; H551-D573 IonicContact CE1-OD1 2.92Å; H551-D573 PolarHBondContact CE1-OD1 2.7Å; H551-D573 VanDerWaalsContact CE1-OD1 3.27Å; H551-D573 IonicContact NE2-OD1 2.76Å; H551-D573 PolarHBondContact NE2-OD1 3.14Å
552S92.9Very high91.9Very high12 Ų1247.3 Ų47.38%0.08423%0.225CC..Hα-helixtrans-61.2-41.4176.4-58.50000111.6F548 L549 C555 L556F548-S552 VanDerWaalsContact O-CB 3.3Å; F548-S552 WeakPolarHBondContact O-CB 3.41Å; F548-S552 PolarHBondContact O-N 2.92Å; F548-S552 PolarHBondContact O-OG 2.84Å; L549-S552 PolarHBondContact O-N 3.37Å; S552-C555 PolarHBondContact O-N 3.1Å; S552-L556 WeakPolarHBondContact O-CB 3.27Å; S552-L556 PolarHBondContact O-N 3.43Å
553F92.6Very high91.2Very high93 Ų9349.7 Ų49.741%0.40823%0.227SC..Hα-helixtrans-67.6-37.4176.3-173.7-104.2000112.6L549 L550 H551 L556 K557 L568L549-F553 WeakPolarHBondContact O-CB 3.43Å; L549-F553 PolarHBondContact O-N 3.37Å; L550-F553 PolarHBondContact O-N 2.92Å; H551-F553 VanDerWaalsContact C-N 3.32Å; H551-F553 PolarHBondContact O-N 2.77Å; F553-L556 PolarHBondContact O-N 3.34Å; F553-K557 HydrophobicContact CD1-CG 4.28Å; F553-K557 HydrophobicContact CE1-CD 4.2Å; F553-K557 HydrophobicContact CE1-CG 3.91Å; F553-K557 HydrophobicContact CE2-CG 4.49Å; F553-K557 HydrophobicContact CZ-CD 4.29Å; F553-K557 HydrophobicContact CZ-CG 4.04Å; F553-K557 WeakPolarHBondContact O-CB 3.38Å; F553-K557 WeakPolarHBondContact O-CG 3.3Å; F553-K557 PolarHBondContact O-N 3.44Å; F553-L568 HydrophobicContact CD1-CD1 3.95Å; F553-L568 HydrophobicContact CD1-CD2 3.78Å; F553-L568 HydrophobicContact CE1-CD1 4.27Å; F553-L568 HydrophobicContact CE1-CD2 4.31Å
554Y91.3Very high90.4Very high37 Ų3748.9 Ų48.915%0.14523%0.227CC..Hα-helixtrans-59-49.6170.5172.5-87.6000110.6L550 H551 L556 K557 F558 A564 L568 T569L550-Y554 WeakPolarHBondContact O-CB 3.44Å; L550-Y554 PolarHBondContact O-N 3.5Å; H551-Y554 WeakPolarHBondContact O-CB 3.39Å; H551-Y554 PolarHBondContact O-N 2.93Å; Y554-L556 VanDerWaalsContact C-N 3.33Å; Y554-L556 PolarHBondContact O-N 3.19Å; Y554-K557 PolarHBondContact O-N 3.31Å; Y554-F558 WeakPolarHBondContact O-CB 3.27Å; Y554-F558 PolarHBondContact O-N 3.2Å; Y554-A564 HydrophobicContact CD2-CB 3.43Å; Y554-A564 VanDerWaalsContact CD2-CB 3.43Å; Y554-A564 HydrophobicContact CE2-CB 3.4Å; Y554-A564 VanDerWaalsContact CE2-CB 3.4Å; Y554-A564 HydrophobicContact CG-CB 4.11Å; Y554-L568 HydrophobicContact CD2-CB 4.23Å; Y554-T569 HydrophobicContact CD1-CG2 3.74Å; Y554-T569 HydrophobicContact CD2-CG2 3.57Å; Y554-T569 HydrophobicContact CE1-CG2 4.03Å; Y554-T569 HydrophobicContact CE2-CG2 3.83Å; Y554-T569 HydrophobicContact CG-CG2 3.53Å
555C90.2Very high89.8Confident4 Ų451.6 Ų51.63%0.02725%0.248CC..Hα-helixtrans-60.4-43.2178.7-71.70000111.7F497 M505 H551 S552 F558 A559F497-C555 HydrophobicContact CZ-CB 4.16Å; M505-C555 HydrophobicContact CB-CB 4Å; M505-C555 HydrophobicContact CG-CB 4.4Å; M505-C555 HydrophobicContact SD-CB 3.94Å; H551-C555 PolarHBondContact O-N 3.16Å; H551-C555 PolarHBondContact O-SG 2.87Å; S552-C555 PolarHBondContact O-N 3.1Å; C555-F558 PolarHBondContact O-N 3.44Å; C555-A559 VanDerWaalsContact O-CB 3.32Å; C555-A559 WeakPolarHBondContact O-CB 3.48Å; C555-A559 PolarHBondContact O-N 2.99Å
556L91.4Very high88.9Confident71 Ų7153 Ų5337%0.37227%0.266SS..Hα-helixtrans-61.6-48176.7-169.871.1000111.9F493 S552 F553 Y554 F558 A559 F560F493-L556 HydrophobicContact CE1-CD1 4.4Å; F493-L556 HydrophobicContact CZ-CD1 3.88Å; S552-L556 WeakPolarHBondContact O-CB 3.27Å; S552-L556 PolarHBondContact O-N 3.43Å; F553-L556 PolarHBondContact O-N 3.34Å; Y554-L556 VanDerWaalsContact C-N 3.33Å; Y554-L556 PolarHBondContact O-N 3.19Å; L556-F558 VanDerWaalsContact C-N 3.32Å; L556-F558 PolarHBondContact O-N 3.08Å; L556-A559 PolarHBondContact O-N 2.93Å; L556-F560 HydrophobicContact CD1-CD2 4.1Å; L556-F560 HydrophobicContact CD1-CE2 3.63Å; L556-F560 HydrophobicContact CG-CD2 4.27Å; L556-F560 HydrophobicContact CG-CE2 4.26Å; L556-F560 VanDerWaalsContact O-CD2 3.3Å; L556-F560 WeakPolarHBondContact O-CD2 3.4Å; L556-F560 PolarHBondContact O-N 3.33Å
557K90.8Very high88.4Confident88 Ų8853.9 Ų53.938%0.38327%0.269SS..Hα-helixtrans-60.6-43.2176-79.6-119.5179.3-1780111.5F553 Y554 F560 Y561 A564F553-K557 HydrophobicContact CD1-CG 4.28Å; F553-K557 HydrophobicContact CE1-CD 4.2Å; F553-K557 HydrophobicContact CE1-CG 3.91Å; F553-K557 HydrophobicContact CE2-CG 4.49Å; F553-K557 HydrophobicContact CZ-CD 4.29Å; F553-K557 HydrophobicContact CZ-CG 4.04Å; F553-K557 WeakPolarHBondContact O-CB 3.38Å; F553-K557 WeakPolarHBondContact O-CG 3.3Å; F553-K557 PolarHBondContact O-N 3.44Å; Y554-K557 PolarHBondContact O-N 3.31Å; K557-F560 PolarHBondContact O-N 3.05Å; K557-Y561 HydrophobicContact CD-CD2 4.48Å; K557-Y561 WeakPolarHBondContact O-CB 3.46Å; K557-Y561 VanDerWaalsContact O-CD2 3.3Å; K557-Y561 WeakPolarHBondContact O-CD2 3.3Å; K557-Y561 PolarHBondContact O-N 3.02Å; K557-A564 HydrophobicContact CB-CB 4.05Å
558F88Confident88Confident27 Ų2755.2 Ų55.212%0.11828%0.275CS..Hα-helixtrans-64.4-41.7179-161.6-99.4000111.5L308 Q496 F497 Y554 C555 L556 F560 G562 A564L308-F558 HydrophobicContact CB-CE1 4.17Å; L308-F558 HydrophobicContact CB-CZ 3.83Å; Q496-F558 WeakPolarHBondContact O-CD1 3.35Å; Q496-F558 WeakPolarHBondContact O-CE1 3.39Å; F497-F558 AromaticContact CD1-CD1 3.86Å; F497-F558 HydrophobicContact CD1-CD1 3.86Å; F497-F558 HydrophobicContact CD1-CE1 4.07Å; F497-F558 HydrophobicContact CD2-CD1 4.16Å; F497-F558 HydrophobicContact CE1-CB 4.43Å; F497-F558 AromaticContact CE1-CD1 3.53Å; F497-F558 HydrophobicContact CE1-CD1 3.53Å; F497-F558 HydrophobicContact CE1-CE1 4.15Å; F497-F558 HydrophobicContact CE1-CG 4.29Å; F497-F558 HydrophobicContact CE2-CB 4.45Å; F497-F558 AromaticContact CE2-CD1 3.85Å; F497-F558 HydrophobicContact CE2-CD1 3.85Å; F497-F558 HydrophobicContact CG-CD1 4.2Å; F497-F558 HydrophobicContact CG-CE1 4.4Å; F497-F558 HydrophobicContact CZ-CB 3.89Å; F497-F558 AromaticContact CZ-CD1 3.54Å; F497-F558 HydrophobicContact CZ-CD1 3.54Å; F497-F558 HydrophobicContact CZ-CG 4.14Å; Y554-F558 WeakPolarHBondContact O-CB 3.27Å; Y554-F558 PolarHBondContact O-N 3.2Å; C555-F558 PolarHBondContact O-N 3.44Å; L556-F558 VanDerWaalsContact C-N 3.32Å; L556-F558 PolarHBondContact O-N 3.08Å; F558-F560 VanDerWaalsContact C-N 3.28Å; F558-F560 PolarHBondContact O-N 3.29Å; F558-G562 WeakPolarHBondContact CE2-O 3.36Å; F558-G562 VanDerWaalsContact O-CA 3.32Å; F558-G562 WeakPolarHBondContact O-CA 3.37Å; F558-G562 PolarHBondContact O-N 2.73Å; F558-A564 HydrophobicContact CB-CB 4.01Å; F558-A564 HydrophobicContact CD2-CB 4.08Å
559A87.5Confident87.5Confident1 Ų156.1 Ų56.11%0.00828%0.281CS..Hα-helixtrans-60.9-29.8178.100000114.2P492 F493 Q496 F497 C555 L556P492-A559 HydrophobicContact CB-CB 4.27Å; P492-A559 WeakPolarHBondContact CB-O 3.26Å; F493-A559 HydrophobicContact CD1-CB 3.51Å; F493-A559 HydrophobicContact CE1-CB 3.51Å; F493-A559 HydrophobicContact CG-CB 4.16Å; F493-A559 HydrophobicContact CZ-CB 4.18Å; Q496-A559 VanDerWaalsContact CG-O 3.23Å; Q496-A559 WeakPolarHBondContact CG-O 3.26Å; F497-A559 HydrophobicContact CE2-CB 3.95Å; C555-A559 VanDerWaalsContact O-CB 3.32Å; C555-A559 WeakPolarHBondContact O-CB 3.48Å; C555-A559 PolarHBondContact O-N 2.99Å; L556-A559 PolarHBondContact O-N 2.93Å
560F86.2Confident87.1Confident125 Ų12553.7 Ų53.755%0.54827%0.269SS..Hα-helixtrans-101.2-25.9-178-75.3-71.2000114.2P492 L556 K557 F558P492-F560 HydrophobicContact CB-CE1 4.49Å; P492-F560 HydrophobicContact CG-CE1 4.15Å; P492-F560 HydrophobicContact CG-CZ 4.24Å; L556-F560 HydrophobicContact CD1-CD2 4.1Å; L556-F560 HydrophobicContact CD1-CE2 3.63Å; L556-F560 HydrophobicContact CG-CD2 4.27Å; L556-F560 HydrophobicContact CG-CE2 4.26Å; L556-F560 VanDerWaalsContact O-CD2 3.3Å; L556-F560 WeakPolarHBondContact O-CD2 3.4Å; L556-F560 PolarHBondContact O-N 3.33Å; K557-F560 PolarHBondContact O-N 3.05Å; F558-F560 VanDerWaalsContact C-N 3.28Å; F558-F560 PolarHBondContact O-N 3.29Å
561Y84.9Confident86.9Confident155 Ų15556.5 Ų56.561%0.60828%0.279SS*.Hα-helixtrans-117.9-6.8-173.5-59.2-73000114K557 R563K557-Y561 HydrophobicContact CD-CD2 4.48Å; K557-Y561 WeakPolarHBondContact O-CB 3.46Å; K557-Y561 VanDerWaalsContact O-CD2 3.3Å; K557-Y561 WeakPolarHBondContact O-CD2 3.3Å; K557-Y561 PolarHBondContact O-N 3.02Å; Y561-R563 PolarHBondContact O-N 2.84Å
562G80Confident86.8Confident1 Ų155.6 Ų55.61%0.0128%0.275CS..SBendtrans65.3-1.4-173.200000114.8F558F558-G562 WeakPolarHBondContact CE2-O 3.36Å; F558-G562 VanDerWaalsContact O-CA 3.32Å; F558-G562 WeakPolarHBondContact O-CA 3.37Å; F558-G562 PolarHBondContact O-N 2.73Å
563R80.3Confident86.6Confident115 Ų11556.6 Ų56.643%0.43428%0.279SS..  trans-138.2138.3178.1-60.7-170.1-168.2169.117.6110.1N309 D477 Y561N309-R563 HydrophobicContact CB-CG 4.39Å; N309-R563 PolarHBondContact OD1-NE 3.45Å; N309-R563 PolarHBondContact OD1-NH2 2.86Å; D477-R563 IonicContact OD1-NH2 3.55Å; D477-R563 IonicContact OD2-NH2 3.72Å; Y561-R563 PolarHBondContact O-N 2.84Å
564A81.1Confident86.5Confident26 Ų2653.5 Ų53.522%0.21527%0.267CS..  trans-141.9149.7171.100000109.6Y554 K557 F558 G566Y554-A564 HydrophobicContact CD2-CB 3.43Å; Y554-A564 VanDerWaalsContact CD2-CB 3.43Å; Y554-A564 HydrophobicContact CE2-CB 3.4Å; Y554-A564 VanDerWaalsContact CE2-CB 3.4Å; Y554-A564 HydrophobicContact CG-CB 4.11Å; K557-A564 HydrophobicContact CB-CB 4.05Å; F558-A564 HydrophobicContact CB-CB 4.01Å; F558-A564 HydrophobicContact CD2-CB 4.08Å; A564-G566 PolarHBondContact O-N 3.05Å
565S82.1Confident86.5Confident68 Ų6854 Ų5448%0.47627%0.272SS..  trans-70.3121.9179.7179.40000110M567 L568S565-M567 PolarHBondContact O-N 3.34Å; S565-M567 WeakPolarHBondContact OG-CB 3.18Å; S565-M567 PolarHBondContact OG-N 3.15Å; S565-L568 WeakPolarHBondContact O-CB 3.32Å; S565-L568 PolarHBondContact O-N 3.19Å
566G79.1Confident86.6Confident45 Ų4554.8 Ų54.846%0.46428%0.279SS..Hα-helixtrans-60.3-13.7172.800000113.8A564 L568 T569 L570A564-G566 PolarHBondContact O-N 3.05Å; G566-L568 VanDerWaalsContact C-N 3.27Å; G566-L568 PolarHBondContact O-N 2.99Å; G566-T569 PolarHBondContact O-N 3.04Å; G566-T569 PolarHBondContact O-OG1 3.27Å; G566-L570 PolarHBondContact O-N 2.7Å
567M85.2Confident86.4Confident97 Ų9752.1 Ų52.148%0.47827%0.266SS..Hα-helixtrans-63.9-32.8172.1-63.9-60.7-69.900112.1S565 L570 F571S565-M567 PolarHBondContact O-N 3.34Å; S565-M567 WeakPolarHBondContact OG-CB 3.18Å; S565-M567 PolarHBondContact OG-N 3.15Å; M567-L570 HydrophobicContact CE-CD2 4.12Å; M567-L570 PolarHBondContact O-N 3.21Å; M567-L570 HydrophobicContact SD-CD2 4.03Å; M567-F571 HydrophobicContact CB-CD2 4.39Å; M567-F571 HydrophobicContact CB-CE2 4.26Å; M567-F571 HydrophobicContact CE-CE2 3.9Å; M567-F571 HydrophobicContact CE-CZ 4.08Å; M567-F571 WeakPolarHBondContact O-CD2 3.3Å; M567-F571 PolarHBondContact O-N 3.23Å
568L87.2Confident86.4Confident32 Ų3249.4 Ų49.417%0.16826%0.257CS..Hα-helixtrans-61.9-48.5177.4-74.9157.9000110.9L550 F553 Y554 S565 G566 F571 A572L550-L568 HydrophobicContact CD2-CD2 3.94Å; F553-L568 HydrophobicContact CD1-CD1 3.95Å; F553-L568 HydrophobicContact CD1-CD2 3.78Å; F553-L568 HydrophobicContact CE1-CD1 4.27Å; F553-L568 HydrophobicContact CE1-CD2 4.31Å; Y554-L568 HydrophobicContact CD2-CB 4.23Å; S565-L568 WeakPolarHBondContact O-CB 3.32Å; S565-L568 PolarHBondContact O-N 3.19Å; G566-L568 VanDerWaalsContact C-N 3.27Å; G566-L568 PolarHBondContact O-N 2.99Å; L568-F571 PolarHBondContact O-N 2.98Å; L568-A572 WeakPolarHBondContact O-CB 3.46Å; L568-A572 PolarHBondContact O-N 2.79Å
569T85.1Confident86.6Confident30 Ų3048.1 Ų48.118%0.18425%0.251CS..Hα-helixtrans-65.3-39.3176.747.50000111.5Y554 G566 A572 D573Y554-T569 HydrophobicContact CD1-CG2 3.74Å; Y554-T569 HydrophobicContact CD2-CG2 3.57Å; Y554-T569 HydrophobicContact CE1-CG2 4.03Å; Y554-T569 HydrophobicContact CE2-CG2 3.83Å; Y554-T569 HydrophobicContact CG-CG2 3.53Å; G566-T569 PolarHBondContact O-N 3.04Å; G566-T569 PolarHBondContact O-OG1 3.27Å; T569-A572 WeakPolarHBondContact O-CB 3.39Å; T569-A572 PolarHBondContact O-N 3.01Å; T569-D573 WeakPolarHBondContact O-CB 3.45Å; T569-D573 PolarHBondContact O-N 2.98Å
570L85.9Confident86.7Confident33 Ų3349.2 Ų49.217%0.17326%0.257CS..Hα-helixtrans-59.7-49.1175.8171.963.1000111.8G566 M567 A572 D573 L574 A626G566-L570 PolarHBondContact O-N 2.7Å; M567-L570 HydrophobicContact CE-CD2 4.12Å; M567-L570 PolarHBondContact O-N 3.21Å; M567-L570 HydrophobicContact SD-CD2 4.03Å; L570-A572 VanDerWaalsContact C-N 3.34Å; L570-D573 PolarHBondContact O-N 3.44Å; L570-L574 HydrophobicContact CD1-CD1 4.01Å; L570-L574 HydrophobicContact CD1-CG 4.18Å; L570-L574 HydrophobicContact CG-CD1 4.02Å; L570-L574 WeakPolarHBondContact O-CB 3.35Å; L570-L574 VanDerWaalsContact O-CG 3.28Å; L570-L574 WeakPolarHBondContact O-CG 3.36Å; L570-L574 PolarHBondContact O-N 2.9Å; L570-A626 HydrophobicContact CD1-CB 3.54Å
571F90.9Very high86.8Confident108 Ų10843.5 Ų43.547%0.47423%0.232SC..Hα-helixtrans-65.5-38.8178.3-75.2-60.2000112L550 M567 L568 L574 L575L550-F571 HydrophobicContact CD1-CB 3.86Å; M567-F571 HydrophobicContact CB-CD2 4.39Å; M567-F571 HydrophobicContact CB-CE2 4.26Å; M567-F571 HydrophobicContact CE-CE2 3.9Å; M567-F571 HydrophobicContact CE-CZ 4.08Å; M567-F571 WeakPolarHBondContact O-CD2 3.3Å; M567-F571 PolarHBondContact O-N 3.23Å; L568-F571 PolarHBondContact O-N 2.98Å; F571-L574 HydrophobicContact CD1-CD1 4.38Å; F571-L574 PolarHBondContact O-N 3.03Å; F571-L575 WeakPolarHBondContact O-CG 3.34Å; F571-L575 PolarHBondContact O-N 3.23Å
572A90.9Very high87Confident0 Ų036.2 Ų36.20%020%0.204CC..Hα-helixtrans-59.5-47.9174.900000111.8G547 L550 H551 L568 T569 L570 L575 A576G547-A572 WeakPolarHBondContact O-CB 3.28Å; L550-A572 HydrophobicContact CB-CB 3.74Å; L550-A572 HydrophobicContact CD1-CB 4.43Å; H551-A572 VanDerWaalsContact CD2-CB 3.4Å; H551-A572 WeakPolarHBondContact CD2-CB 3.44Å; H551-A572 WeakPolarHBondContact NE2-CB 3.45Å; L568-A572 WeakPolarHBondContact O-CB 3.46Å; L568-A572 PolarHBondContact O-N 2.79Å; T569-A572 WeakPolarHBondContact O-CB 3.39Å; T569-A572 PolarHBondContact O-N 3.01Å; L570-A572 VanDerWaalsContact C-N 3.34Å; A572-L575 PolarHBondContact O-N 3.43Å; A572-A576 PolarHBondContact O-N 3.1Å
573D87.5Confident87.5Confident33 Ų3336.1 Ų36.118%0.17620%0.203CC..Hα-helixtrans-66.7-37.6179.2-68.7-19.5000111.6H551 T569 L570 A576 S577 T622H551-D573 IonicContact CE1-OD1 2.92Å; H551-D573 PolarHBondContact CE1-OD1 2.7Å; H551-D573 VanDerWaalsContact CE1-OD1 3.27Å; H551-D573 IonicContact NE2-OD1 2.76Å; H551-D573 PolarHBondContact NE2-OD1 3.14Å; T569-D573 WeakPolarHBondContact O-CB 3.45Å; T569-D573 PolarHBondContact O-N 2.98Å; L570-D573 PolarHBondContact O-N 3.44Å; D573-A576 PolarHBondContact O-N 3.35Å; D573-S577 WeakPolarHBondContact O-CB 3.43Å; D573-S577 PolarHBondContact O-N 3.01Å; D573-T622 HydrophobicContact CB-CG2 4.28Å
574L90.6Very high87.9Confident27 Ų2730.9 Ų30.914%0.14118%0.184CC..Hα-helixtrans-62.5-43.5174.4-80170000112.6L570 F571 T578 I619 T622L570-L574 HydrophobicContact CD1-CD1 4.01Å; L570-L574 HydrophobicContact CD1-CG 4.18Å; L570-L574 HydrophobicContact CG-CD1 4.02Å; L570-L574 WeakPolarHBondContact O-CB 3.35Å; L570-L574 VanDerWaalsContact O-CG 3.28Å; L570-L574 WeakPolarHBondContact O-CG 3.36Å; L570-L574 PolarHBondContact O-N 2.9Å; F571-L574 HydrophobicContact CD1-CD1 4.38Å; F571-L574 PolarHBondContact O-N 3.03Å; L574-T578 VanDerWaalsContact O-CB 3.23Å; L574-T578 WeakPolarHBondContact O-CB 3.13Å; L574-T578 PolarHBondContact O-N 2.92Å; L574-T578 PolarHBondContact O-OG1 3.47Å; L574-I619 HydrophobicContact CD2-CB 4.45Å; L574-I619 HydrophobicContact CD2-CG2 3.99Å; L574-T622 HydrophobicContact CD2-CG2 3.85Å; L574-T622 HydrophobicContact CG-CG2 4.15Å
575L92.6Very high88.2Confident47 Ų4730.8 Ų30.825%0.24618%0.179CC..Hα-helixtrans-63.8-47.2176.2-73.8170.3000111.2M543 L546 L550 F571 A572 T578 A579M543-L575 HydrophobicContact CB-CD2 4.36Å; M543-L575 HydrophobicContact CG-CD2 4.14Å; L546-L575 HydrophobicContact CB-CD1 3.85Å; L550-L575 HydrophobicContact CD1-CD1 3.84Å; F571-L575 WeakPolarHBondContact O-CG 3.34Å; F571-L575 PolarHBondContact O-N 3.23Å; A572-L575 PolarHBondContact O-N 3.43Å; L575-T578 PolarHBondContact O-N 3.5Å; L575-A579 WeakPolarHBondContact O-CB 3.24Å; L575-A579 PolarHBondContact O-N 3Å
576A90.4Very high88.4Confident21 Ų2128.1 Ų28.117%0.17416%0.16CC..Hα-helixtrans-62.3-48.6178.300000111.8A572 D573 T578 A579 D580A572-A576 PolarHBondContact O-N 3.1Å; D573-A576 PolarHBondContact O-N 3.35Å; A576-T578 VanDerWaalsContact C-N 3.31Å; A576-T578 PolarHBondContact O-N 2.84Å; A576-A579 WeakPolarHBondContact O-CB 3.24Å; A576-A579 PolarHBondContact O-N 2.84Å; A576-D580 PolarHBondContact O-N 3.22Å
577S87.9Confident88.9Confident16 Ų1626.2 Ų26.211%0.11214%0.139CC..Hα-helixtrans-61-39.1179.9-173.90000112.1D573 M581 Q618 T622D573-S577 WeakPolarHBondContact O-CB 3.43Å; D573-S577 PolarHBondContact O-N 3.01Å; S577-M581 WeakPolarHBondContact O-CB 3.46Å; S577-M581 PolarHBondContact O-N 3.39Å; S577-M581 VanDerWaalsContact O-N 3.09Å; S577-Q618 WeakPolarHBondContact OG-CG 3.47Å; S577-Q618 PolarHBondContact OG-NE2 3.46Å; S577-T622 PolarHBondContact OG-OG1 3.16Å
578T90Very high89Confident30 Ų3021.8 Ų21.818%0.18412%0.117CC..Hα-helixtrans-70.7-41.2175.9-59.40000111.5M543 L574 L575 A576 M581 G582M543-T578 HydrophobicContact SD-CG2 4.13Å; L574-T578 VanDerWaalsContact O-CB 3.23Å; L574-T578 WeakPolarHBondContact O-CB 3.13Å; L574-T578 PolarHBondContact O-N 2.92Å; L574-T578 PolarHBondContact O-OG1 3.47Å; L575-T578 PolarHBondContact O-N 3.5Å; A576-T578 VanDerWaalsContact C-N 3.31Å; A576-T578 PolarHBondContact O-N 2.84Å; T578-M581 PolarHBondContact O-N 2.79Å; T578-G582 PolarHBondContact O-N 3.43Å
579A92.5Very high88.7Confident0 Ų020.6 Ų20.60%011%0.112CC..Hα-helixtrans-62.4-42.8175.500000111.8F540 M543 R544 L575 A576 G582 L583 Y722F540-A579 HydrophobicContact CB-CB 4.27Å; M543-A579 HydrophobicContact CB-CB 3.98Å; R544-A579 HydrophobicContact CG-CB 3.82Å; L575-A579 WeakPolarHBondContact O-CB 3.24Å; L575-A579 PolarHBondContact O-N 3Å; A576-A579 WeakPolarHBondContact O-CB 3.24Å; A576-A579 PolarHBondContact O-N 2.84Å; A579-G582 PolarHBondContact O-N 3.37Å; A579-L583 WeakPolarHBondContact O-CB 3.31Å; A579-L583 PolarHBondContact O-N 3.29Å; A579-Y722 PolarHBondContact O-OH 3.28Å
580D89.6Confident88.5Confident25 Ų2519.2 Ų19.213%0.13410%0.104CC..Hα-helixtrans-67.8-41.3179.9-63.4-11.2000111.6R544 A576 L583 M584R544-D580 IonicContact CZ-OD1 3.54Å; R544-D580 IonicContact NH1-OD1 3.21Å; R544-D580 PolarHBondContact NH1-OD1 3.2Å; R544-D580 IonicContact NH1-OD2 3.72Å; R544-D580 PolarHBondContact NH1-OD2 3.09Å; A576-D580 PolarHBondContact O-N 3.22Å; D580-L583 WeakPolarHBondContact O-CB 3.21Å; D580-L583 PolarHBondContact O-N 3.16Å; D580-M584 WeakPolarHBondContact O-CG 3.4Å; D580-M584 PolarHBondContact O-N 3.49Å
581M88.2Confident88.4Confident4 Ų417.7 Ų17.72%0.0210%0.096CC..Hα-helixtrans-64-43.4173.3-171.356.24600111.5S577 T578 L583 M584 L585 C614 M615 Q618 M649 M653S577-M581 WeakPolarHBondContact O-CB 3.46Å; S577-M581 PolarHBondContact O-N 3.39Å; S577-M581 VanDerWaalsContact O-N 3.09Å; T578-M581 PolarHBondContact O-N 2.79Å; M581-L583 VanDerWaalsContact C-N 3.31Å; M581-L583 PolarHBondContact O-N 3.34Å; M581-M584 HydrophobicContact CE-SD 4.3Å; M581-M584 PolarHBondContact O-N 3.2Å; M581-L585 HydrophobicContact CG-CD1 4.38Å; M581-L585 WeakPolarHBondContact O-CG 3.47Å; M581-L585 PolarHBondContact O-N 3.19Å; M581-L585 VanDerWaalsContact O-N 3.09Å; M581-C614 HydrophobicContact SD-CB 4.16Å; M581-M615 HydrophobicContact CG-CG 3.99Å; M581-Q618 HydrophobicContact CB-CG 4.47Å; M581-Q618 HydrophobicContact CE-CB 4.36Å; M581-Q618 HydrophobicContact CE-CG 4.14Å; M581-M649 HydrophobicContact CE-CE 3.2Å; M581-M649 HydrophobicContact SD-CE 3.85Å; M581-M653 HydrophobicContact SD-CG 4.47Å
582G89.2Confident87.8Confident2 Ų213.7 Ų13.72%0.0218%0.078CC..Hα-helixtrans-58.9-41.417400000112.4F540 T578 A579 L585 L586F540-G582 VanDerWaalsContact CE2-O 3.29Å; F540-G582 WeakPolarHBondContact CE2-O 3.24Å; T578-G582 PolarHBondContact O-N 3.43Å; A579-G582 PolarHBondContact O-N 3.37Å; G582-L585 PolarHBondContact O-N 3.29Å; G582-L586 WeakPolarHBondContact O-CB 3.36Å; G582-L586 PolarHBondContact O-N 2.87Å
583L91.1Very high86.8Confident0 Ų014 Ų140%08%0.08CC..Hα-helixtrans-63.2-44.3176.8-16667.4000111.9L537 A579 D580 M581 L585 L586 L587 W687 A721 Y722 L725L537-L583 HydrophobicContact CD1-CD1 3.88Å; A579-L583 WeakPolarHBondContact O-CB 3.31Å; A579-L583 PolarHBondContact O-N 3.29Å; D580-L583 WeakPolarHBondContact O-CB 3.21Å; D580-L583 PolarHBondContact O-N 3.16Å; M581-L583 VanDerWaalsContact C-N 3.31Å; M581-L583 PolarHBondContact O-N 3.34Å; L583-L585 VanDerWaalsContact C-N 3.33Å; L583-L585 PolarHBondContact O-N 2.75Å; L583-L586 HydrophobicContact CD1-CD2 4.5Å; L583-L586 WeakPolarHBondContact O-CB 3.49Å; L583-L586 PolarHBondContact O-N 3.39Å; L583-L587 WeakPolarHBondContact O-CG 3.42Å; L583-L587 PolarHBondContact O-N 2.89Å; L583-W687 HydrophobicContact CB-CH2 4.12Å; L583-W687 HydrophobicContact CD2-CH2 3.73Å; L583-W687 HydrophobicContact CD2-CZ2 3.78Å; L583-W687 HydrophobicContact CD2-CZ3 4.18Å; L583-W687 HydrophobicContact CG-CH2 4.24Å; L583-W687 HydrophobicContact CG-CZ3 4.5Å; L583-A721 HydrophobicContact CD2-CB 4.42Å; L583-Y722 HydrophobicContact CD1-CD1 4.19Å; L583-Y722 HydrophobicContact CD1-CE1 3.77Å; L583-Y722 HydrophobicContact CD2-CD2 4.04Å; L583-Y722 HydrophobicContact CD2-CE1 4.22Å; L583-Y722 HydrophobicContact CD2-CE2 3.67Å; L583-Y722 HydrophobicContact CD2-CG 4.47Å; L583-L725 HydrophobicContact CD1-CD1 3.41Å; L583-L725 VanDerWaalsContact CD1-CD1 3.41Å; L583-L725 HydrophobicContact CG-CD1 4.22Å
584M88.9Confident85.9Confident5 Ų512.8 Ų12.83%0.0257%0.073CC..Hα-helixtrans-59-45.8175.3-68.6177.7-150.400111.5D580 M581 L586 L587 I588 R650 M653 W687 F688D580-M584 WeakPolarHBondContact O-CG 3.4Å; D580-M584 PolarHBondContact O-N 3.49Å; M581-M584 HydrophobicContact CE-SD 4.3Å; M581-M584 PolarHBondContact O-N 3.2Å; M584-L586 VanDerWaalsContact C-N 3.33Å; M584-L586 PolarHBondContact O-N 3.29Å; M584-L587 PolarHBondContact O-N 2.78Å; M584-I588 WeakPolarHBondContact O-CG1 3.27Å; M584-I588 PolarHBondContact O-N 2.98Å; M584-R650 HydrophobicContact CE-CG 3.84Å; M584-R650 HydrophobicContact SD-CG 3.97Å; M584-M653 HydrophobicContact SD-CB 4.39Å; M584-W687 HydrophobicContact CE-CH2 3.9Å; M584-W687 HydrophobicContact CE-CZ3 4.24Å; M584-W687 HydrophobicContact CG-CH2 3.79Å; M584-W687 HydrophobicContact CG-CZ3 3.52Å; M584-F688 HydrophobicContact CB-CE1 3.84Å; M584-F688 HydrophobicContact CB-CZ 4.15Å; M584-F688 HydrophobicContact CG-CD1 4.27Å; M584-F688 HydrophobicContact CG-CE1 3.56Å; M584-F688 HydrophobicContact CG-CZ 4.15Å; M584-F688 HydrophobicContact SD-CD1 4.45Å; M584-F688 HydrophobicContact SD-CE1 4.11Å
585L87.9Confident84.4Confident23 Ų2315.2 Ų15.212%0.129%0.09CC..Hα-helixtrans-64.9-38.3178.1-68.7167.5000111.8M581 G582 L583 I588 A589 A611 M615 M653M581-L585 HydrophobicContact CG-CD1 4.38Å; M581-L585 WeakPolarHBondContact O-CG 3.47Å; M581-L585 PolarHBondContact O-N 3.19Å; M581-L585 VanDerWaalsContact O-N 3.09Å; G582-L585 PolarHBondContact O-N 3.29Å; L583-L585 VanDerWaalsContact C-N 3.33Å; L583-L585 PolarHBondContact O-N 2.75Å; L585-I588 PolarHBondContact O-N 3.17Å; L585-A589 WeakPolarHBondContact O-CB 3.23Å; L585-A589 PolarHBondContact O-N 3.34Å; L585-A611 HydrophobicContact CD1-CB 3.73Å; L585-A611 HydrophobicContact CD2-CB 3.95Å; L585-A611 HydrophobicContact CG-CB 4.41Å; L585-M615 HydrophobicContact CD1-CE 4.03Å; L585-M615 HydrophobicContact CD1-CG 4.08Å; L585-M615 HydrophobicContact CD1-SD 4.38Å; L585-M653 HydrophobicContact CD2-SD 4.06Å
586L86.3Confident82.7Confident13 Ų1315.9 Ų15.97%0.06810%0.099CC..Hα-helixtrans-62.9-45.7174.4-179.363.2000111.2V533 V536 L537 F540 G582 L583 M584 I588 A589 V590V533-L586 HydrophobicContact CG1-CD1 4.2Å; V536-L586 HydrophobicContact CG1-CD1 4.15Å; V536-L586 HydrophobicContact CG1-CD2 4.48Å; L537-L586 HydrophobicContact CB-CD2 4.04Å; L537-L586 HydrophobicContact CD1-CD2 4.09Å; F540-L586 HydrophobicContact CD2-CD2 4.35Å; F540-L586 HydrophobicContact CE2-CB 4.15Å; F540-L586 HydrophobicContact CE2-CD2 4.3Å; G582-L586 WeakPolarHBondContact O-CB 3.36Å; G582-L586 PolarHBondContact O-N 2.87Å; L583-L586 HydrophobicContact CD1-CD2 4.5Å; L583-L586 WeakPolarHBondContact O-CB 3.49Å; L583-L586 PolarHBondContact O-N 3.39Å; M584-L586 VanDerWaalsContact C-N 3.33Å; M584-L586 PolarHBondContact O-N 3.29Å; L586-I588 VanDerWaalsContact C-N 3.34Å; L586-I588 PolarHBondContact O-N 2.85Å; L586-A589 WeakPolarHBondContact O-CB 3.32Å; L586-A589 PolarHBondContact O-N 2.64Å; L586-A589 VanDerWaalsContact O-N 3.13Å; L586-V590 HydrophobicContact CD1-CG2 4.3Å; L586-V590 HydrophobicContact CG-CG2 4.35Å; L586-V590 WeakPolarHBondContact O-CB 3.33Å; L586-V590 WeakPolarHBondContact O-CG2 3.44Å; L586-V590 PolarHBondContact O-N 2.89Å
587L88.9Confident81Confident4 Ų417.9 Ų17.92%0.02111%0.112CC..Hα-helixtrans-59.1-43.9176.2-73.8175000111.8L583 M584 A589 V590 V591 F657 F680 C684 W687 F688 L725L583-L587 WeakPolarHBondContact O-CG 3.42Å; L583-L587 PolarHBondContact O-N 2.89Å; M584-L587 PolarHBondContact O-N 2.78Å; L587-A589 VanDerWaalsContact C-N 3.34Å; L587-A589 PolarHBondContact O-N 3.18Å; L587-V590 PolarHBondContact O-N 3.48Å; L587-V591 WeakPolarHBondContact O-CG2 3.41Å; L587-V591 PolarHBondContact O-N 3.45Å; L587-V591 VanDerWaalsContact O-N 3.12Å; L587-F657 HydrophobicContact CB-CD2 4.08Å; L587-F657 HydrophobicContact CB-CE2 3.94Å; L587-F680 HydrophobicContact CD2-CZ 3.83Å; L587-C684 HydrophobicContact CD1-CB 4.45Å; L587-W687 HydrophobicContact CD1-CE3 4.08Å; L587-W687 HydrophobicContact CD1-CZ3 4.11Å; L587-F688 HydrophobicContact CB-CE2 4.38Å; L587-F688 HydrophobicContact CB-CZ 4.36Å; L587-F688 HydrophobicContact CD1-CE2 3.84Å; L587-F688 HydrophobicContact CD1-CZ 4.16Å; L587-L725 HydrophobicContact CD2-CD1 3.95Å; L587-L725 HydrophobicContact CD2-CD2 3.75Å; L587-L725 HydrophobicContact CD2-CG 4.29Å; L587-L725 HydrophobicContact CG-CD1 4.48Å
588I86.8Confident79.4Confident4 Ų418.3 Ų18.32%0.02111%0.113CC..Hα-helixtrans-61.5-43.3174.3-66.3165.8000110.7M584 L585 L586 V591 K592 M653 C656 F657 E660M584-I588 WeakPolarHBondContact O-CG1 3.27Å; M584-I588 PolarHBondContact O-N 2.98Å; L585-I588 PolarHBondContact O-N 3.17Å; L586-I588 VanDerWaalsContact C-N 3.34Å; L586-I588 PolarHBondContact O-N 2.85Å; I588-V591 PolarHBondContact O-N 3.36Å; I588-K592 VanDerWaalsContact O-CB 3.24Å; I588-K592 WeakPolarHBondContact O-CB 3.39Å; I588-K592 PolarHBondContact O-N 3.41Å; I588-M653 HydrophobicContact CD1-CB 4.33Å; I588-M653 HydrophobicContact CD1-SD 3.98Å; I588-C656 HydrophobicContact CD1-CB 4.15Å; I588-F657 HydrophobicContact CG1-CB 3.78Å; I588-F657 HydrophobicContact CG1-CD2 4.16Å; I588-F657 HydrophobicContact CG1-CG 4.48Å; I588-E660 HydrophobicContact CG2-CG 4.28Å
589A80.9Confident77.7Confident7 Ų726.7 Ų26.76%0.05814%0.141CC..Hα-helixtrans-65.3-40.2179.800000112.7L585 L586 L587 S593 F601L585-A589 WeakPolarHBondContact O-CB 3.23Å; L585-A589 PolarHBondContact O-N 3.34Å; L586-A589 WeakPolarHBondContact O-CB 3.32Å; L586-A589 PolarHBondContact O-N 2.64Å; L586-A589 VanDerWaalsContact O-N 3.13Å; L587-A589 VanDerWaalsContact C-N 3.34Å; L587-A589 PolarHBondContact O-N 3.18Å; A589-S593 VanDerWaalsContact O-CB 3.3Å; A589-S593 WeakPolarHBondContact O-CB 3.42Å; A589-S593 PolarHBondContact O-N 3.32Å; A589-S593 PolarHBondContact O-OG 3.37Å; A589-F601 HydrophobicContact CB-CD1 3.69Å; A589-F601 HydrophobicContact CB-CE1 3.47Å; A589-F601 VanDerWaalsContact CB-CE1 3.47Å; A589-F601 HydrophobicContact CB-CE2 4.35Å; A589-F601 HydrophobicContact CB-CG 4.22Å; A589-F601 HydrophobicContact CB-CZ 3.84Å
590V80.8Confident75.9Confident2 Ų231.6 Ų31.61%0.01217%0.167CC..Hα-helixtrans-61.2-45.5176.7165.70000110.9L586 L587 I598 F680 F729 Y739L586-V590 HydrophobicContact CD1-CG2 4.3Å; L586-V590 HydrophobicContact CG-CG2 4.35Å; L586-V590 WeakPolarHBondContact O-CB 3.33Å; L586-V590 WeakPolarHBondContact O-CG2 3.44Å; L586-V590 PolarHBondContact O-N 2.89Å; L587-V590 PolarHBondContact O-N 3.48Å; V590-I598 HydrophobicContact CG2-CD1 4.25Å; V590-F680 HydrophobicContact CG1-CE1 4.21Å; V590-F680 HydrophobicContact CG1-CZ 4.2Å; V590-F729 HydrophobicContact CG2-CZ 3.85Å; V590-Y739 WeakPolarHBondContact CA-OH 3.39Å; V590-Y739 HydrophobicContact CG1-CE2 3.83Å; V590-Y739 WeakPolarHBondContact CG1-OH 3.25Å; V590-Y739 PolarHBondContact O-OH 3.49Å
591V84.6Confident73.9Confident1 Ų132 Ų321%0.00617%0.168CC..Hα-helixtrans-71-45179.1170.40000111.6L587 I588 S593 W594 F657 E660 L661 A664 F680L587-V591 WeakPolarHBondContact O-CG2 3.41Å; L587-V591 PolarHBondContact O-N 3.45Å; L587-V591 VanDerWaalsContact O-N 3.12Å; I588-V591 PolarHBondContact O-N 3.36Å; V591-S593 PolarHBondContact O-N 2.78Å; V591-W594 WeakPolarHBondContact O-CB 3.36Å; V591-W594 PolarHBondContact O-N 3.46Å; V591-F657 HydrophobicContact CB-CE2 4.46Å; V591-F657 HydrophobicContact CG2-CD2 4.23Å; V591-F657 HydrophobicContact CG2-CE2 3.5Å; V591-F657 VanDerWaalsContact CG2-CE2 3.5Å; V591-F657 HydrophobicContact CG2-CZ 3.91Å; V591-E660 HydrophobicContact CG1-CB 4.21Å; V591-L661 HydrophobicContact CG1-CB 3.89Å; V591-L661 HydrophobicContact CG1-CD1 4.02Å; V591-L661 VanDerWaalsContact CG1-N 3.32Å; V591-L661 HydrophobicContact CG2-CD1 4.33Å; V591-A664 HydrophobicContact CG1-CB 4Å; V591-F680 HydrophobicContact CG2-CD1 4.43Å; V591-F680 HydrophobicContact CG2-CE1 3.96Å
592K78.8Confident72.2Confident24 Ų2439.8 Ų39.810%0.10421%0.206CC..Hα-helixtrans-68.9-35.2-175.6178.6178.3171.9-149.10113.6I588 W594 F601 Y607 E660I588-K592 VanDerWaalsContact O-CB 3.24Å; I588-K592 WeakPolarHBondContact O-CB 3.39Å; I588-K592 PolarHBondContact O-N 3.41Å; K592-W594 PolarHBondContact O-N 2.94Å; K592-F601 HydrophobicContact CD-CD2 3.93Å; K592-F601 HydrophobicContact CD-CE2 3.69Å; K592-Y607 HydrophobicContact CD-CD1 4.41Å; K592-Y607 HydrophobicContact CD-CE1 3.95Å; K592-Y607 VanDerWaalsContact CE-CZ 3.48Å; K592-Y607 VanDerWaalsContact NZ-CG 3.25Å; K592-E660 HydrophobicContact CB-CB 4.3Å; K592-E660 HydrophobicContact CB-CG 4.28Å; K592-E660 HydrophobicContact CD-CG 4.45Å; K592-E660 WeakPolarHBondContact CG-OE2 3.49Å
593S70.1Confident70.5Confident6 Ų644.1 Ų44.14%0.04224%0.236CC..Hα-helixtrans-75.5-14.6-179.2-52.70000111.6A589 V591 P595 S596 I598 F601A589-S593 VanDerWaalsContact O-CB 3.3Å; A589-S593 WeakPolarHBondContact O-CB 3.42Å; A589-S593 PolarHBondContact O-N 3.32Å; A589-S593 PolarHBondContact O-OG 3.37Å; V591-S593 PolarHBondContact O-N 2.78Å; S593-P595 CarbonylContact O-C 3.52Å; S593-S596 CarbonylContact C-O 3.55Å; S593-S596 CarbonylContact O-C 3.52Å; S593-S596 VanDerWaalsContact O-CA 3.3Å; S593-S596 WeakPolarHBondContact O-CA 3.47Å; S593-S596 PolarHBondContact O-N 3.41Å; S593-S596 PolarHBondContact O-OG 3.16Å; S593-I598 VanDerWaalsContact CB-CG1 3.45Å; S593-I598 WeakPolarHBondContact OG-CG1 3.27Å; S593-F601 WeakPolarHBondContact OG-CB 3.32Å
594W67.7Low68.9Low8 Ų850.3 Ų50.33%0.0326%0.263CS..THydrogen-bonded Turntrans-55128.1177.7-168-81.2000112.3V591 K592 A664 E668 R673 F676 L677 Y739V591-W594 WeakPolarHBondContact O-CB 3.36Å; V591-W594 PolarHBondContact O-N 3.46Å; K592-W594 PolarHBondContact O-N 2.94Å; W594-A664 HydrophobicContact CB-CB 4.38Å; W594-E668 PolarHBondContact NE1-OE2 3.45Å; W594-R673 HydrophobicContact CZ2-CB 4.16Å; W594-R673 HydrophobicContact CZ2-CG 4.24Å; W594-F676 AromaticContact CH2-CD1 3.85Å; W594-F676 HydrophobicContact CH2-CD1 3.85Å; W594-F676 AromaticContact CH2-CE1 3.94Å; W594-F676 HydrophobicContact CH2-CE1 3.94Å; W594-F676 HydrophobicContact CZ3-CD1 4.22Å; W594-F676 AromaticContact CZ3-CE1 3.9Å; W594-F676 HydrophobicContact CZ3-CE1 3.9Å; W594-L677 HydrophobicContact CD2-CD1 4.26Å; W594-L677 HydrophobicContact CD2-CD2 3.85Å; W594-L677 HydrophobicContact CD2-CG 4.26Å; W594-L677 HydrophobicContact CE3-CD2 4Å; W594-L677 HydrophobicContact CG-CD1 4.16Å; W594-L677 HydrophobicContact CG-CD2 4.09Å; W594-L677 HydrophobicContact CZ2-CG 4.47Å; W594-L677 HydrophobicContact CZ3-CD2 4.46Å; W594-Y739 AromaticContact CE3-CD2 3.72Å; W594-Y739 HydrophobicContact CE3-CD2 3.72Å; W594-Y739 AromaticContact CE3-CE2 3.43Å; W594-Y739 HydrophobicContact CE3-CE2 3.43Å; W594-Y739 VanDerWaalsContact CE3-CE2 3.43Å; W594-Y739 HydrophobicContact CE3-CG 4.45Å; W594-Y739 HydrophobicContact CH2-CD2 4.08Å; W594-Y739 AromaticContact CZ3-CD2 3.14Å; W594-Y739 HydrophobicContact CZ3-CD2 3.14Å; W594-Y739 AromaticContact CZ3-CE2 3.36Å; W594-Y739 HydrophobicContact CZ3-CE2 3.36Å; W594-Y739 AromaticContact CZ3-CG 3.89Å; W594-Y739 HydrophobicContact CZ3-CG 3.89Å
595P58.8Low67.5Low77 Ų7761.4 Ų61.450%0.531%0.305SS..THydrogen-bonded Turncis-952.6-0.933.2-27.4000114.4S593S593-P595 CarbonylContact O-C 3.52Å
596S57.1Low66.4Low61 Ų6171.2 Ų71.243%0.42734%0.34SS..SBendtrans-78.6154.3-176.863.10000114.8S593 I598S593-S596 CarbonylContact C-O 3.55Å; S593-S596 CarbonylContact O-C 3.52Å; S593-S596 VanDerWaalsContact O-CA 3.3Å; S593-S596 WeakPolarHBondContact O-CA 3.47Å; S593-S596 PolarHBondContact O-N 3.41Å; S593-S596 PolarHBondContact O-OG 3.16Å; S596-I598 PolarHBondContact O-N 2.93Å
597S55.6Low65.5Low64 Ų6473.9 Ų73.945%0.44835%0.35SS..  trans-54.6129.7177.4-175.20000112.9R599 N600S597-R599 PolarHBondContact O-N 3.12Å; S597-N600 PolarHBondContact O-N 3.05Å; S597-N600 VanDerWaalsContact O-N 3.09Å
598I54.5Low64.5Low25 Ų2575.4 Ų75.413%0.12837%0.366CS..THydrogen-bonded Turntrans-55.3-15.9175.5-78.8160.2000113V533 V590 S593 S596 N600 F601 Y739V533-I598 HydrophobicContact CB-CD1 4.44Å; V533-I598 HydrophobicContact CG1-CD1 4.39Å; V533-I598 HydrophobicContact CG2-CB 3.8Å; V533-I598 HydrophobicContact CG2-CD1 3.25Å; V533-I598 HydrophobicContact CG2-CG1 4.06Å; V533-I598 HydrophobicContact CG2-CG2 3.62Å; V590-I598 HydrophobicContact CG2-CD1 4.25Å; S593-I598 VanDerWaalsContact CB-CG1 3.45Å; S593-I598 WeakPolarHBondContact OG-CG1 3.27Å; S596-I598 PolarHBondContact O-N 2.93Å; I598-N600 PolarHBondContact O-N 3.19Å; I598-N600 VanDerWaalsContact O-N 3.08Å; I598-F601 WeakPolarHBondContact O-CB 3.45Å; I598-F601 PolarHBondContact O-N 3.4Å; I598-Y739 HydrophobicContact CD1-CE1 4.47Å
599R53.6Low63.9Low206 Ų20677 Ų7778%0.77738%0.384SS*.Hα-helixtrans-52.9-30.8172.8-144.6-179.5-77.5-165.5-2.2112.1S597S597-R599 PolarHBondContact O-N 3.12Å
600N54.1Low63.7Low102 Ų10279.8 Ų79.855%0.54540%0.396SS..Hα-helixtrans-80-16.9177-74-15.2000114.7S597 I598S597-N600 PolarHBondContact O-N 3.05Å; S597-N600 VanDerWaalsContact O-N 3.09Å; I598-N600 PolarHBondContact O-N 3.19Å; I598-N600 VanDerWaalsContact O-N 3.08Å
601F49.1Very low63.6Low35 Ų3580.6 Ų80.615%0.15440%0.403CS..Hα-helixtrans-76.4-42.4-178.7177.9-98.5000112.1A589 K592 S593 I598 S603 K604 Y607A589-F601 HydrophobicContact CB-CD1 3.69Å; A589-F601 HydrophobicContact CB-CE1 3.47Å; A589-F601 VanDerWaalsContact CB-CE1 3.47Å; A589-F601 HydrophobicContact CB-CE2 4.35Å; A589-F601 HydrophobicContact CB-CG 4.22Å; A589-F601 HydrophobicContact CB-CZ 3.84Å; K592-F601 HydrophobicContact CD-CD2 3.93Å; K592-F601 HydrophobicContact CD-CE2 3.69Å; S593-F601 WeakPolarHBondContact OG-CB 3.32Å; I598-F601 WeakPolarHBondContact O-CB 3.45Å; I598-F601 PolarHBondContact O-N 3.4Å; F601-S603 PolarHBondContact O-N 3.22Å; F601-K604 PolarHBondContact O-N 3.42Å; F601-Y607 HydrophobicContact CE2-CD1 4.09Å; F601-Y607 AromaticContact CE2-CG 3.98Å; F601-Y607 HydrophobicContact CE2-CG 3.98Å; F601-Y607 HydrophobicContact CZ-CD1 4.39Å; F601-Y607 HydrophobicContact CZ-CG 4.32Å
602M52.2Low63.4Low167 Ų16785.3 Ų85.382%0.82343%0.427SS*.Hα-helixtrans-62.9-27.4176.8-70.4-73.1-78.800112.5K604M602-K604 VanDerWaalsContact C-N 3.34Å
603S52.9Low63.8Low93 Ų9388.1 Ų88.165%0.6545%0.446SS*.Hα-helixtrans-70-26.6175.3166.80000113.2F601 R605F601-S603 PolarHBondContact O-N 3.22Å; S603-R605 PolarHBondContact O-N 3.47Å
604K57.9Low64.6Low130 Ų13088.3 Ų88.357%0.56545%0.447SS*.  trans-81.592-177.4-74.4-175.7179.2177.60111.5F601 M602 R606 Y607F601-K604 PolarHBondContact O-N 3.42Å; M602-K604 VanDerWaalsContact C-N 3.34Å; K604-R606 PolarHBondContact O-N 2.86Å; K604-Y607 PolarHBondContact O-N 3.16Å; K604-Y607 VanDerWaalsContact O-N 3.13Å
605R59.3Low65.4Low238 Ų23890.4 Ų90.490%0.89846%0.458SS*.Hα-helixtrans-42.3-31.7-179.4-158.6172.9-173.2169.71.8115.9S603 G609S603-R605 PolarHBondContact O-N 3.47Å; R605-G609 PolarHBondContact O-N 3.48Å
606R65.5Low66.9Low228 Ų22892.1 Ų92.186%0.8646%0.461SS*.Hα-helixtrans-65-37.6-179.1-87.3-173.8177.9160.90.7114.4K604K604-R606 PolarHBondContact O-N 2.86Å
607Y65.8Low68.4Low70 Ų7092.7 Ų92.728%0.27546%0.459SS..Hα-helixtrans-89.5-32.6-174.6-72.8-104.6000112.3K592 F601 K604 G609 M610 A611 E660K592-Y607 HydrophobicContact CD-CD1 4.41Å; K592-Y607 HydrophobicContact CD-CE1 3.95Å; K592-Y607 VanDerWaalsContact CE-CZ 3.48Å; K592-Y607 VanDerWaalsContact NZ-CG 3.25Å; F601-Y607 HydrophobicContact CE2-CD1 4.09Å; F601-Y607 AromaticContact CE2-CG 3.98Å; F601-Y607 HydrophobicContact CE2-CG 3.98Å; F601-Y607 HydrophobicContact CZ-CD1 4.39Å; F601-Y607 HydrophobicContact CZ-CG 4.32Å; K604-Y607 PolarHBondContact O-N 3.16Å; K604-Y607 VanDerWaalsContact O-N 3.13Å; Y607-G609 VanDerWaalsContact C-N 3.28Å; Y607-G609 PolarHBondContact O-N 2.81Å; Y607-M610 HydrophobicContact CD1-CE 4.36Å; Y607-M610 PolarHBondContact O-N 2.96Å; Y607-A611 WeakPolarHBondContact O-CB 3.5Å; Y607-A611 PolarHBondContact O-N 3.35Å; Y607-E660 PolarHBondContact OH-OE1 2.98Å
608G68.2Low69.9Low36 Ų3690.2 Ų90.237%0.37144%0.44SS..Hα-helixtrans-58.8-40.4171.400000112.2A611 I612G608-A611 PolarHBondContact O-N 2.93Å; G608-I612 WeakPolarHBondContact O-CD1 3.26Å; G608-I612 VanDerWaalsContact O-CG1 3.27Å; G608-I612 WeakPolarHBondContact O-CG1 3.41Å; G608-I612 PolarHBondContact O-N 3.06Å; G608-I612 VanDerWaalsContact O-N 3.08Å
609G74.8Confident71.4Confident37 Ų3791.7 Ų91.738%0.38145%0.447SS..Hα-helixtrans-61.9-47174.700000113.1R605 Y607 A611 I612 V613R605-G609 PolarHBondContact O-N 3.48Å; Y607-G609 VanDerWaalsContact C-N 3.28Å; Y607-G609 PolarHBondContact O-N 2.81Å; G609-A611 PolarHBondContact O-N 3.18Å; G609-I612 PolarHBondContact O-N 2.88Å; G609-V613 WeakPolarHBondContact O-CG2 3.36Å; G609-V613 PolarHBondContact O-N 2.74Å; G609-V613 VanDerWaalsContact O-N 3.08Å
610M77.1Confident73.1Confident66 Ų6685.6 Ų85.633%0.32543%0.433SS..Hα-helixtrans-62.2-43.3177.5-173176.777.800111.8Y607 I612 V613 C614 M653Y607-M610 HydrophobicContact CD1-CE 4.36Å; Y607-M610 PolarHBondContact O-N 2.96Å; M610-I612 PolarHBondContact O-N 2.65Å; M610-V613 PolarHBondContact O-N 2.81Å; M610-C614 WeakPolarHBondContact O-CB 3.45Å; M610-C614 PolarHBondContact O-N 2.87Å; M610-C614 PolarHBondContact O-SG 2.88Å; M610-C614 VanDerWaalsContact O-SG 3.35Å; M610-M653 HydrophobicContact CE-CE 4.22Å; M610-M653 HydrophobicContact SD-CE 4.43Å
611A77.3Confident74.7Confident18 Ų1882 Ų8215%0.14941%0.412CS..Hα-helixtrans-57.5-46.3176.900000112.2L585 Y607 G608 G609 C614 M615L585-A611 HydrophobicContact CD1-CB 3.73Å; L585-A611 HydrophobicContact CD2-CB 3.95Å; L585-A611 HydrophobicContact CG-CB 4.41Å; Y607-A611 WeakPolarHBondContact O-CB 3.5Å; Y607-A611 PolarHBondContact O-N 3.35Å; G608-A611 PolarHBondContact O-N 2.93Å; G609-A611 PolarHBondContact O-N 3.18Å; A611-C614 PolarHBondContact O-N 3.19Å; A611-M615 HydrophobicContact CB-CE 4.1Å; A611-M615 WeakPolarHBondContact O-CB 3.13Å; A611-M615 VanDerWaalsContact O-CE 3.31Å; A611-M615 WeakPolarHBondContact O-CE 3.42Å; A611-M615 WeakPolarHBondContact O-CG 3.41Å; A611-M615 PolarHBondContact O-N 3.05Å
612I81.8Confident76.2Confident100 Ų10080.9 Ų80.951%0.51341%0.409SS..Hα-helixtrans-62.7-45.7177.8-67.4164.4000110.7G608 G609 M610 M615 M616G608-I612 WeakPolarHBondContact O-CD1 3.26Å; G608-I612 VanDerWaalsContact O-CG1 3.27Å; G608-I612 WeakPolarHBondContact O-CG1 3.41Å; G608-I612 PolarHBondContact O-N 3.06Å; G608-I612 VanDerWaalsContact O-N 3.08Å; G609-I612 PolarHBondContact O-N 2.88Å; M610-I612 PolarHBondContact O-N 2.65Å; I612-M615 PolarHBondContact O-N 2.8Å; I612-M616 HydrophobicContact CG2-CG 4.29Å; I612-M616 WeakPolarHBondContact O-CB 3.38Å; I612-M616 WeakPolarHBondContact O-CG 3.36Å; I612-M616 PolarHBondContact O-N 3.18Å
613V86.4Confident77.7Confident83 Ų8375.5 Ų75.550%0.50339%0.387SS..Hα-helixtrans-62-45.8179.1173.10000111.1G609 M610 M615 M616 L617G609-V613 WeakPolarHBondContact O-CG2 3.36Å; G609-V613 PolarHBondContact O-N 2.74Å; G609-V613 VanDerWaalsContact O-N 3.08Å; M610-V613 PolarHBondContact O-N 2.81Å; V613-M615 PolarHBondContact O-N 3.39Å; V613-M616 PolarHBondContact O-N 3Å; V613-L617 HydrophobicContact CG1-CD1 3.91Å; V613-L617 HydrophobicContact CG1-CG 4.34Å; V613-L617 WeakPolarHBondContact O-CB 3.43Å; V613-L617 WeakPolarHBondContact O-CG 3.37Å; V613-L617 PolarHBondContact O-N 2.88Å
614C86.7Confident79.1Confident11 Ų1173.5 Ų73.57%0.07437%0.371CS..Hα-helixtrans-62.3-43.3177.8-70.60000112.2M581 M610 A611 L617 Q618 M649M581-C614 HydrophobicContact SD-CB 4.16Å; M610-C614 WeakPolarHBondContact O-CB 3.45Å; M610-C614 PolarHBondContact O-N 2.87Å; M610-C614 PolarHBondContact O-SG 2.88Å; M610-C614 VanDerWaalsContact O-SG 3.35Å; A611-C614 PolarHBondContact O-N 3.19Å; C614-L617 PolarHBondContact O-N 3.14Å; C614-Q618 WeakPolarHBondContact O-CB 3.39Å; C614-Q618 PolarHBondContact O-N 3.28Å; C614-M649 HydrophobicContact CB-SD 3.91Å; C614-M649 WeakPolarHBondContact O-CE 3.32Å
615M85Confident79.7Confident52 Ų5267.7 Ų67.726%0.25635%0.347SS..Hα-helixtrans-62.3-45175.5-75.7-175.4-85.800111.8M581 L585 A611 I612 V613 Q618 I619M581-M615 HydrophobicContact CG-CG 3.99Å; L585-M615 HydrophobicContact CD1-CE 4.03Å; L585-M615 HydrophobicContact CD1-CG 4.08Å; L585-M615 HydrophobicContact CD1-SD 4.38Å; A611-M615 HydrophobicContact CB-CE 4.1Å; A611-M615 WeakPolarHBondContact O-CB 3.13Å; A611-M615 VanDerWaalsContact O-CE 3.31Å; A611-M615 WeakPolarHBondContact O-CE 3.42Å; A611-M615 WeakPolarHBondContact O-CG 3.41Å; A611-M615 PolarHBondContact O-N 3.05Å; I612-M615 PolarHBondContact O-N 2.8Å; V613-M615 PolarHBondContact O-N 3.39Å; M615-Q618 PolarHBondContact O-N 2.53Å; M615-I619 VanDerWaalsContact O-CG1 3.31Å; M615-I619 WeakPolarHBondContact O-CG1 3.33Å; M615-I619 PolarHBondContact O-N 3.28Å
616M89.6Confident80.2Confident113 Ų11358.6 Ų58.656%0.55732%0.323SS*.Hα-helixtrans-63.3-44.6178.6-70.8-69.2148.300112.2I612 V613 Q618 I619 V620I612-M616 HydrophobicContact CG2-CG 4.29Å; I612-M616 WeakPolarHBondContact O-CB 3.38Å; I612-M616 WeakPolarHBondContact O-CG 3.36Å; I612-M616 PolarHBondContact O-N 3.18Å; V613-M616 PolarHBondContact O-N 3Å; M616-Q618 VanDerWaalsContact C-N 3.33Å; M616-Q618 PolarHBondContact O-N 3.37Å; M616-I619 PolarHBondContact O-N 2.71Å; M616-V620 WeakPolarHBondContact O-CG2 3.45Å; M616-V620 PolarHBondContact O-N 3.05Å
617L90.2Very high80.1Confident73 Ų7350.7 Ų50.738%0.38231%0.312SS..Hα-helixtrans-62-41.6175.9-72.6174.4000111.6V613 C614 I619 V620 F621 M649V613-L617 HydrophobicContact CG1-CD1 3.91Å; V613-L617 HydrophobicContact CG1-CG 4.34Å; V613-L617 WeakPolarHBondContact O-CB 3.43Å; V613-L617 WeakPolarHBondContact O-CG 3.37Å; V613-L617 PolarHBondContact O-N 2.88Å; C614-L617 PolarHBondContact O-N 3.14Å; L617-I619 VanDerWaalsContact C-N 3.34Å; L617-I619 PolarHBondContact O-N 3.35Å; L617-V620 PolarHBondContact O-N 2.94Å; L617-F621 HydrophobicContact CB-CE2 3.98Å; L617-F621 HydrophobicContact CB-CZ 4.2Å; L617-F621 HydrophobicContact CD2-CZ 4.33Å; L617-F621 VanDerWaalsContact O-CD2 3.23Å; L617-F621 WeakPolarHBondContact O-CD2 3.39Å; L617-F621 WeakPolarHBondContact O-CG 3.48Å; L617-F621 PolarHBondContact O-N 2.98Å; L617-M649 HydrophobicContact CB-SD 4.21Å
618Q85.5Confident79.6Confident12 Ų1249.1 Ų49.16%0.05631%0.31CS..Hα-helixtrans-62.7-41.3177.7-169.2582400112.2S577 M581 C614 M615 M616 F621 T622 S646 M649S577-Q618 WeakPolarHBondContact OG-CG 3.47Å; S577-Q618 PolarHBondContact OG-NE2 3.46Å; M581-Q618 HydrophobicContact CB-CG 4.47Å; M581-Q618 HydrophobicContact CE-CB 4.36Å; M581-Q618 HydrophobicContact CE-CG 4.14Å; C614-Q618 WeakPolarHBondContact O-CB 3.39Å; C614-Q618 PolarHBondContact O-N 3.28Å; M615-Q618 PolarHBondContact O-N 2.53Å; M616-Q618 VanDerWaalsContact C-N 3.33Å; M616-Q618 PolarHBondContact O-N 3.37Å; Q618-F621 PolarHBondContact O-N 3.09Å; Q618-T622 WeakPolarHBondContact O-CB 3.24Å; Q618-T622 PolarHBondContact O-N 2.76Å; Q618-T622 PolarHBondContact O-OG1 2.77Å; Q618-S646 VanDerWaalsContact CD-OG 3.26Å; Q618-S646 PolarHBondContact NE2-OG 2.74Å; Q618-S646 PolarHBondContact OE1-OG 2.89Å; Q618-M649 HydrophobicContact CB-CE 3.55Å; Q618-M649 HydrophobicContact CG-CE 4.14Å
619I87.7Confident78.8Confident55 Ų5550.5 Ų50.528%0.28231%0.311SS..Hα-helixtrans-61.2-47.4175-68.8167.7000110.1L574 M615 M616 L617 F621 T622 C623L574-I619 HydrophobicContact CD2-CB 4.45Å; L574-I619 HydrophobicContact CD2-CG2 3.99Å; M615-I619 VanDerWaalsContact O-CG1 3.31Å; M615-I619 WeakPolarHBondContact O-CG1 3.33Å; M615-I619 PolarHBondContact O-N 3.28Å; M616-I619 PolarHBondContact O-N 2.71Å; L617-I619 VanDerWaalsContact C-N 3.34Å; L617-I619 PolarHBondContact O-N 3.35Å; I619-F621 PolarHBondContact O-N 3.27Å; I619-T622 PolarHBondContact O-N 3.12Å; I619-C623 WeakPolarHBondContact O-CB 3.39Å; I619-C623 PolarHBondContact O-N 3.29Å; I619-C623 PolarHBondContact O-SG 2.7Å; I619-C623 VanDerWaalsContact O-SG 3.38Å
620V89Confident77.2Confident78 Ų7851.6 Ų51.647%0.47331%0.306SS..Hα-helixtrans-59.1-47.6176.6172.20000110.9M616 L617 T622 C623 V624M616-V620 WeakPolarHBondContact O-CG2 3.45Å; M616-V620 PolarHBondContact O-N 3.05Å; L617-V620 PolarHBondContact O-N 2.94Å; V620-T622 VanDerWaalsContact C-N 3.31Å; V620-T622 PolarHBondContact O-N 3.33Å; V620-C623 PolarHBondContact O-N 2.84Å; V620-V624 HydrophobicContact CG1-CG2 4.23Å; V620-V624 WeakPolarHBondContact O-CB 3.37Å; V620-V624 VanDerWaalsContact O-CG2 3.25Å; V620-V624 WeakPolarHBondContact O-CG2 3.45Å; V620-V624 PolarHBondContact O-N 3.45Å
621F86.2Confident75.5Confident26 Ų2652.4 Ų52.411%0.11431%0.309CS..Hα-helixtrans-62.1-39.1178.8-61.4-30.2000112.2L617 Q618 I619 A625 W641 P642 M645L617-F621 HydrophobicContact CB-CE2 3.98Å; L617-F621 HydrophobicContact CB-CZ 4.2Å; L617-F621 HydrophobicContact CD2-CZ 4.33Å; L617-F621 VanDerWaalsContact O-CD2 3.23Å; L617-F621 WeakPolarHBondContact O-CD2 3.39Å; L617-F621 WeakPolarHBondContact O-CG 3.48Å; L617-F621 PolarHBondContact O-N 2.98Å; Q618-F621 PolarHBondContact O-N 3.09Å; I619-F621 PolarHBondContact O-N 3.27Å; F621-A625 WeakPolarHBondContact O-CB 3.48Å; F621-A625 PolarHBondContact O-N 3.1Å; F621-W641 HydrophobicContact CD1-CH2 4.3Å; F621-W641 HydrophobicContact CD1-CZ3 4.02Å; F621-W641 HydrophobicContact CE1-CH2 4.38Å; F621-W641 AromaticContact CE1-CZ3 3.92Å; F621-W641 HydrophobicContact CE1-CZ3 3.92Å; F621-P642 HydrophobicContact CB-CB 4.03Å; F621-P642 HydrophobicContact CD1-CB 4.48Å; F621-P642 WeakPolarHBondContact O-CB 3.46Å; F621-M645 HydrophobicContact CD1-CB 4.14Å; F621-M645 HydrophobicContact CD2-CB 3.98Å; F621-M645 HydrophobicContact CE1-CB 3.77Å; F621-M645 HydrophobicContact CE1-CG 4.18Å; F621-M645 HydrophobicContact CE2-CB 3.58Å; F621-M645 HydrophobicContact CG-CB 4.26Å; F621-M645 HydrophobicContact CZ-CB 3.48Å; F621-M645 VanDerWaalsContact CZ-CB 3.48Å; F621-M645 HydrophobicContact CZ-CG 4.16Å
622T80.9Confident73.8Confident12 Ų1253.3 Ų53.37%0.07431%0.308CS..Hα-helixtrans-66.3-45.8177.6-520000111D573 L574 S577 Q618 I619 V620 A625 A626D573-T622 HydrophobicContact CB-CG2 4.28Å; L574-T622 HydrophobicContact CD2-CG2 3.85Å; L574-T622 HydrophobicContact CG-CG2 4.15Å; S577-T622 PolarHBondContact OG-OG1 3.16Å; Q618-T622 WeakPolarHBondContact O-CB 3.24Å; Q618-T622 PolarHBondContact O-N 2.76Å; Q618-T622 PolarHBondContact O-OG1 2.77Å; I619-T622 PolarHBondContact O-N 3.12Å; V620-T622 VanDerWaalsContact C-N 3.31Å; V620-T622 PolarHBondContact O-N 3.33Å; T622-A625 PolarHBondContact O-N 3.18Å; T622-A626 PolarHBondContact O-N 3.4Å
623C83.7Confident72.3Confident55 Ų5551 Ų5137%0.37230%0.296SS..Hα-helixtrans-62.6-43.7176.1-71.80000112.5I619 V620 A626 G627I619-C623 WeakPolarHBondContact O-CB 3.39Å; I619-C623 PolarHBondContact O-N 3.29Å; I619-C623 PolarHBondContact O-SG 2.7Å; I619-C623 VanDerWaalsContact O-SG 3.38Å; V620-C623 PolarHBondContact O-N 2.84Å; C623-A626 PolarHBondContact O-N 3.19Å; C623-G627 PolarHBondContact O-N 3.03Å; C623-G627 VanDerWaalsContact O-N 3.08Å
624V81.8Confident70.5Confident51 Ų5148 Ų4831%0.30928%0.278SS..Hα-helixtrans-67.1-42.1177.5177.80000110.4V620 A626 G627 T628 W641 P642V620-V624 HydrophobicContact CG1-CG2 4.23Å; V620-V624 WeakPolarHBondContact O-CB 3.37Å; V620-V624 VanDerWaalsContact O-CG2 3.25Å; V620-V624 WeakPolarHBondContact O-CG2 3.45Å; V620-V624 PolarHBondContact O-N 3.45Å; V624-A626 VanDerWaalsContact C-N 3.3Å; V624-A626 PolarHBondContact O-N 3.4Å; V624-G627 CarbonylContact O-C 3.58Å; V624-G627 PolarHBondContact O-N 3.5Å; V624-G627 VanDerWaalsContact O-N 3.1Å; V624-T628 HydrophobicContact CG1-CG2 4.33Å; V624-T628 WeakPolarHBondContact O-CG2 3.5Å; V624-T628 PolarHBondContact O-N 3.28Å; V624-T628 PolarHBondContact O-OG1 3.47Å; V624-W641 HydrophobicContact CG1-CH2 4.48Å; V624-W641 HydrophobicContact CG1-CZ2 3.7Å; V624-P642 HydrophobicContact CB-CB 4.47Å; V624-P642 HydrophobicContact CB-CG 3.99Å; V624-P642 HydrophobicContact CG1-CG 3.56Å
625A71.9Confident68.9Low7 Ų747.8 Ų47.86%0.05828%0.277CS..Hα-helixtrans-58.6-42.2176.500000111.6F621 T622 G627 T628 H636 P642F621-A625 WeakPolarHBondContact O-CB 3.48Å; F621-A625 PolarHBondContact O-N 3.1Å; T622-A625 PolarHBondContact O-N 3.18Å; A625-G627 VanDerWaalsContact C-N 3.31Å; A625-G627 PolarHBondContact O-N 2.85Å; A625-T628 WeakPolarHBondContact CA-OG1 3.46Å; A625-T628 PolarHBondContact O-N 2.75Å; A625-T628 PolarHBondContact O-OG1 3.21Å; A625-H636 HydrophobicContact CB-CB 4.38Å; A625-P642 HydrophobicContact CB-CB 4.22Å
626A69.2Low67.6Low48 Ų4846.9 Ų46.940%0.39727%0.272SS..Hα-helixtrans-66.1-32.1175.600000113.3L570 T622 C623 V624L570-A626 HydrophobicContact CD1-CB 3.54Å; T622-A626 PolarHBondContact O-N 3.4Å; C623-A626 PolarHBondContact O-N 3.19Å; V624-A626 VanDerWaalsContact C-N 3.3Å; V624-A626 PolarHBondContact O-N 3.4Å
627G62.8Low66.1Low61 Ų6143.1 Ų43.163%0.62925%0.253SS*.Hα-helixtrans-77.5-23.4173.600000113.7C623 V624 A625 T629C623-G627 PolarHBondContact O-N 3.03Å; C623-G627 VanDerWaalsContact O-N 3.08Å; V624-G627 CarbonylContact O-C 3.58Å; V624-G627 PolarHBondContact O-N 3.5Å; V624-G627 VanDerWaalsContact O-N 3.1Å; A625-G627 VanDerWaalsContact C-N 3.31Å; A625-G627 PolarHBondContact O-N 2.85Å; G627-T629 PolarHBondContact O-N 3.36Å
628T56.7Low64.6Low37 Ų3741.4 Ų41.423%0.22724%0.244CC..SBendtrans-76119.9170.857.40000109V624 A625 F630V624-T628 HydrophobicContact CG1-CG2 4.33Å; V624-T628 WeakPolarHBondContact O-CG2 3.5Å; V624-T628 PolarHBondContact O-N 3.28Å; V624-T628 PolarHBondContact O-OG1 3.47Å; A625-T628 WeakPolarHBondContact CA-OG1 3.46Å; A625-T628 PolarHBondContact O-N 2.75Å; A625-T628 PolarHBondContact O-OG1 3.21Å; T628-F630 PolarHBondContact O-N 2.83Å
629T50Low63.4Low66 Ų6645.3 Ų45.341%0.40526%0.262SS..SBendtrans-60.419.9-172.451.70000116.3R303 G627 Q631R303-T629 PolarHBondContact NE-OG1 3.38Å; R303-T629 VanDerWaalsContact NE-OG1 3.14Å; G627-T629 PolarHBondContact O-N 3.36Å; T629-Q631 PolarHBondContact O-N 3.22Å
630F42.1Very low62.4Low60 Ų6043 Ų4326%0.26325%0.251SS..  trans-90.384175.8-71-83.4000109.1T628 Y632 T640T628-F630 PolarHBondContact O-N 2.83Å; F630-Y632 PolarHBondContact O-N 3.43Å; F630-T640 HydrophobicContact CB-CG2 3.96Å; F630-T640 HydrophobicContact CD2-CG2 3.76Å; F630-T640 HydrophobicContact CG-CG2 4.05Å
631Q41.4Very low61.8Low83 Ų8346 Ų4639%0.38825%0.254SS..  trans-75.726-173.5-122.3179-10.600115.3R501 T629R501-Q631 PolarHBondContact NH2-O 3.35Å; T629-Q631 PolarHBondContact O-N 3.22Å
632Y42.2Very low61.5Low37 Ų3744.9 Ų44.915%0.14525%0.249CC..  trans-110.677.7172.5-64-81.3000109.5I304 L306 F630 L635I304-Y632 HydrophobicContact CB-CE2 4.29Å; I304-Y632 HydrophobicContact CG2-CE2 4.16Å; L306-Y632 HydrophobicContact CD1-CD1 4.46Å; L306-Y632 HydrophobicContact CD1-CE1 3.49Å; L306-Y632 VanDerWaalsContact CD1-CE1 3.49Å; L306-Y632 HydrophobicContact CD1-CE2 4.19Å; L306-Y632 WeakPolarHBondContact CD1-OH 3.33Å; F630-Y632 PolarHBondContact O-N 3.43Å; Y632-L635 WeakPolarHBondContact O-CA 3.42Å; Y632-L635 WeakPolarHBondContact O-CB 3.46Å; Y632-L635 PolarHBondContact O-N 2.9Å
633I49.2Very low61.4Low50 Ų5044.3 Ų44.326%0.25625%0.245SC..THydrogen-bonded Turntrans-89.680.5177.6-57.2171.3000107.2Y707I633-Y707 WeakPolarHBondContact O-CE2 3.45Å
634P49.1Very low61.2Low20 Ų2048.1 Ų48.113%0.1325%0.252CS..THydrogen-bonded Turn-127.510.592.134.5-26.4000113.9I710P634-I710 HydrophobicContact CB-CB 4.12Å; P634-I710 HydrophobicContact CB-CG2 3.37Å; P634-I710 HydrophobicContact CG-CB 3.4Å; P634-I710 VanDerWaalsContact CG-CB 3.4Å; P634-I710 HydrophobicContact CG-CD1 3.96Å; P634-I710 HydrophobicContact CG-CG1 4.32Å; P634-I710 HydrophobicContact CG-CG2 3.25Å
635L53.3Low61.4Low7 Ų749.6 Ų49.64%0.03726%0.257CS..SBendtrans-90.6-9.8-177.4-149.455.2000113.8Y632 M637 L638 E639 V698Y632-L635 WeakPolarHBondContact O-CA 3.42Å; Y632-L635 WeakPolarHBondContact O-CB 3.46Å; Y632-L635 PolarHBondContact O-N 2.9Å; L635-M637 PolarHBondContact O-N 3.38Å; L635-M637 VanDerWaalsContact O-N 3.11Å; L635-L638 HydrophobicContact CD1-CB 4.34Å; L635-L638 HydrophobicContact CD1-CD1 3.86Å; L635-L638 PolarHBondContact O-N 2.88Å; L635-E639 HydrophobicContact CD2-CG 4.18Å; L635-E639 WeakPolarHBondContact CD2-OE1 3.41Å; L635-E639 WeakPolarHBondContact CD2-OE2 3.26Å; L635-E639 VanDerWaalsContact CG-CD 3.4Å; L635-E639 HydrophobicContact CG-CG 3.83Å; L635-E639 PolarHBondContact O-N 3.43Å; L635-V698 HydrophobicContact CD1-CB 4.32Å; L635-V698 HydrophobicContact CD1-CG1 3.51Å; L635-V698 HydrophobicContact CD1-CG2 4.48Å
636H56.9Low61.8Low34 Ų3449.9 Ų49.916%0.15726%0.258CS..Hα-helixtrans-53.8-36.2176.781.5-79.3000111.4A625 L638 T640 G643A625-H636 HydrophobicContact CB-CB 4.38Å; H636-L638 PolarHBondContact O-N 2.85Å; H636-L638 VanDerWaalsContact O-N 3.13Å; H636-T640 HydrophobicContact CB-CG2 4.33Å; H636-T640 WeakPolarHBondContact O-CB 3.26Å; H636-T640 PolarHBondContact O-N 3.24Å; H636-T640 VanDerWaalsContact O-N 3.08Å; H636-T640 PolarHBondContact O-OG1 2.93Å; H636-G643 WeakPolarHBondContact O-CA 3.2Å
637M58Low62.4Low34 Ų3448.3 Ų48.317%0.16724%0.243CC..Hα-helixtrans-56.2-28.3177-74.4-163.6-76.100114.1L635 G643 W644 M647 V691L635-M637 PolarHBondContact O-N 3.38Å; L635-M637 VanDerWaalsContact O-N 3.11Å; M637-G643 VanDerWaalsContact CA-CA 3.42Å; M637-G643 CarbonylContact O-C 3.13Å; M637-W644 PolarHBondContact O-N 3.09Å; M637-M647 HydrophobicContact CB-CG 4.25Å; M637-M647 HydrophobicContact CB-SD 4.32Å; M637-V691 HydrophobicContact CE-CB 4.49Å; M637-V691 HydrophobicContact CE-CG1 3.39Å; M637-V691 HydrophobicContact CE-CG2 4.27Å; M637-V691 HydrophobicContact SD-CG1 3.51Å; M637-V691 VanDerWaalsContact SD-CG1 3.51Å
638L59.8Low63.6Low36 Ų3647.4 Ų47.419%0.18823%0.229CC..Hα-helixtrans-108-31.3-175.2-77.7172.2000114.6L635 H636 W644 M647 A695 V698L635-L638 HydrophobicContact CD1-CB 4.34Å; L635-L638 HydrophobicContact CD1-CD1 3.86Å; L635-L638 PolarHBondContact O-N 2.88Å; H636-L638 PolarHBondContact O-N 2.85Å; H636-L638 VanDerWaalsContact O-N 3.13Å; L638-W644 HydrophobicContact CD2-CH2 4.22Å; L638-W644 HydrophobicContact CD2-CZ2 4.33Å; L638-W644 VanDerWaalsContact O-CE2 3.26Å; L638-W644 WeakPolarHBondContact O-CZ2 3.32Å; L638-W644 PolarHBondContact O-NE1 3.3Å; L638-M647 HydrophobicContact CD2-SD 4.22Å; L638-A695 VanDerWaalsContact CD1-CA 3.42Å; L638-A695 HydrophobicContact CD1-CB 3.59Å; L638-A695 WeakPolarHBondContact CD1-O 3.38Å; L638-A695 HydrophobicContact CD2-CB 3.29Å; L638-A695 HydrophobicContact CG-CB 3.66Å; L638-V698 HydrophobicContact CD1-CB 4.4Å; L638-V698 HydrophobicContact CD1-CG2 4.29Å
639E59.9Low64.9Low94 Ų9446.2 Ų46.244%0.43922%0.221SC..Hα-helixtrans-99.6-22.3-171.6-73.3-178.4167.800112.4L635L635-E639 HydrophobicContact CD2-CG 4.18Å; L635-E639 WeakPolarHBondContact CD2-OE1 3.41Å; L635-E639 WeakPolarHBondContact CD2-OE2 3.26Å; L635-E639 VanDerWaalsContact CG-CD 3.4Å; L635-E639 HydrophobicContact CG-CG 3.83Å; L635-E639 PolarHBondContact O-N 3.43Å
640T66.5Low66.7Low6 Ų644 Ų444%0.03721%0.205CC..SBendtrans-110.5143.3-176.373.60000110.6F630 H636 P642 G643 W644F630-T640 HydrophobicContact CB-CG2 3.96Å; F630-T640 HydrophobicContact CD2-CG2 3.76Å; F630-T640 HydrophobicContact CG-CG2 4.05Å; H636-T640 HydrophobicContact CB-CG2 4.33Å; H636-T640 WeakPolarHBondContact O-CB 3.26Å; H636-T640 PolarHBondContact O-N 3.24Å; H636-T640 VanDerWaalsContact O-N 3.08Å; H636-T640 PolarHBondContact O-OG1 2.93Å; T640-P642 VanDerWaalsContact C-N 3.32Å; T640-P642 WeakPolarHBondContact OG1-CD 3.35Å; T640-G643 WeakPolarHBondContact O-CA 3.31Å; T640-G643 PolarHBondContact O-N 3.16Å; T640-G643 VanDerWaalsContact O-N 3.07Å; T640-G643 PolarHBondContact OG1-N 3.16Å; T640-W644 VanDerWaalsContact O-CD1 3.24Å; T640-W644 PolarHBondContact O-N 2.68Å; T640-W644 VanDerWaalsContact O-N 3.12Å
641W77Confident68.8Low143 Ų14344.8 Ų44.854%0.54221%0.212SC..Hα-helixtrans-57.1-37.2176.280.2-100.6000113.4F621 V624 G643 W644 M645F621-W641 HydrophobicContact CD1-CH2 4.3Å; F621-W641 HydrophobicContact CD1-CZ3 4.02Å; F621-W641 HydrophobicContact CE1-CH2 4.38Å; F621-W641 AromaticContact CE1-CZ3 3.92Å; F621-W641 HydrophobicContact CE1-CZ3 3.92Å; V624-W641 HydrophobicContact CG1-CH2 4.48Å; V624-W641 HydrophobicContact CG1-CZ2 3.7Å; W641-G643 PolarHBondContact O-N 2.81Å; W641-W644 PolarHBondContact O-N 3.13Å; W641-M645 HydrophobicContact CE3-CG 3.67Å; W641-M645 HydrophobicContact CZ3-CG 3.81Å; W641-M645 WeakPolarHBondContact O-CG 3.33Å; W641-M645 PolarHBondContact O-N 3.41Å
642P80Confident71.1Confident1 Ų145.4 Ų45.41%0.00622%0.218CC..Hα-helixtrans-63.8-35.6176.3-18.932.3000111.3F621 V624 A625 T640 M645 S646F621-P642 HydrophobicContact CB-CB 4.03Å; F621-P642 HydrophobicContact CD1-CB 4.48Å; F621-P642 WeakPolarHBondContact O-CB 3.46Å; V624-P642 HydrophobicContact CB-CB 4.47Å; V624-P642 HydrophobicContact CB-CG 3.99Å; V624-P642 HydrophobicContact CG1-CG 3.56Å; A625-P642 HydrophobicContact CB-CB 4.22Å; T640-P642 VanDerWaalsContact C-N 3.32Å; T640-P642 WeakPolarHBondContact OG1-CD 3.35Å; P642-M645 PolarHBondContact O-N 3.42Å; P642-S646 PolarHBondContact O-N 3.44Å
643G77.2Confident73.2Confident0 Ų044 Ų440%021%0.212CC..Hα-helixtrans-59.2-48.8172.700000113.8H636 M637 T640 W641 M645 S646 M647H636-G643 WeakPolarHBondContact O-CA 3.2Å; M637-G643 VanDerWaalsContact CA-CA 3.42Å; M637-G643 CarbonylContact O-C 3.13Å; T640-G643 WeakPolarHBondContact O-CA 3.31Å; T640-G643 PolarHBondContact O-N 3.16Å; T640-G643 VanDerWaalsContact O-N 3.07Å; T640-G643 PolarHBondContact OG1-N 3.16Å; W641-G643 PolarHBondContact O-N 2.81Å; G643-M645 VanDerWaalsContact C-N 3.26Å; G643-M645 PolarHBondContact O-N 3.33Å; G643-S646 WeakPolarHBondContact O-CB 3.41Å; G643-S646 PolarHBondContact O-N 3.24Å; G643-S646 VanDerWaalsContact O-N 3.15Å; G643-M647 PolarHBondContact O-N 2.87Å
644W79.9Confident75.1Confident135 Ų13542.1 Ų42.151%0.51120%0.204SC..Hα-helixtrans-58.9-38.6174.3-74.8102.7000112.2M637 L638 T640 W641 M647 A648M637-W644 PolarHBondContact O-N 3.09Å; L638-W644 HydrophobicContact CD2-CH2 4.22Å; L638-W644 HydrophobicContact CD2-CZ2 4.33Å; L638-W644 VanDerWaalsContact O-CE2 3.26Å; L638-W644 WeakPolarHBondContact O-CZ2 3.32Å; L638-W644 PolarHBondContact O-NE1 3.3Å; T640-W644 VanDerWaalsContact O-CD1 3.24Å; T640-W644 PolarHBondContact O-N 2.68Å; T640-W644 VanDerWaalsContact O-N 3.12Å; W641-W644 PolarHBondContact O-N 3.13Å; W644-M647 PolarHBondContact O-N 3.46Å; W644-A648 WeakPolarHBondContact O-CB 3.34Å; W644-A648 PolarHBondContact O-N 2.95Å
645M85.6Confident77Confident83 Ų8347.2 Ų47.241%0.40923%0.225SC..Hα-helixtrans-68.1-38.7176.3-64.8-58.597.300112.2F621 W641 P642 G643 A648 M649F621-M645 HydrophobicContact CD1-CB 4.14Å; F621-M645 HydrophobicContact CD2-CB 3.98Å; F621-M645 HydrophobicContact CE1-CB 3.77Å; F621-M645 HydrophobicContact CE1-CG 4.18Å; F621-M645 HydrophobicContact CE2-CB 3.58Å; F621-M645 HydrophobicContact CG-CB 4.26Å; F621-M645 HydrophobicContact CZ-CB 3.48Å; F621-M645 VanDerWaalsContact CZ-CB 3.48Å; F621-M645 HydrophobicContact CZ-CG 4.16Å; W641-M645 HydrophobicContact CE3-CG 3.67Å; W641-M645 HydrophobicContact CZ3-CG 3.81Å; W641-M645 WeakPolarHBondContact O-CG 3.33Å; W641-M645 PolarHBondContact O-N 3.41Å; P642-M645 PolarHBondContact O-N 3.42Å; G643-M645 VanDerWaalsContact C-N 3.26Å; G643-M645 PolarHBondContact O-N 3.33Å; M645-A648 PolarHBondContact O-N 3.34Å; M645-M649 WeakPolarHBondContact O-CB 3.3Å; M645-M649 PolarHBondContact O-N 2.83Å
646S81.8Confident78.7Confident12 Ų1248.9 Ų48.98%0.08424%0.237CC..Hα-helixtrans-62.9-42.6172.9-170.50000111.8Q618 P642 G643 M649 R650Q618-S646 VanDerWaalsContact CD-OG 3.26Å; Q618-S646 PolarHBondContact NE2-OG 2.74Å; Q618-S646 PolarHBondContact OE1-OG 2.89Å; P642-S646 PolarHBondContact O-N 3.44Å; G643-S646 WeakPolarHBondContact O-CB 3.41Å; G643-S646 PolarHBondContact O-N 3.24Å; G643-S646 VanDerWaalsContact O-N 3.15Å; S646-M649 PolarHBondContact O-N 3.04Å; S646-R650 PolarHBondContact O-N 3.41Å
647M81.9Confident80.2Confident15 Ų1547.2 Ų47.27%0.07423%0.23CC..Hα-helixtrans-63-42.4173.8-72.2-169.571.400112.5M637 L638 G643 W644 M649 R650 L651 I692 A695M637-M647 HydrophobicContact CB-CG 4.25Å; M637-M647 HydrophobicContact CB-SD 4.32Å; L638-M647 HydrophobicContact CD2-SD 4.22Å; G643-M647 PolarHBondContact O-N 2.87Å; W644-M647 PolarHBondContact O-N 3.46Å; M647-M649 VanDerWaalsContact C-N 3.33Å; M647-M649 PolarHBondContact O-N 3.45Å; M647-R650 PolarHBondContact O-N 3.05Å; M647-L651 PolarHBondContact O-N 3Å; M647-I692 HydrophobicContact CE-CB 4.12Å; M647-I692 HydrophobicContact CE-CG1 3.74Å; M647-I692 HydrophobicContact CE-CG2 4.27Å; M647-A695 HydrophobicContact CE-CB 4.19Å
648A86.4Confident81.8Confident42 Ų4250 Ų5035%0.34724%0.243SC..Hα-helixtrans-62.1-41.8176.200000111.4W644 M645 L651 L652W644-A648 WeakPolarHBondContact O-CB 3.34Å; W644-A648 PolarHBondContact O-N 2.95Å; M645-A648 PolarHBondContact O-N 3.34Å; A648-L651 WeakPolarHBondContact O-CB 3.35Å; A648-L651 PolarHBondContact O-N 2.9Å; A648-L652 WeakPolarHBondContact O-CG 3.47Å; A648-L652 PolarHBondContact O-N 2.61Å
649M85.7Confident83.2Confident12 Ų1253.9 Ų53.96%0.05926%0.262CS..Hα-helixtrans-65.2-41.3175.4-171.4166.674.500112.2M581 C614 L617 Q618 M645 S646 M647 L651 L652 M653M581-M649 HydrophobicContact CE-CE 3.2Å; M581-M649 HydrophobicContact SD-CE 3.85Å; C614-M649 HydrophobicContact CB-SD 3.91Å; C614-M649 WeakPolarHBondContact O-CE 3.32Å; L617-M649 HydrophobicContact CB-SD 4.21Å; Q618-M649 HydrophobicContact CB-CE 3.55Å; Q618-M649 HydrophobicContact CG-CE 4.14Å; M645-M649 WeakPolarHBondContact O-CB 3.3Å; M645-M649 PolarHBondContact O-N 2.83Å; S646-M649 PolarHBondContact O-N 3.04Å; M647-M649 VanDerWaalsContact C-N 3.33Å; M647-M649 PolarHBondContact O-N 3.45Å; M649-L651 VanDerWaalsContact C-N 3.33Å; M649-L651 PolarHBondContact O-N 3.2Å; M649-L652 WeakPolarHBondContact O-CB 3.47Å; M649-L652 PolarHBondContact O-N 2.9Å; M649-M653 WeakPolarHBondContact O-CG 3.4Å; M649-M653 PolarHBondContact O-N 3.25Å
650R86.3Confident84.6Confident19 Ų1950.2 Ų50.27%0.07225%0.245CC..Hα-helixtrans-59.9-43.3173.9-171.7169.2-175.9146.52.4111.3M584 S646 M647 L652 M653 T654 W687 F688M584-R650 HydrophobicContact CE-CG 3.84Å; M584-R650 HydrophobicContact SD-CG 3.97Å; S646-R650 PolarHBondContact O-N 3.41Å; M647-R650 PolarHBondContact O-N 3.05Å; R650-L652 PolarHBondContact O-N 2.82Å; R650-M653 PolarHBondContact O-N 3.18Å; R650-T654 PolarHBondContact O-N 2.87Å; R650-T654 PolarHBondContact O-OG1 2.96Å; R650-W687 PolarHBondContact NH2-O 3.47Å; R650-F688 PolarHBondContact NE-O 3.31Å
651L87.6Confident85.7Confident78 Ų7850.5 Ų50.541%0.40825%0.246SC..Hα-helixtrans-59.6-43.2174.2-82171.2000112.8M647 A648 M649 T654 Q655 I692M647-L651 PolarHBondContact O-N 3Å; A648-L651 WeakPolarHBondContact O-CB 3.35Å; A648-L651 PolarHBondContact O-N 2.9Å; M649-L651 VanDerWaalsContact C-N 3.33Å; M649-L651 PolarHBondContact O-N 3.2Å; L651-T654 WeakPolarHBondContact O-CB 3.47Å; L651-T654 PolarHBondContact O-N 2.69Å; L651-Q655 WeakPolarHBondContact O-CG 3.19Å; L651-Q655 PolarHBondContact O-N 3.38Å; L651-I692 HydrophobicContact CD1-CD1 4.46Å; L651-I692 HydrophobicContact CD2-CD1 3.36Å; L651-I692 HydrophobicContact CG-CD1 3.81Å
652L88.4Confident86.3Confident96 Ų9651.9 Ų51.950%0.50325%0.251SS..Hα-helixtrans-61.9-44.2175.2-70.8170.6000111.4A648 M649 R650 T654 Q655 C656A648-L652 WeakPolarHBondContact O-CG 3.47Å; A648-L652 PolarHBondContact O-N 2.61Å; M649-L652 WeakPolarHBondContact O-CB 3.47Å; M649-L652 PolarHBondContact O-N 2.9Å; R650-L652 PolarHBondContact O-N 2.82Å; L652-T654 PolarHBondContact O-N 3.43Å; L652-Q655 WeakPolarHBondContact O-CB 3.32Å; L652-Q655 PolarHBondContact O-N 3.21Å; L652-C656 PolarHBondContact O-N 3.23Å; L652-C656 PolarHBondContact O-SG 3.49Å; L652-C656 VanDerWaalsContact O-SG 3.35Å
653M86.7Confident86.7Confident6 Ų656.4 Ų56.43%0.0327%0.271CS..Hα-helixtrans-64.1-38.9176-68.3-59.610600112.2M581 M584 L585 I588 M610 M649 R650 Q655 C656 F657 F688M581-M653 HydrophobicContact SD-CG 4.47Å; M584-M653 HydrophobicContact SD-CB 4.39Å; L585-M653 HydrophobicContact CD2-SD 4.06Å; I588-M653 HydrophobicContact CD1-CB 4.33Å; I588-M653 HydrophobicContact CD1-SD 3.98Å; M610-M653 HydrophobicContact CE-CE 4.22Å; M610-M653 HydrophobicContact SD-CE 4.43Å; M649-M653 WeakPolarHBondContact O-CG 3.4Å; M649-M653 PolarHBondContact O-N 3.25Å; R650-M653 PolarHBondContact O-N 3.18Å; M653-Q655 VanDerWaalsContact C-N 3.33Å; M653-Q655 PolarHBondContact O-N 3.23Å; M653-C656 WeakPolarHBondContact O-CB 3.2Å; M653-C656 PolarHBondContact O-N 3.39Å; M653-F657 WeakPolarHBondContact O-CB 3.4Å; M653-F657 PolarHBondContact O-N 3.03Å; M653-F688 HydrophobicContact CB-CE1 4.44Å
654T88.8Confident87.2Confident12 Ų1256.5 Ų56.57%0.07427%0.271CS..Hα-helixtrans-59.4-44.1172.8-54.70000111.3R650 L651 L652 F657 M658 M685 F688 V689R650-T654 PolarHBondContact O-N 2.87Å; R650-T654 PolarHBondContact O-OG1 2.96Å; L651-T654 WeakPolarHBondContact O-CB 3.47Å; L651-T654 PolarHBondContact O-N 2.69Å; L652-T654 PolarHBondContact O-N 3.43Å; T654-F657 PolarHBondContact O-N 2.93Å; T654-M658 WeakPolarHBondContact O-CG 3.41Å; T654-M658 PolarHBondContact O-N 2.94Å; T654-M685 HydrophobicContact CG2-CE 3.84Å; T654-M685 HydrophobicContact CG2-SD 3.78Å; T654-F688 HydrophobicContact CG2-CB 3.88Å; T654-F688 HydrophobicContact CG2-CG 4.27Å; T654-F688 VanDerWaalsContact OG1-CD1 3.28Å; T654-F688 WeakPolarHBondContact OG1-CD1 3.35Å; T654-V689 HydrophobicContact CG2-CG1 4.32Å
655Q89.2Confident87.6Confident126 Ų12651.4 Ų51.459%0.58926%0.255SS*.Hα-helixtrans-63.7-43.2176.2-72.5177.7-6.500111.8L651 L652 M653 M658 M659L651-Q655 WeakPolarHBondContact O-CG 3.19Å; L651-Q655 PolarHBondContact O-N 3.38Å; L652-Q655 WeakPolarHBondContact O-CB 3.32Å; L652-Q655 PolarHBondContact O-N 3.21Å; M653-Q655 VanDerWaalsContact C-N 3.33Å; M653-Q655 PolarHBondContact O-N 3.23Å; Q655-M658 PolarHBondContact O-N 3.11Å; Q655-M659 WeakPolarHBondContact O-CB 3.4Å; Q655-M659 PolarHBondContact O-N 2.71Å
656C88.1Confident87.7Confident42 Ų4254.1 Ų54.128%0.28427%0.265SS..Hα-helixtrans-59.3-47.3174.2-69.90000111.6I588 L652 M653 M658 M659 E660I588-C656 HydrophobicContact CD1-CB 4.15Å; L652-C656 PolarHBondContact O-N 3.23Å; L652-C656 PolarHBondContact O-SG 3.49Å; L652-C656 VanDerWaalsContact O-SG 3.35Å; M653-C656 WeakPolarHBondContact O-CB 3.2Å; M653-C656 PolarHBondContact O-N 3.39Å; C656-M658 PolarHBondContact O-N 2.8Å; C656-M659 PolarHBondContact O-N 2.93Å; C656-E660 WeakPolarHBondContact O-CG 3.42Å; C656-E660 PolarHBondContact O-N 2.81Å
657F90.2Very high87.8Confident0 Ų061 Ų610%029%0.289CS..Hα-helixtrans-59.2-47.2176.8177.2-84000111.6L587 I588 V591 M653 T654 M659 E660 L661 C684 M685 F688L587-F657 HydrophobicContact CB-CD2 4.08Å; L587-F657 HydrophobicContact CB-CE2 3.94Å; I588-F657 HydrophobicContact CG1-CB 3.78Å; I588-F657 HydrophobicContact CG1-CD2 4.16Å; I588-F657 HydrophobicContact CG1-CG 4.48Å; V591-F657 HydrophobicContact CB-CE2 4.46Å; V591-F657 HydrophobicContact CG2-CD2 4.23Å; V591-F657 HydrophobicContact CG2-CE2 3.5Å; V591-F657 VanDerWaalsContact CG2-CE2 3.5Å; V591-F657 HydrophobicContact CG2-CZ 3.91Å; M653-F657 WeakPolarHBondContact O-CB 3.4Å; M653-F657 PolarHBondContact O-N 3.03Å; T654-F657 PolarHBondContact O-N 2.93Å; F657-M659 VanDerWaalsContact C-N 3.3Å; F657-M659 PolarHBondContact O-N 3.48Å; F657-E660 PolarHBondContact O-N 2.8Å; F657-L661 HydrophobicContact CE1-CB 4.43Å; F657-L661 HydrophobicContact CE1-CD2 4.01Å; F657-L661 VanDerWaalsContact O-CB 3.26Å; F657-L661 WeakPolarHBondContact O-CB 3.47Å; F657-L661 PolarHBondContact O-N 2.9Å; F657-C684 HydrophobicContact CE1-CB 4.21Å; F657-C684 HydrophobicContact CE2-CB 4.28Å; F657-C684 HydrophobicContact CZ-CB 3.63Å; F657-M685 HydrophobicContact CB-CE 4.41Å; F657-M685 HydrophobicContact CD1-CE 3.06Å; F657-M685 HydrophobicContact CE1-CE 3.46Å; F657-M685 VanDerWaalsContact CE1-CE 3.46Å; F657-M685 HydrophobicContact CG-CE 4.05Å; F657-F688 HydrophobicContact CB-CE2 4.08Å; F657-F688 HydrophobicContact CB-CZ 4Å; F657-F688 HydrophobicContact CD1-CD2 4.46Å; F657-F688 HydrophobicContact CD1-CE2 4.12Å; F657-F688 AromaticContact CD2-CE2 3.69Å; F657-F688 HydrophobicContact CD2-CE2 3.69Å; F657-F688 HydrophobicContact CD2-CZ 4.03Å; F657-F688 HydrophobicContact CE1-CE2 4.44Å; F657-F688 HydrophobicContact CE2-CE2 4.09Å; F657-F688 HydrophobicContact CG-CD2 4.41Å; F657-F688 AromaticContact CG-CE2 3.68Å; F657-F688 HydrophobicContact CG-CE2 3.68Å; F657-F688 HydrophobicContact CG-CZ 4.06Å; F657-F688 HydrophobicContact CZ-CE2 4.42Å
658M91Very high87.8Confident92 Ų9261.1 Ų61.145%0.45329%0.289SS..Hα-helixtrans-61.2-39.4179-77-62.9-76.700112.4T654 Q655 C656 L661 R662 M685T654-M658 WeakPolarHBondContact O-CG 3.41Å; T654-M658 PolarHBondContact O-N 2.94Å; Q655-M658 PolarHBondContact O-N 3.11Å; C656-M658 PolarHBondContact O-N 2.8Å; M658-L661 HydrophobicContact SD-CD2 4.45Å; M658-R662 WeakPolarHBondContact O-CB 3.47Å; M658-R662 PolarHBondContact O-N 3Å; M658-M685 HydrophobicContact CG-CE 3.45Å; M658-M685 VanDerWaalsContact CG-CE 3.45Å; M658-M685 HydrophobicContact CG-SD 3.71Å; M658-M685 HydrophobicContact SD-CE 3.39Å; M658-M685 WeakPolarHBondContact SD-CE 3.19Å; M658-M685 HydrophobicContact SD-CG 3.68Å; M658-M685 HydrophobicContact SD-SD 3.39Å
659M89.4Confident87.5Confident117 Ų11765.9 Ų65.958%0.57631%0.314SS*.Hα-helixtrans-65.5-48177.5-173.8-178.7-63.400111.3Q655 C656 F657 L661 R662 F663Q655-M659 WeakPolarHBondContact O-CB 3.4Å; Q655-M659 PolarHBondContact O-N 2.71Å; C656-M659 PolarHBondContact O-N 2.93Å; F657-M659 VanDerWaalsContact C-N 3.3Å; F657-M659 PolarHBondContact O-N 3.48Å; M659-L661 VanDerWaalsContact C-N 3.34Å; M659-R662 PolarHBondContact O-N 2.7Å; M659-F663 HydrophobicContact CG-CD2 3.95Å; M659-F663 HydrophobicContact CG-CE2 3.54Å; M659-F663 WeakPolarHBondContact O-CD2 3.34Å; M659-F663 PolarHBondContact O-N 3.43Å; M659-F663 HydrophobicContact SD-CE2 4.11Å
660E88.3Confident87.4Confident17 Ų1767.1 Ų67.18%0.07932%0.324CS..Hα-helixtrans-65.9-37.2178-64.9-68.5179.600111.4I588 V591 K592 Y607 C656 F657 F663 A664I588-E660 HydrophobicContact CG2-CG 4.28Å; V591-E660 HydrophobicContact CG1-CB 4.21Å; K592-E660 HydrophobicContact CB-CB 4.3Å; K592-E660 HydrophobicContact CB-CG 4.28Å; K592-E660 HydrophobicContact CD-CG 4.45Å; K592-E660 WeakPolarHBondContact CG-OE2 3.49Å; Y607-E660 PolarHBondContact OH-OE1 2.98Å; C656-E660 WeakPolarHBondContact O-CG 3.42Å; C656-E660 PolarHBondContact O-N 2.81Å; F657-E660 PolarHBondContact O-N 2.8Å; E660-F663 PolarHBondContact O-N 2.9Å; E660-A664 WeakPolarHBondContact O-CB 3.37Å; E660-A664 PolarHBondContact O-N 3.08Å
661L90Very high87.2Confident13 Ų1375.4 Ų75.47%0.06836%0.355CS..Hα-helixtrans-61-46.4174.1-177.867.6000111.3V591 F657 M658 M659 F663 A664 V665V591-L661 HydrophobicContact CG1-CB 3.89Å; V591-L661 HydrophobicContact CG1-CD1 4.02Å; V591-L661 VanDerWaalsContact CG1-N 3.32Å; V591-L661 HydrophobicContact CG2-CD1 4.33Å; F657-L661 HydrophobicContact CE1-CB 4.43Å; F657-L661 HydrophobicContact CE1-CD2 4.01Å; F657-L661 VanDerWaalsContact O-CB 3.26Å; F657-L661 WeakPolarHBondContact O-CB 3.47Å; F657-L661 PolarHBondContact O-N 2.9Å; M658-L661 HydrophobicContact SD-CD2 4.45Å; M659-L661 VanDerWaalsContact C-N 3.34Å; L661-F663 VanDerWaalsContact C-N 3.28Å; L661-F663 PolarHBondContact O-N 3.02Å; L661-A664 PolarHBondContact O-N 3.35Å; L661-V665 HydrophobicContact CD1-CG2 4.42Å; L661-V665 HydrophobicContact CG-CG2 4.49Å; L661-V665 WeakPolarHBondContact O-CB 3.13Å; L661-V665 VanDerWaalsContact O-CG2 3.29Å; L661-V665 WeakPolarHBondContact O-CG2 3.46Å; L661-V665 PolarHBondContact O-N 3.41Å
662R90.7Very high86.8Confident171 Ų17178.8 Ų78.865%0.64537%0.369SS*.Hα-helixtrans-60.8-38.5176.3-172.3-179.7-173.7-166.82.2112M658 M659 K666M658-R662 WeakPolarHBondContact O-CB 3.47Å; M658-R662 PolarHBondContact O-N 3Å; M659-R662 PolarHBondContact O-N 2.7Å; R662-K666 WeakPolarHBondContact O-CB 3.48Å; R662-K666 VanDerWaalsContact O-CG 3.32Å; R662-K666 WeakPolarHBondContact O-CG 3.5Å; R662-K666 PolarHBondContact O-N 3.4Å; R662-K666 VanDerWaalsContact O-N 3.17Å
663F88.3Confident86.4Confident97 Ų9776.7 Ų76.743%0.42535%0.354SS..Hα-helixtrans-70.7-38.6175.9-75.1-57000112.6M659 E660 L661 K666 R667M659-F663 HydrophobicContact CG-CD2 3.95Å; M659-F663 HydrophobicContact CG-CE2 3.54Å; M659-F663 WeakPolarHBondContact O-CD2 3.34Å; M659-F663 PolarHBondContact O-N 3.43Å; M659-F663 HydrophobicContact SD-CE2 4.11Å; E660-F663 PolarHBondContact O-N 2.9Å; L661-F663 VanDerWaalsContact C-N 3.28Å; L661-F663 PolarHBondContact O-N 3.02Å; F663-K666 PolarHBondContact O-N 3.48Å; F663-R667 WeakPolarHBondContact O-CG 3.43Å; F663-R667 PolarHBondContact O-N 2.81Å
664A86.7Confident86.2Confident1 Ų180.1 Ų80.11%0.00837%0.371CS..Hα-helixtrans-62.7-49.8176.100000111.2V591 W594 E660 L661 K666 R667 E668 L677V591-A664 HydrophobicContact CG1-CB 4Å; W594-A664 HydrophobicContact CB-CB 4.38Å; E660-A664 WeakPolarHBondContact O-CB 3.37Å; E660-A664 PolarHBondContact O-N 3.08Å; L661-A664 PolarHBondContact O-N 3.35Å; A664-K666 VanDerWaalsContact C-N 3.32Å; A664-K666 PolarHBondContact O-N 2.8Å; A664-R667 PolarHBondContact O-N 2.88Å; A664-R667 VanDerWaalsContact O-N 3.1Å; A664-E668 PolarHBondContact O-N 3.29Å; A664-L677 HydrophobicContact CB-CD1 4.26Å
665V87.5Confident86Confident28 Ų2883 Ų8317%0.1739%0.385CS..Hα-helixtrans-55.6-44.6175.8168.80000111.3L661 R667 E668 E674 L677L661-V665 HydrophobicContact CD1-CG2 4.42Å; L661-V665 HydrophobicContact CG-CG2 4.49Å; L661-V665 WeakPolarHBondContact O-CB 3.13Å; L661-V665 VanDerWaalsContact O-CG2 3.29Å; L661-V665 WeakPolarHBondContact O-CG2 3.46Å; L661-V665 PolarHBondContact O-N 3.41Å; V665-R667 VanDerWaalsContact C-N 3.3Å; V665-R667 PolarHBondContact O-N 2.88Å; V665-E668 PolarHBondContact O-N 2.98Å; V665-E674 HydrophobicContact CG1-CG 3.84Å; V665-L677 HydrophobicContact CG2-CB 4.04Å; V665-L677 HydrophobicContact CG2-CD1 4.48Å
666K88.1Confident85.8Confident141 Ų14179.1 Ų79.161%0.61337%0.367SS*.Hα-helixtrans-67.5-22.9178.9-79-177.4175.7-167.70115.3R662 F663 A664R662-K666 WeakPolarHBondContact O-CB 3.48Å; R662-K666 VanDerWaalsContact O-CG 3.32Å; R662-K666 WeakPolarHBondContact O-CG 3.5Å; R662-K666 PolarHBondContact O-N 3.4Å; R662-K666 VanDerWaalsContact O-N 3.17Å; F663-K666 PolarHBondContact O-N 3.48Å; A664-K666 VanDerWaalsContact C-N 3.32Å; A664-K666 PolarHBondContact O-N 2.8Å
667R84.5Confident85.7Confident155 Ų15577.1 Ų77.159%0.58535%0.353SS*.Hα-helixtrans-88.4-20.3179.5-73.4179.2-164.2151.59.9112.2F663 A664 V665F663-R667 WeakPolarHBondContact O-CG 3.43Å; F663-R667 PolarHBondContact O-N 2.81Å; A664-R667 PolarHBondContact O-N 2.88Å; A664-R667 VanDerWaalsContact O-N 3.1Å; V665-R667 VanDerWaalsContact C-N 3.3Å; V665-R667 PolarHBondContact O-N 2.88Å
668E81.9Confident85.6Confident19 Ų1981.8 Ų81.89%0.08938%0.378CS..  trans-76.4130.7-176.6-166.157.4-128.400110.1W594 A664 V665 R673 L677W594-E668 PolarHBondContact NE1-OE2 3.45Å; A664-E668 PolarHBondContact O-N 3.29Å; V665-E668 PolarHBondContact O-N 2.98Å; E668-R673 HydrophobicContact CG-CB 3.47Å; E668-R673 VanDerWaalsContact CG-CB 3.47Å; E668-R673 WeakPolarHBondContact OE1-CD 3.48Å; E668-R673 IonicContact OE1-NH1 3.83Å; E668-L677 HydrophobicContact CB-CD1 4.46Å
669T81.2Confident85.4Confident141 Ų14183.6 Ų83.687%0.86539%0.385SS*.  trans-99.1-20.3179.353.20000112.2
670S82.3Confident85.3Confident39 Ų3979.6 Ų79.627%0.27336%0.364SS..  trans-86.6123.5176170.20000110.9E672 R673 E674S670-E672 VanDerWaalsContact C-N 3.29Å; S670-E672 PolarHBondContact O-N 3Å; S670-R673 PolarHBondContact O-N 3.43Å; S670-E674 PolarHBondContact O-N 3.21Å
671R82.8Confident85.4Confident193 Ų19378.8 Ų78.873%0.72836%0.361SS*.Hα-helixtrans-59.7-38.1177.9-169.4175.3-177.5172.51.3112.8R673 E674 D675R671-R673 PolarHBondContact O-N 2.86Å; R671-E674 WeakPolarHBondContact O-CB 3.48Å; R671-E674 PolarHBondContact O-N 2.95Å; R671-D675 PolarHBondContact O-N 3.2Å
672E78.9Confident85.3Confident149 Ų14981.2 Ų81.270%0.69638%0.378SS*.Hα-helixtrans-66-40.3178.9-63-179.7170.700112.4S670 F676S670-E672 VanDerWaalsContact C-N 3.29Å; S670-E672 PolarHBondContact O-N 3Å; E672-F676 WeakPolarHBondContact O-CB 3.42Å; E672-F676 PolarHBondContact O-N 3.49Å
673R79.7Confident85.1Confident51 Ų5175.2 Ų75.219%0.19237%0.37CS..Hα-helixtrans-71-34.5176.6-70.6178.6174.1-173.1-3.9111.4W594 E668 S670 R671 L677 A738W594-R673 HydrophobicContact CZ2-CB 4.16Å; W594-R673 HydrophobicContact CZ2-CG 4.24Å; E668-R673 HydrophobicContact CG-CB 3.47Å; E668-R673 VanDerWaalsContact CG-CB 3.47Å; E668-R673 WeakPolarHBondContact OE1-CD 3.48Å; E668-R673 IonicContact OE1-NH1 3.83Å; S670-R673 PolarHBondContact O-N 3.43Å; R671-R673 PolarHBondContact O-N 2.86Å; R673-L677 WeakPolarHBondContact O-CB 3.43Å; R673-L677 WeakPolarHBondContact O-CG 3.09Å; R673-L677 PolarHBondContact O-N 2.92Å; R673-A738 PolarHBondContact NH2-O 3.19Å
674E83.1Confident85.2Confident79 Ų7971.3 Ų71.337%0.36935%0.354SS..Hα-helixtrans-61.1-51.9172.1-167.1-170.1164.300111.3V665 S670 R671 F676 L677 L678V665-E674 HydrophobicContact CG1-CG 3.84Å; S670-E674 PolarHBondContact O-N 3.21Å; R671-E674 WeakPolarHBondContact O-CB 3.48Å; R671-E674 PolarHBondContact O-N 2.95Å; E674-F676 VanDerWaalsContact C-N 3.31Å; E674-F676 PolarHBondContact O-N 3.15Å; E674-L677 WeakPolarHBondContact O-CB 3.32Å; E674-L677 PolarHBondContact O-N 2.86Å; E674-L677 VanDerWaalsContact O-N 3.17Å; E674-L678 PolarHBondContact O-N 3.38Å
675D84.4Confident85.3Confident71 Ų7172.8 Ų72.838%0.3836%0.362SS..Hα-helixtrans-60.6-42.3178.5-74.1-21.7000110.8R671 L677 L678 H679R671-D675 PolarHBondContact O-N 3.2Å; D675-L677 PolarHBondContact O-N 2.89Å; D675-L678 PolarHBondContact O-N 3.09Å; D675-H679 WeakPolarHBondContact O-CB 3.37Å; D675-H679 PolarHBondContact O-CD2 3.34Å; D675-H679 PolarHBondContact O-N 3.2Å
676F85Confident85.3Confident45 Ų4576.2 Ų76.220%0.19738%0.382CS..Hα-helixtrans-59-48.2173.9172.8-97.9000112.3W594 E672 E674 L678 H679 F680 L728 K735W594-F676 AromaticContact CH2-CD1 3.85Å; W594-F676 HydrophobicContact CH2-CD1 3.85Å; W594-F676 AromaticContact CH2-CE1 3.94Å; W594-F676 HydrophobicContact CH2-CE1 3.94Å; W594-F676 HydrophobicContact CZ3-CD1 4.22Å; W594-F676 AromaticContact CZ3-CE1 3.9Å; W594-F676 HydrophobicContact CZ3-CE1 3.9Å; E672-F676 WeakPolarHBondContact O-CB 3.42Å; E672-F676 PolarHBondContact O-N 3.49Å; E674-F676 VanDerWaalsContact C-N 3.31Å; E674-F676 PolarHBondContact O-N 3.15Å; F676-L678 VanDerWaalsContact C-N 3.31Å; F676-L678 PolarHBondContact O-N 3.28Å; F676-H679 PolarHBondContact O-N 3.42Å; F676-F680 HydrophobicContact CE1-CB 4.37Å; F676-F680 HydrophobicContact CZ-CB 4.25Å; F676-F680 VanDerWaalsContact O-CB 3.25Å; F676-F680 WeakPolarHBondContact O-CB 3.35Å; F676-F680 PolarHBondContact O-N 3.12Å; F676-L728 HydrophobicContact CE2-CD1 4.38Å; F676-L728 HydrophobicContact CZ-CD1 3.65Å; F676-K735 HydrophobicContact CE2-CD 3.96Å; F676-K735 HydrophobicContact CE2-CG 4.44Å
677L85.7Confident85.4Confident1 Ų170 Ų701%0.00536%0.355CS..Hα-helixtrans-60.7-41.1177.8-82.4169.1000111.6W594 A664 V665 E668 R673 E674 D675 G681W594-L677 HydrophobicContact CD2-CD1 4.26Å; W594-L677 HydrophobicContact CD2-CD2 3.85Å; W594-L677 HydrophobicContact CD2-CG 4.26Å; W594-L677 HydrophobicContact CE3-CD2 4Å; W594-L677 HydrophobicContact CG-CD1 4.16Å; W594-L677 HydrophobicContact CG-CD2 4.09Å; W594-L677 HydrophobicContact CZ2-CG 4.47Å; W594-L677 HydrophobicContact CZ3-CD2 4.46Å; A664-L677 HydrophobicContact CB-CD1 4.26Å; V665-L677 HydrophobicContact CG2-CB 4.04Å; V665-L677 HydrophobicContact CG2-CD1 4.48Å; E668-L677 HydrophobicContact CB-CD1 4.46Å; R673-L677 WeakPolarHBondContact O-CB 3.43Å; R673-L677 WeakPolarHBondContact O-CG 3.09Å; R673-L677 PolarHBondContact O-N 2.92Å; E674-L677 WeakPolarHBondContact O-CB 3.32Å; E674-L677 PolarHBondContact O-N 2.86Å; E674-L677 VanDerWaalsContact O-N 3.17Å; D675-L677 PolarHBondContact O-N 2.89Å; L677-G681 WeakPolarHBondContact O-CA 3.32Å; L677-G681 PolarHBondContact O-N 3.5Å
678L87.9Confident85.6Confident98 Ų9862.7 Ų62.751%0.51333%0.327SS..Hα-helixtrans-64.7-46.7178.5-169.969.3000111.1E674 D675 F676 G681 S682E674-L678 PolarHBondContact O-N 3.38Å; D675-L678 PolarHBondContact O-N 3.09Å; F676-L678 VanDerWaalsContact C-N 3.31Å; F676-L678 PolarHBondContact O-N 3.28Å; L678-G681 PolarHBondContact O-N 2.86Å; L678-S682 WeakPolarHBondContact O-CB 3.44Å; L678-S682 PolarHBondContact O-N 3.25Å; L678-S682 PolarHBondContact O-OG 3.27Å
679H87.7Confident85.6Confident130 Ų13064 Ų6460%0.60234%0.337SS*.Hα-helixtrans-64.2-47.3176.6-74.5-56.5000112.1D675 F676 G681 S682 G683D675-H679 WeakPolarHBondContact O-CB 3.37Å; D675-H679 PolarHBondContact O-CD2 3.34Å; D675-H679 PolarHBondContact O-N 3.2Å; F676-H679 PolarHBondContact O-N 3.42Å; H679-G681 PolarHBondContact O-N 3.25Å; H679-S682 PolarHBondContact O-N 2.99Å; H679-S682 PolarHBondContact O-OG 2.9Å; H679-G683 PolarHBondContact O-N 3.11Å
680F87.1Confident85.9Confident32 Ų3258.6 Ų58.614%0.1430%0.301CS..Hα-helixtrans-59.1-46.4175.9173.9-104.6000111.7L587 V590 V591 F676 G683 C684 L725 L728L587-F680 HydrophobicContact CD2-CZ 3.83Å; V590-F680 HydrophobicContact CG1-CE1 4.21Å; V590-F680 HydrophobicContact CG1-CZ 4.2Å; V591-F680 HydrophobicContact CG2-CD1 4.43Å; V591-F680 HydrophobicContact CG2-CE1 3.96Å; F676-F680 HydrophobicContact CE1-CB 4.37Å; F676-F680 HydrophobicContact CZ-CB 4.25Å; F676-F680 VanDerWaalsContact O-CB 3.25Å; F676-F680 WeakPolarHBondContact O-CB 3.35Å; F676-F680 PolarHBondContact O-N 3.12Å; F680-G683 PolarHBondContact O-N 3.04Å; F680-C684 VanDerWaalsContact CZ-SG 3.57Å; F680-C684 PolarHBondContact O-N 3.49Å; F680-C684 PolarHBondContact O-SG 2.94Å; F680-L725 HydrophobicContact CE2-CD2 4.16Å; F680-L725 HydrophobicContact CZ-CD2 4.21Å; F680-L728 HydrophobicContact CD2-CD2 4.24Å; F680-L728 HydrophobicContact CE2-CD2 3.72Å; F680-L728 HydrophobicContact CZ-CD2 4.19Å
681G89.3Confident85.8Confident1 Ų157 Ų571%0.0129%0.29CS..Hα-helixtrans-61-43.7176.900000112.8L677 L678 H679 C684 M685L677-G681 WeakPolarHBondContact O-CA 3.32Å; L677-G681 PolarHBondContact O-N 3.5Å; L678-G681 PolarHBondContact O-N 2.86Å; H679-G681 PolarHBondContact O-N 3.25Å; G681-C684 PolarHBondContact O-N 3.2Å; G681-M685 WeakPolarHBondContact O-CB 3.48Å; G681-M685 WeakPolarHBondContact O-CG 3.44Å; G681-M685 PolarHBondContact O-N 3.45Å
682S87.8Confident85.5Confident63 Ų6350.1 Ų50.144%0.44127%0.266SS..Hα-helixtrans-63.9-40.9176.574.40000112.6L678 H679 M685 V686L678-S682 WeakPolarHBondContact O-CB 3.44Å; L678-S682 PolarHBondContact O-N 3.25Å; L678-S682 PolarHBondContact O-OG 3.27Å; H679-S682 PolarHBondContact O-N 2.99Å; H679-S682 PolarHBondContact O-OG 2.9Å; S682-M685 WeakPolarHBondContact O-CB 3.37Å; S682-M685 PolarHBondContact O-N 3.32Å; S682-V686 PolarHBondContact O-N 3.02Å
683G87.6Confident85.6Confident45 Ų4548.3 Ų48.346%0.46426%0.261SS..Hα-helixtrans-64.6-45.4175.400000112.2H679 F680 M685 V686H679-G683 PolarHBondContact O-N 3.11Å; F680-G683 PolarHBondContact O-N 3.04Å; G683-M685 VanDerWaalsContact C-N 3.29Å; G683-M685 PolarHBondContact O-N 3.3Å; G683-V686 PolarHBondContact O-N 3.13Å
684C89.7Confident85.7Confident15 Ų1546.8 Ų46.810%0.10126%0.256CS..Hα-helixtrans-63.1-36.3175.6-66.10000111.9L587 F657 F680 G681 V686 W687 F688L587-C684 HydrophobicContact CD1-CB 4.45Å; F657-C684 HydrophobicContact CE1-CB 4.21Å; F657-C684 HydrophobicContact CE2-CB 4.28Å; F657-C684 HydrophobicContact CZ-CB 3.63Å; F680-C684 VanDerWaalsContact CZ-SG 3.57Å; F680-C684 PolarHBondContact O-N 3.49Å; F680-C684 PolarHBondContact O-SG 2.94Å; G681-C684 PolarHBondContact O-N 3.2Å; C684-V686 VanDerWaalsContact C-N 3.3Å; C684-V686 PolarHBondContact O-N 3.37Å; C684-W687 PolarHBondContact O-N 3.38Å; C684-W687 VanDerWaalsContact O-N 3.08Å; C684-F688 HydrophobicContact CB-CD2 4.48Å; C684-F688 HydrophobicContact CB-CE2 4.48Å; C684-F688 VanDerWaalsContact O-CD2 3.28Å; C684-F688 WeakPolarHBondContact O-CD2 3.49Å; C684-F688 PolarHBondContact O-N 3.25Å
685M89.2Confident85.2Confident32 Ų3243.6 Ų43.616%0.15824%0.243CC..Hα-helixtrans-57.5-41.6177.8-88.3-62.6118.700112.8T654 F657 M658 G681 S682 G683 W687 F688 V689T654-M685 HydrophobicContact CG2-CE 3.84Å; T654-M685 HydrophobicContact CG2-SD 3.78Å; F657-M685 HydrophobicContact CB-CE 4.41Å; F657-M685 HydrophobicContact CD1-CE 3.06Å; F657-M685 HydrophobicContact CE1-CE 3.46Å; F657-M685 VanDerWaalsContact CE1-CE 3.46Å; F657-M685 HydrophobicContact CG-CE 4.05Å; M658-M685 HydrophobicContact CG-CE 3.45Å; M658-M685 VanDerWaalsContact CG-CE 3.45Å; M658-M685 HydrophobicContact CG-SD 3.71Å; M658-M685 HydrophobicContact SD-CE 3.39Å; M658-M685 WeakPolarHBondContact SD-CE 3.19Å; M658-M685 HydrophobicContact SD-CG 3.68Å; M658-M685 HydrophobicContact SD-SD 3.39Å; G681-M685 WeakPolarHBondContact O-CB 3.48Å; G681-M685 WeakPolarHBondContact O-CG 3.44Å; G681-M685 PolarHBondContact O-N 3.45Å; S682-M685 WeakPolarHBondContact O-CB 3.37Å; S682-M685 PolarHBondContact O-N 3.32Å; G683-M685 VanDerWaalsContact C-N 3.29Å; G683-M685 PolarHBondContact O-N 3.3Å; M685-W687 VanDerWaalsContact C-N 3.26Å; M685-W687 PolarHBondContact O-N 2.72Å; M685-F688 HydrophobicContact CE-CD2 3.96Å; M685-F688 HydrophobicContact CE-CG 4.4Å; M685-F688 PolarHBondContact O-N 2.92Å; M685-F688 VanDerWaalsContact O-N 3.1Å; M685-V689 WeakPolarHBondContact O-CG2 3.36Å; M685-V689 PolarHBondContact O-N 3.04Å; M685-V689 VanDerWaalsContact O-N 3.08Å
686V87.8Confident84.6Confident100 Ų10045.4 Ų45.461%0.60626%0.257SS*.Hα-helixtrans-57.1-44.6176.1178.90000110.2S682 G683 C684 V689 Y690S682-V686 PolarHBondContact O-N 3.02Å; G683-V686 PolarHBondContact O-N 3.13Å; C684-V686 VanDerWaalsContact C-N 3.3Å; C684-V686 PolarHBondContact O-N 3.37Å; V686-V689 PolarHBondContact O-N 2.9Å; V686-Y690 WeakPolarHBondContact O-CB 3.4Å; V686-Y690 PolarHBondContact O-N 3Å
687W90.7Very high84.2Confident12 Ų1245.5 Ų45.55%0.04527%0.265CS..Hα-helixtrans-68.6-32.9176.6-175.179.5000113.1L583 M584 L587 R650 C684 M685 V689 Y690 A717 D718 A721L583-W687 HydrophobicContact CB-CH2 4.12Å; L583-W687 HydrophobicContact CD2-CH2 3.73Å; L583-W687 HydrophobicContact CD2-CZ2 3.78Å; L583-W687 HydrophobicContact CD2-CZ3 4.18Å; L583-W687 HydrophobicContact CG-CH2 4.24Å; L583-W687 HydrophobicContact CG-CZ3 4.5Å; M584-W687 HydrophobicContact CE-CH2 3.9Å; M584-W687 HydrophobicContact CE-CZ3 4.24Å; M584-W687 HydrophobicContact CG-CH2 3.79Å; M584-W687 HydrophobicContact CG-CZ3 3.52Å; L587-W687 HydrophobicContact CD1-CE3 4.08Å; L587-W687 HydrophobicContact CD1-CZ3 4.11Å; R650-W687 PolarHBondContact NH2-O 3.47Å; C684-W687 PolarHBondContact O-N 3.38Å; C684-W687 VanDerWaalsContact O-N 3.08Å; M685-W687 VanDerWaalsContact C-N 3.26Å; M685-W687 PolarHBondContact O-N 2.72Å; W687-V689 PolarHBondContact O-N 3.25Å; W687-Y690 AromaticContact CD1-CE1 3.56Å; W687-Y690 HydrophobicContact CG-CD1 4.41Å; W687-Y690 HydrophobicContact CG-CE1 4.22Å; W687-Y690 AromaticContact NE1-CE1 3.61Å; W687-Y690 WeakPolarHBondContact O-CD1 3.38Å; W687-Y690 WeakPolarHBondContact O-CE1 3.37Å; W687-A717 VanDerWaalsContact CD1-O 3.27Å; W687-D718 PolarHBondContact NE1-OD1 3.19Å; W687-A721 HydrophobicContact CB-CB 4.18Å; W687-A721 VanDerWaalsContact CD1-CB 3.49Å; W687-A721 HydrophobicContact CD2-CB 3.97Å; W687-A721 HydrophobicContact CG-CB 3.6Å
688F86.8Confident83.5Confident0 Ų045.6 Ų45.60%027%0.266CS..Hα-helixtrans-64.4-40.2175.2-89-75.7000112.6M584 L587 R650 M653 T654 F657 C684 M685M584-F688 HydrophobicContact CB-CE1 3.84Å; M584-F688 HydrophobicContact CB-CZ 4.15Å; M584-F688 HydrophobicContact CG-CD1 4.27Å; M584-F688 HydrophobicContact CG-CE1 3.56Å; M584-F688 HydrophobicContact CG-CZ 4.15Å; M584-F688 HydrophobicContact SD-CD1 4.45Å; M584-F688 HydrophobicContact SD-CE1 4.11Å; L587-F688 HydrophobicContact CB-CE2 4.38Å; L587-F688 HydrophobicContact CB-CZ 4.36Å; L587-F688 HydrophobicContact CD1-CE2 3.84Å; L587-F688 HydrophobicContact CD1-CZ 4.16Å; R650-F688 PolarHBondContact NE-O 3.31Å; M653-F688 HydrophobicContact CB-CE1 4.44Å; T654-F688 HydrophobicContact CG2-CB 3.88Å; T654-F688 HydrophobicContact CG2-CG 4.27Å; T654-F688 VanDerWaalsContact OG1-CD1 3.28Å; T654-F688 WeakPolarHBondContact OG1-CD1 3.35Å; F657-F688 HydrophobicContact CB-CE2 4.08Å; F657-F688 HydrophobicContact CB-CZ 4Å; F657-F688 HydrophobicContact CD1-CD2 4.46Å; F657-F688 HydrophobicContact CD1-CE2 4.12Å; F657-F688 AromaticContact CD2-CE2 3.69Å; F657-F688 HydrophobicContact CD2-CE2 3.69Å; F657-F688 HydrophobicContact CD2-CZ 4.03Å; F657-F688 HydrophobicContact CE1-CE2 4.44Å; F657-F688 HydrophobicContact CE2-CE2 4.09Å; F657-F688 HydrophobicContact CG-CD2 4.41Å; F657-F688 AromaticContact CG-CE2 3.68Å; F657-F688 HydrophobicContact CG-CE2 3.68Å; F657-F688 HydrophobicContact CG-CZ 4.06Å; F657-F688 HydrophobicContact CZ-CE2 4.42Å; C684-F688 HydrophobicContact CB-CD2 4.48Å; C684-F688 HydrophobicContact CB-CE2 4.48Å; C684-F688 VanDerWaalsContact O-CD2 3.28Å; C684-F688 WeakPolarHBondContact O-CD2 3.49Å; C684-F688 PolarHBondContact O-N 3.25Å; M685-F688 HydrophobicContact CE-CD2 3.96Å; M685-F688 HydrophobicContact CE-CG 4.4Å; M685-F688 PolarHBondContact O-N 2.92Å; M685-F688 VanDerWaalsContact O-N 3.1Å
689V83.8Confident82.6Confident48 Ų4847 Ų4729%0.29127%0.273SS..Hα-helixtrans-100.1-13.3-170.1-550000115.3T654 M685 V686 W687 V691 I692 I693T654-V689 HydrophobicContact CG2-CG1 4.32Å; M685-V689 WeakPolarHBondContact O-CG2 3.36Å; M685-V689 PolarHBondContact O-N 3.04Å; M685-V689 VanDerWaalsContact O-N 3.08Å; V686-V689 PolarHBondContact O-N 2.9Å; W687-V689 PolarHBondContact O-N 3.25Å; V689-V691 PolarHBondContact O-N 2.78Å; V689-V691 VanDerWaalsContact O-N 3.13Å; V689-I692 WeakPolarHBondContact O-CB 3.25Å; V689-I692 PolarHBondContact O-N 3.28Å; V689-I693 HydrophobicContact CG2-CD1 4.17Å; V689-I693 PolarHBondContact O-N 3.36Å
690Y86.7Confident82.1Confident27 Ų2748 Ų4811%0.10628%0.279CS..Hα-helixtrans-55.4-38.2-173.182.5-94.6000113.3V686 W687 I692 I693 L694 C714 A717 D718V686-Y690 WeakPolarHBondContact O-CB 3.4Å; V686-Y690 PolarHBondContact O-N 3Å; W687-Y690 AromaticContact CD1-CE1 3.56Å; W687-Y690 HydrophobicContact CG-CD1 4.41Å; W687-Y690 HydrophobicContact CG-CE1 4.22Å; W687-Y690 AromaticContact NE1-CE1 3.61Å; W687-Y690 WeakPolarHBondContact O-CD1 3.38Å; W687-Y690 WeakPolarHBondContact O-CE1 3.37Å; Y690-I692 PolarHBondContact O-N 2.9Å; Y690-I693 PolarHBondContact O-N 3.23Å; Y690-I693 VanDerWaalsContact O-N 3.15Å; Y690-L694 HydrophobicContact CD2-CD2 4.46Å; Y690-L694 HydrophobicContact CE2-CD2 4.5Å; Y690-L694 VanDerWaalsContact O-CB 3.29Å; Y690-L694 WeakPolarHBondContact O-CB 3.48Å; Y690-L694 PolarHBondContact O-N 3.18Å; Y690-C714 HydrophobicContact CE2-CB 4.46Å; Y690-A717 HydrophobicContact CD1-CB 3.85Å; Y690-A717 HydrophobicContact CD2-CB 4.01Å; Y690-A717 HydrophobicContact CE1-CB 3.63Å; Y690-A717 HydrophobicContact CE2-CB 3.83Å; Y690-A717 HydrophobicContact CG-CB 4.04Å; Y690-D718 PolarHBondContact OH-OD1 3.06Å
691V81Confident81.4Confident6 Ų647.8 Ų47.84%0.03628%0.279CS..Hα-helixtrans-61.7-34.7179.9168.70000111.8M637 V689 L694 A695M637-V691 HydrophobicContact CE-CB 4.49Å; M637-V691 HydrophobicContact CE-CG1 3.39Å; M637-V691 HydrophobicContact CE-CG2 4.27Å; M637-V691 HydrophobicContact SD-CG1 3.51Å; M637-V691 VanDerWaalsContact SD-CG1 3.51Å; V689-V691 PolarHBondContact O-N 2.78Å; V689-V691 VanDerWaalsContact O-N 3.13Å; V691-L694 PolarHBondContact O-N 3.37Å; V691-A695 WeakPolarHBondContact O-CB 3.26Å; V691-A695 PolarHBondContact O-N 3.42Å
692I76.5Confident80.8Confident47 Ų4751.7 Ų51.724%0.24130%0.304CS..Hα-helixtrans-70-40.9178.4-55.9168.2000110.1M647 L651 V689 Y690 A695M647-I692 HydrophobicContact CE-CB 4.12Å; M647-I692 HydrophobicContact CE-CG1 3.74Å; M647-I692 HydrophobicContact CE-CG2 4.27Å; L651-I692 HydrophobicContact CD1-CD1 4.46Å; L651-I692 HydrophobicContact CD2-CD1 3.36Å; L651-I692 HydrophobicContact CG-CD1 3.81Å; V689-I692 WeakPolarHBondContact O-CB 3.25Å; V689-I692 PolarHBondContact O-N 3.28Å; Y690-I692 PolarHBondContact O-N 2.9Å; I692-A695 WeakPolarHBondContact O-CB 3.29Å
693I80.1Confident80.1Confident112 Ų11252.4 Ų52.457%0.57430%0.302SS*.Hα-helixtrans-66.4-45.3176.2-60.6173.6000109.8V689 Y690 A695 V696 A697V689-I693 HydrophobicContact CG2-CD1 4.17Å; V689-I693 PolarHBondContact O-N 3.36Å; Y690-I693 PolarHBondContact O-N 3.23Å; Y690-I693 VanDerWaalsContact O-N 3.15Å; I693-A695 VanDerWaalsContact C-N 3.28Å; I693-A695 PolarHBondContact O-N 2.96Å; I693-V696 PolarHBondContact O-N 3.01Å; I693-V696 VanDerWaalsContact O-N 3.11Å; I693-A697 PolarHBondContact O-N 3.49Å; I693-A697 VanDerWaalsContact O-N 3.12Å
694L82Confident79.6Confident18 Ų1851.7 Ų51.79%0.09429%0.288CS..Hα-helixtrans-58.3-44179.1-172.653.7000110.4Y690 V691 V696 A697 V698 I710 I713Y690-L694 HydrophobicContact CD2-CD2 4.46Å; Y690-L694 HydrophobicContact CE2-CD2 4.5Å; Y690-L694 VanDerWaalsContact O-CB 3.29Å; Y690-L694 WeakPolarHBondContact O-CB 3.48Å; Y690-L694 PolarHBondContact O-N 3.18Å; V691-L694 PolarHBondContact O-N 3.37Å; L694-V696 VanDerWaalsContact C-N 3.28Å; L694-V696 PolarHBondContact O-N 3.02Å; L694-A697 CarbonylContact O-C 3.4Å; L694-A697 WeakPolarHBondContact O-CA 3.48Å; L694-A697 WeakPolarHBondContact O-CB 3.24Å; L694-A697 PolarHBondContact O-N 3.45Å; L694-V698 HydrophobicContact CG-CG2 4.47Å; L694-V698 WeakPolarHBondContact O-CG2 3.3Å; L694-V698 PolarHBondContact O-N 2.91Å; L694-I710 HydrophobicContact CD1-CG1 4.48Å; L694-I710 HydrophobicContact CD2-CG2 3.74Å; L694-I710 HydrophobicContact CG-CG2 4.22Å; L694-I713 HydrophobicContact CD1-CD1 3.77Å; L694-I713 HydrophobicContact CD1-CG2 4.21Å; L694-I713 HydrophobicContact CD2-CB 4.26Å; L694-I713 HydrophobicContact CD2-CG2 3.85Å
695A71.4Confident79.3Confident12 Ų1256.6 Ų56.610%0.09930%0.304CS..Hα-helixtrans-50.2-43.5174.700000113.6L638 M647 V691 I692 I693L638-A695 VanDerWaalsContact CD1-CA 3.42Å; L638-A695 HydrophobicContact CD1-CB 3.59Å; L638-A695 WeakPolarHBondContact CD1-O 3.38Å; L638-A695 HydrophobicContact CD2-CB 3.29Å; L638-A695 HydrophobicContact CG-CB 3.66Å; M647-A695 HydrophobicContact CE-CB 4.19Å; V691-A695 WeakPolarHBondContact O-CB 3.26Å; V691-A695 PolarHBondContact O-N 3.42Å; I692-A695 WeakPolarHBondContact O-CB 3.29Å; I693-A695 VanDerWaalsContact C-N 3.28Å; I693-A695 PolarHBondContact O-N 2.96Å
696V72.2Confident78.7Confident110 Ų11056.9 Ų56.967%0.66730%0.303SS*.Hα-helixtrans-71.5-38.6176.9-179.60000111.3I693 L694I693-V696 PolarHBondContact O-N 3.01Å; I693-V696 VanDerWaalsContact O-N 3.11Å; L694-V696 VanDerWaalsContact C-N 3.28Å; L694-V696 PolarHBondContact O-N 3.02Å
697A77.3Confident78.3Confident46 Ų4652.8 Ų52.838%0.3828%0.277SS..Hα-helixtrans-68.9-31.2-179.500000113.3I693 L694 L699 Q700I693-A697 PolarHBondContact O-N 3.49Å; I693-A697 VanDerWaalsContact O-N 3.12Å; L694-A697 CarbonylContact O-C 3.4Å; L694-A697 WeakPolarHBondContact O-CA 3.48Å; L694-A697 WeakPolarHBondContact O-CB 3.24Å; L694-A697 PolarHBondContact O-N 3.45Å; A697-L699 PolarHBondContact O-N 3.33Å; A697-L699 VanDerWaalsContact O-N 3.08Å; A697-Q700 PolarHBondContact O-N 3.06Å
698V70.6Confident78Confident4 Ų453.4 Ų53.42%0.02428%0.28CS..Hα-helixtrans-54-34.6-177.6177.40000112.8L635 L638 L694 Q700 I701 R706 I710L635-V698 HydrophobicContact CD1-CB 4.32Å; L635-V698 HydrophobicContact CD1-CG1 3.51Å; L635-V698 HydrophobicContact CD1-CG2 4.48Å; L638-V698 HydrophobicContact CD1-CB 4.4Å; L638-V698 HydrophobicContact CD1-CG2 4.29Å; L694-V698 HydrophobicContact CG-CG2 4.47Å; L694-V698 WeakPolarHBondContact O-CG2 3.3Å; L694-V698 PolarHBondContact O-N 2.91Å; V698-Q700 PolarHBondContact O-N 3.23Å; V698-I701 PolarHBondContact O-N 3.12Å; V698-R706 VanDerWaalsContact CG1-CD 3.46Å; V698-R706 HydrophobicContact CG1-CG 3.87Å; V698-R706 PolarHBondContact O-NH2 2.95Å; V698-R706 VanDerWaalsContact O-NH2 3.14Å; V698-I710 HydrophobicContact CB-CD1 4.07Å; V698-I710 HydrophobicContact CG1-CD1 3.6Å; V698-I710 HydrophobicContact CG2-CD1 3.35Å; V698-I710 HydrophobicContact CG2-CG1 3.97Å
699L68.3Low78Confident126 Ų12656.8 Ų56.866%0.6630%0.297SS*.THydrogen-bonded Turntrans-62.5-14.5-178.9-63.2178.4000113.6A697A697-L699 PolarHBondContact O-N 3.33Å; A697-L699 VanDerWaalsContact O-N 3.08Å
700Q77.2Confident78Confident152 Ų15254.6 Ų54.671%0.7128%0.284SS*.THydrogen-bonded Turntrans-99.3-10.1176.2-55.6-53.4-71.100113.4A697 V698A697-Q700 PolarHBondContact O-N 3.06Å; V698-Q700 PolarHBondContact O-N 3.23Å
701I74.4Confident77.9Confident28 Ų2854 Ų5414%0.14428%0.283CS..SBendtrans-88.6126.2-178-53.6173.7000109.5V698 R706 I709 I710V698-I701 PolarHBondContact O-N 3.12Å; I701-R706 HydrophobicContact CG2-CB 4.15Å; I701-R706 PolarHBondContact O-NE 2.95Å; I701-R706 PolarHBondContact O-NH2 3.06Å; I701-I709 HydrophobicContact CD1-CG2 3.87Å; I701-I709 HydrophobicContact CG2-CD1 3.79Å; I701-I710 HydrophobicContact CD1-CG1 4.22Å
702P76.5Confident78.4Confident82 Ų8254.7 Ų54.753%0.53229%0.291SS..  trans-55.3143176-24.533.4000112.4L704 W705 R706P702-L704 PolarHBondContact O-N 2.96Å; P702-W705 PolarHBondContact O-N 3.27Å; P702-R706 WeakPolarHBondContact O-CB 3.4Å; P702-R706 PolarHBondContact O-N 3.14Å
703L71.5Confident79Confident79 Ų7955.7 Ų55.741%0.41430%0.297SS..Hα-helixtrans-54.1-39.9-176.2-72168.1000112.9F449 W705 R706F449-L703 HydrophobicContact CE2-CB 4.07Å; L703-W705 VanDerWaalsContact C-N 3.29Å; L703-W705 PolarHBondContact O-N 2.96Å; L703-R706 PolarHBondContact O-N 3.2Å
704L78.4Confident79.4Confident30 Ų3051.4 Ų51.416%0.15728%0.276CS..Hα-helixtrans-62.1-29.5179.7-67167.3000114.1A330 A447 F449 F499 E500 P702A330-L704 HydrophobicContact CB-CD2 3.47Å; A330-L704 VanDerWaalsContact CB-CD2 3.47Å; A447-L704 HydrophobicContact CB-CD1 4.3Å; A447-L704 WeakPolarHBondContact O-CD1 3.37Å; F449-L704 HydrophobicContact CD2-CD2 3.76Å; F449-L704 HydrophobicContact CD2-CG 4.36Å; F449-L704 HydrophobicContact CE2-CD2 3.46Å; F449-L704 VanDerWaalsContact CE2-CD2 3.46Å; F449-L704 HydrophobicContact CE2-CG 4Å; F449-L704 HydrophobicContact CZ-CD2 4.01Å; F499-L704 HydrophobicContact CD1-CB 4.19Å; F499-L704 HydrophobicContact CD1-CD2 4.11Å; F499-L704 HydrophobicContact CE1-CB 4.34Å; E500-L704 VanDerWaalsContact CA-O 3.23Å; E500-L704 WeakPolarHBondContact CA-O 3.49Å; E500-L704 WeakPolarHBondContact CB-O 3.37Å; P702-L704 PolarHBondContact O-N 2.96Å
705W82.1Confident79.9Confident118 Ų11851.3 Ų51.345%0.44728%0.276SS..Hα-helixtrans-107.3-12.3-177-64.895.3000113.2F499 P702 L703 Y707 K708 I709F499-W705 HydrophobicContact CE1-CH2 4.46Å; F499-W705 AromaticContact CE1-CZ2 3.93Å; F499-W705 HydrophobicContact CE1-CZ2 3.93Å; F499-W705 HydrophobicContact CZ-CH2 4.09Å; F499-W705 AromaticContact CZ-CZ2 3.75Å; F499-W705 HydrophobicContact CZ-CZ2 3.75Å; P702-W705 PolarHBondContact O-N 3.27Å; L703-W705 VanDerWaalsContact C-N 3.29Å; L703-W705 PolarHBondContact O-N 2.96Å; W705-Y707 PolarHBondContact O-N 3.37Å; W705-K708 PolarHBondContact O-N 2.77Å; W705-I709 HydrophobicContact CB-CD1 3.77Å; W705-I709 HydrophobicContact CB-CG1 4.45Å; W705-I709 WeakPolarHBondContact O-CG1 3.45Å; W705-I709 PolarHBondContact O-N 3.35Å; W705-I709 VanDerWaalsContact O-N 3.09Å
706R77.7Confident80.9Confident37 Ų3755.6 Ų55.614%0.1430%0.296CS..Hα-helixtrans-56.9-45.7-170.8-177.8176.8-72-176.9-2112.7V698 I701 P702 L703 I710V698-R706 VanDerWaalsContact CG1-CD 3.46Å; V698-R706 HydrophobicContact CG1-CG 3.87Å; V698-R706 PolarHBondContact O-NH2 2.95Å; V698-R706 VanDerWaalsContact O-NH2 3.14Å; I701-R706 HydrophobicContact CG2-CB 4.15Å; I701-R706 PolarHBondContact O-NE 2.95Å; I701-R706 PolarHBondContact O-NH2 3.06Å; P702-R706 WeakPolarHBondContact O-CB 3.4Å; P702-R706 PolarHBondContact O-N 3.14Å; L703-R706 PolarHBondContact O-N 3.2Å; R706-I710 HydrophobicContact CG-CD1 3.4Å; R706-I710 HydrophobicContact CG-CG1 4.38Å; R706-I710 WeakPolarHBondContact O-CB 3.45Å; R706-I710 WeakPolarHBondContact O-CD1 3.14Å; R706-I710 WeakPolarHBondContact O-CG1 3.22Å; R706-I710 PolarHBondContact O-N 3.27Å; R706-I710 VanDerWaalsContact O-N 3.12Å
707Y78.8Confident81.9Confident14 Ų1451.3 Ų51.36%0.05527%0.273CS..Hα-helixtrans-60.4-56.2-178.4-177.5-91.8000111.3R501 T504 I633 W705 I709 I710 T711R501-Y707 VanDerWaalsContact NH1-CE2 3.31Å; R501-Y707 PolarHBondContact NH1-OH 3.31Å; T504-Y707 HydrophobicContact CG2-CD1 3.73Å; T504-Y707 HydrophobicContact CG2-CE1 3.49Å; T504-Y707 VanDerWaalsContact CG2-CE1 3.49Å; I633-Y707 WeakPolarHBondContact O-CE2 3.45Å; W705-Y707 PolarHBondContact O-N 3.37Å; Y707-I709 PolarHBondContact O-N 3.47Å; Y707-I710 PolarHBondContact O-N 2.91Å; Y707-T711 VanDerWaalsContact O-CB 3.32Å; Y707-T711 WeakPolarHBondContact O-CB 3.41Å; Y707-T711 PolarHBondContact O-N 3.29Å; Y707-T711 PolarHBondContact O-OG1 3.32Å
708K85Confident82.6Confident26 Ų2649.3 Ų49.311%0.11326%0.256CS..Hα-helixtrans-57.6-49.6-179-65.9-167-107.8-150.20112.6Q502 D503 T504 W705 G712Q502-K708 VanDerWaalsContact O-CD 3.24Å; Q502-K708 WeakPolarHBondContact O-CD 3.37Å; Q502-K708 WeakPolarHBondContact O-CE 3.47Å; Q502-K708 PolarHBondContact O-NZ 2.95Å; D503-K708 HydrophobicContact CB-CD 4.36Å; D503-K708 IonicContact OD2-NZ 3.62Å; D503-K708 PolarHBondContact OD2-NZ 2.72Å; T504-K708 HydrophobicContact CG2-CG 4.35Å; W705-K708 PolarHBondContact O-N 2.77Å; K708-G712 PolarHBondContact O-N 2.85Å
709I86.3Confident83.7Confident70 Ų7051.4 Ų51.436%0.35926%0.264SS..Hα-helixtrans-63.5-47.9-175.4-67.9172000110.8I701 W705 Y707 G712 I713I701-I709 HydrophobicContact CD1-CG2 3.87Å; I701-I709 HydrophobicContact CG2-CD1 3.79Å; W705-I709 HydrophobicContact CB-CD1 3.77Å; W705-I709 HydrophobicContact CB-CG1 4.45Å; W705-I709 WeakPolarHBondContact O-CG1 3.45Å; W705-I709 PolarHBondContact O-N 3.35Å; W705-I709 VanDerWaalsContact O-N 3.09Å; Y707-I709 PolarHBondContact O-N 3.47Å; I709-G712 PolarHBondContact O-N 2.95Å; I709-I713 HydrophobicContact CG2-CD1 3.78Å; I709-I713 VanDerWaalsContact O-CG1 3.27Å; I709-I713 WeakPolarHBondContact O-CG1 3.44Å; I709-I713 PolarHBondContact O-N 3.42Å
710I83.2Confident84.9Confident3 Ų350.2 Ų50.22%0.01526%0.258CS..Hα-helixtrans-68.5-45.9-177.2-63167.4000110.6P634 L694 V698 I701 R706 Y707 G712 I713 C714P634-I710 HydrophobicContact CB-CB 4.12Å; P634-I710 HydrophobicContact CB-CG2 3.37Å; P634-I710 HydrophobicContact CG-CB 3.4Å; P634-I710 VanDerWaalsContact CG-CB 3.4Å; P634-I710 HydrophobicContact CG-CD1 3.96Å; P634-I710 HydrophobicContact CG-CG1 4.32Å; P634-I710 HydrophobicContact CG-CG2 3.25Å; L694-I710 HydrophobicContact CD1-CG1 4.48Å; L694-I710 HydrophobicContact CD2-CG2 3.74Å; L694-I710 HydrophobicContact CG-CG2 4.22Å; V698-I710 HydrophobicContact CB-CD1 4.07Å; V698-I710 HydrophobicContact CG1-CD1 3.6Å; V698-I710 HydrophobicContact CG2-CD1 3.35Å; V698-I710 HydrophobicContact CG2-CG1 3.97Å; I701-I710 HydrophobicContact CD1-CG1 4.22Å; R706-I710 HydrophobicContact CG-CD1 3.4Å; R706-I710 HydrophobicContact CG-CG1 4.38Å; R706-I710 WeakPolarHBondContact O-CB 3.45Å; R706-I710 WeakPolarHBondContact O-CD1 3.14Å; R706-I710 WeakPolarHBondContact O-CG1 3.22Å; R706-I710 PolarHBondContact O-N 3.27Å; R706-I710 VanDerWaalsContact O-N 3.12Å; Y707-I710 PolarHBondContact O-N 2.91Å; I710-G712 VanDerWaalsContact C-N 3.29Å; I710-G712 PolarHBondContact O-N 2.94Å; I710-I713 PolarHBondContact O-N 3.45Å; I710-C714 PolarHBondContact O-N 3.03Å; I710-C714 PolarHBondContact O-SG 2.91Å; I710-C714 VanDerWaalsContact O-SG 3.33Å
711T85.7Confident85.7Confident14 Ų1443.8 Ų43.89%0.08623%0.23CC..Hα-helixtrans-58.8-42.9177.2-59.90000110.8L507 F508 Y707 C714 I715L507-T711 HydrophobicContact CD2-CG2 3.79Å; F508-T711 HydrophobicContact CE1-CG2 3.93Å; F508-T711 HydrophobicContact CZ-CG2 4.27Å; Y707-T711 VanDerWaalsContact O-CB 3.32Å; Y707-T711 WeakPolarHBondContact O-CB 3.41Å; Y707-T711 PolarHBondContact O-N 3.29Å; Y707-T711 PolarHBondContact O-OG1 3.32Å; T711-C714 PolarHBondContact O-N 3.25Å; T711-I715 HydrophobicContact CG2-CD1 3.84Å; T711-I715 HydrophobicContact CG2-CG1 4.48Å; T711-I715 VanDerWaalsContact O-CG1 3.27Å; T711-I715 WeakPolarHBondContact O-CG1 3.37Å; T711-I715 PolarHBondContact O-N 3.34Å
712G90.9Very high86.6Confident20 Ų2042.4 Ų42.421%0.20622%0.223CC..Hα-helixtrans-61.3-44.1175.200000113.6K708 I709 I710 I715 L716K708-G712 PolarHBondContact O-N 2.85Å; I709-G712 PolarHBondContact O-N 2.95Å; I710-G712 VanDerWaalsContact C-N 3.29Å; I710-G712 PolarHBondContact O-N 2.94Å; G712-I715 PolarHBondContact O-N 3.38Å; G712-L716 WeakPolarHBondContact O-CB 3.45Å; G712-L716 PolarHBondContact O-N 3.04Å
713I89.7Confident87.4Confident69 Ų6940 Ų4035%0.35421%0.209SC..Hα-helixtrans-62.3-44.3176.3-69.2165.7000111.2L694 I709 I710 L716 A717L694-I713 HydrophobicContact CD1-CD1 3.77Å; L694-I713 HydrophobicContact CD1-CG2 4.21Å; L694-I713 HydrophobicContact CD2-CB 4.26Å; L694-I713 HydrophobicContact CD2-CG2 3.85Å; I709-I713 HydrophobicContact CG2-CD1 3.78Å; I709-I713 VanDerWaalsContact O-CG1 3.27Å; I709-I713 WeakPolarHBondContact O-CG1 3.44Å; I709-I713 PolarHBondContact O-N 3.42Å; I710-I713 PolarHBondContact O-N 3.45Å; I713-L716 PolarHBondContact O-N 3.4Å; I713-A717 WeakPolarHBondContact O-CB 3.46Å; I713-A717 PolarHBondContact O-N 2.87Å
714C88.8Confident88.2Confident21 Ų2139 Ų3914%0.14221%0.212CC..Hα-helixtrans-62.3-47.8178.1-67.10000111.6Y690 I710 T711 L716 A717 D718Y690-C714 HydrophobicContact CE2-CB 4.46Å; I710-C714 PolarHBondContact O-N 3.03Å; I710-C714 PolarHBondContact O-SG 2.91Å; I710-C714 VanDerWaalsContact O-SG 3.33Å; T711-C714 PolarHBondContact O-N 3.25Å; C714-L716 VanDerWaalsContact C-N 3.31Å; C714-L716 PolarHBondContact O-N 3.16Å; C714-A717 PolarHBondContact O-N 3.39Å; C714-D718 WeakPolarHBondContact O-CB 3.4Å; C714-D718 PolarHBondContact O-N 3.43Å
715I92.2Very high88.7Confident16 Ų1637.8 Ų37.88%0.08221%0.205CC..Hα-helixtrans-57.7-45.9177.3-70.4169.1000110.7L507 F508 A511 F548 T711 G712 F719L507-I715 HydrophobicContact CD1-CD1 4.3Å; L507-I715 HydrophobicContact CD2-CD1 4.27Å; L507-I715 HydrophobicContact CG-CD1 3.95Å; F508-I715 HydrophobicContact CD1-CD1 4.39Å; A511-I715 HydrophobicContact CB-CD1 4.05Å; A511-I715 HydrophobicContact CB-CG2 3.63Å; F548-I715 HydrophobicContact CE1-CD1 3.93Å; F548-I715 HydrophobicContact CE1-CG1 3.89Å; F548-I715 HydrophobicContact CZ-CD1 4.46Å; F548-I715 HydrophobicContact CZ-CG1 3.99Å; F548-I715 HydrophobicContact CZ-CG2 4.43Å; T711-I715 HydrophobicContact CG2-CD1 3.84Å; T711-I715 HydrophobicContact CG2-CG1 4.48Å; T711-I715 VanDerWaalsContact O-CG1 3.27Å; T711-I715 WeakPolarHBondContact O-CG1 3.37Å; T711-I715 PolarHBondContact O-N 3.34Å; G712-I715 PolarHBondContact O-N 3.38Å; I715-F719 VanDerWaalsContact O-CB 3.25Å; I715-F719 WeakPolarHBondContact O-CB 3.43Å; I715-F719 PolarHBondContact O-N 3.48Å
716L93.3Very high89.1Confident103 Ų10332.5 Ų32.554%0.53919%0.186SC..Hα-helixtrans-63.4-47.2179.4178.862.4000111.9G712 I713 C714 D718 F719 I720G712-L716 WeakPolarHBondContact O-CB 3.45Å; G712-L716 PolarHBondContact O-N 3.04Å; I713-L716 PolarHBondContact O-N 3.4Å; C714-L716 VanDerWaalsContact C-N 3.31Å; C714-L716 PolarHBondContact O-N 3.16Å; L716-D718 VanDerWaalsContact C-N 3.35Å; L716-D718 PolarHBondContact O-N 3.39Å; L716-F719 PolarHBondContact O-N 2.81Å; L716-I720 HydrophobicContact CD1-CD1 4.08Å; L716-I720 HydrophobicContact CD1-CG1 4.37Å; L716-I720 HydrophobicContact CG-CD1 4.06Å; L716-I720 VanDerWaalsContact O-CG1 3.31Å; L716-I720 WeakPolarHBondContact O-CG1 3.44Å; L716-I720 PolarHBondContact O-N 3.36Å
717A91.9Very high89.5Confident20 Ų2036 Ų3617%0.16520%0.204CC..Hα-helixtrans-60.9-44.8179.600000111.5W687 Y690 I713 C714 I720 A721W687-A717 VanDerWaalsContact CD1-O 3.27Å; Y690-A717 HydrophobicContact CD1-CB 3.85Å; Y690-A717 HydrophobicContact CD2-CB 4.01Å; Y690-A717 HydrophobicContact CE1-CB 3.63Å; Y690-A717 HydrophobicContact CE2-CB 3.83Å; Y690-A717 HydrophobicContact CG-CB 4.04Å; I713-A717 WeakPolarHBondContact O-CB 3.46Å; I713-A717 PolarHBondContact O-N 2.87Å; C714-A717 PolarHBondContact O-N 3.39Å; A717-I720 PolarHBondContact O-N 2.93Å; A717-A721 PolarHBondContact O-N 3.32Å; A717-A721 VanDerWaalsContact O-N 3.15Å
718D91.9Very high89.6Confident4 Ų435.8 Ų35.82%0.02120%0.203CC..Hα-helixtrans-65.4-44.8177-61.7-16.6000110.9F515 R544 W687 Y690 C714 L716 I720 A721 Y722F515-D718 HydrophobicContact CZ-CB 4.12Å; R544-D718 IonicContact CZ-OD2 2.74Å; R544-D718 IonicContact NH1-OD2 3.17Å; R544-D718 PolarHBondContact NH1-OD2 2.83Å; R544-D718 IonicContact NH2-OD2 3.18Å; R544-D718 PolarHBondContact NH2-OD2 3.47Å; W687-D718 PolarHBondContact NE1-OD1 3.19Å; Y690-D718 PolarHBondContact OH-OD1 3.06Å; C714-D718 WeakPolarHBondContact O-CB 3.4Å; C714-D718 PolarHBondContact O-N 3.43Å; L716-D718 VanDerWaalsContact C-N 3.35Å; L716-D718 PolarHBondContact O-N 3.39Å; D718-I720 VanDerWaalsContact C-N 3.3Å; D718-I720 PolarHBondContact O-N 3.35Å; D718-A721 PolarHBondContact O-N 2.92Å; D718-A721 VanDerWaalsContact O-N 3.11Å; D718-Y722 HydrophobicContact CB-CD2 4.47Å; D718-Y722 VanDerWaalsContact O-CD2 3.25Å; D718-Y722 WeakPolarHBondContact O-CD2 3.42Å; D718-Y722 PolarHBondContact O-N 3.17Å
719F94.7Very high89.4Confident47 Ų4734.6 Ų34.621%0.20620%0.198CC..Hα-helixtrans-56.4-43.8177.7176.6-103000112.1L514 F515 L518 I715 L716 S723L514-F719 HydrophobicContact CB-CD2 3.88Å; L514-F719 HydrophobicContact CB-CE2 3.65Å; L514-F719 HydrophobicContact CB-CZ 4.39Å; L514-F719 HydrophobicContact CD1-CD2 4.22Å; L514-F719 HydrophobicContact CD1-CE2 4.19Å; L514-F719 HydrophobicContact CD1-CG 4.4Å; L514-F719 HydrophobicContact CD1-CZ 4.34Å; L514-F719 HydrophobicContact CD2-CE2 4.16Å; L514-F719 HydrophobicContact CD2-CZ 4.07Å; L514-F719 HydrophobicContact CG-CE2 4.23Å; F515-F719 HydrophobicContact CD2-CD2 4.26Å; F515-F719 HydrophobicContact CE2-CB 3.83Å; F515-F719 HydrophobicContact CE2-CD2 4.12Å; F515-F719 HydrophobicContact CE2-CG 4.48Å; F515-F719 HydrophobicContact CZ-CB 4.09Å; L518-F719 HydrophobicContact CD1-CD2 3.61Å; L518-F719 HydrophobicContact CD1-CE2 3.5Å; L518-F719 VanDerWaalsContact CD1-CE2 3.5Å; L518-F719 HydrophobicContact CD1-CZ 4.47Å; L518-F719 HydrophobicContact CD2-CE2 4.45Å; L518-F719 HydrophobicContact CG-CD2 4.44Å; L518-F719 HydrophobicContact CG-CE2 3.86Å; I715-F719 VanDerWaalsContact O-CB 3.25Å; I715-F719 WeakPolarHBondContact O-CB 3.43Å; I715-F719 PolarHBondContact O-N 3.48Å; L716-F719 PolarHBondContact O-N 2.81Å; F719-S723 VanDerWaalsContact O-CB 3.26Å; F719-S723 WeakPolarHBondContact O-CB 3.19Å; F719-S723 PolarHBondContact O-N 3.1Å; F719-S723 PolarHBondContact O-OG 2.84Å
720I93.9Very high89.1Confident102 Ų10235 Ų3552%0.52320%0.195SC..Hα-helixtrans-61.5-45.6176.3-68.5166.8000110.7L716 A717 D718 S723 A724L716-I720 HydrophobicContact CD1-CD1 4.08Å; L716-I720 HydrophobicContact CD1-CG1 4.37Å; L716-I720 HydrophobicContact CG-CD1 4.06Å; L716-I720 VanDerWaalsContact O-CG1 3.31Å; L716-I720 WeakPolarHBondContact O-CG1 3.44Å; L716-I720 PolarHBondContact O-N 3.36Å; A717-I720 PolarHBondContact O-N 2.93Å; D718-I720 VanDerWaalsContact C-N 3.3Å; D718-I720 PolarHBondContact O-N 3.35Å; I720-S723 PolarHBondContact O-N 3.31Å; I720-A724 WeakPolarHBondContact O-CB 3.42Å; I720-A724 PolarHBondContact O-N 2.77Å
721A92.5Very high88.4Confident16 Ų1636.4 Ų36.413%0.13220%0.204CC..Hα-helixtrans-63.9-45.5-179.900000112.5L583 W687 A717 D718 A724 L725L583-A721 HydrophobicContact CD2-CB 4.42Å; W687-A721 HydrophobicContact CB-CB 4.18Å; W687-A721 VanDerWaalsContact CD1-CB 3.49Å; W687-A721 HydrophobicContact CD2-CB 3.97Å; W687-A721 HydrophobicContact CG-CB 3.6Å; A717-A721 PolarHBondContact O-N 3.32Å; A717-A721 VanDerWaalsContact O-N 3.15Å; D718-A721 PolarHBondContact O-N 2.92Å; D718-A721 VanDerWaalsContact O-N 3.11Å; A721-A724 PolarHBondContact O-N 3.15Å; A721-L725 PolarHBondContact O-N 2.96Å
722Y93.9Very high87.4Confident0 Ų043 Ų430%024%0.235CC..Hα-helixtrans-64.2-43.3175.4-82.8-80.8000111.6F515 L537 F540 L541 R544 A579 L583 D718 A724 L725 V726F515-Y722 AromaticContact CE1-CD2 3.56Å; F515-Y722 HydrophobicContact CE1-CD2 3.56Å; F515-Y722 AromaticContact CE1-CE2 3.99Å; F515-Y722 HydrophobicContact CE1-CE2 3.99Å; F515-Y722 HydrophobicContact CE1-CG 4.07Å; F515-Y722 HydrophobicContact CZ-CD2 4.19Å; L537-Y722 HydrophobicContact CD1-CD1 3.81Å; L537-Y722 HydrophobicContact CD1-CE1 3.96Å; F540-Y722 HydrophobicContact CB-CE1 4.02Å; L541-Y722 HydrophobicContact CD2-CD1 3.4Å; L541-Y722 HydrophobicContact CD2-CE1 4.03Å; L541-Y722 HydrophobicContact CD2-CG 3.82Å; L541-Y722 HydrophobicContact CG-CD1 3.7Å; L541-Y722 HydrophobicContact CG-CE1 4.05Å; R544-Y722 HydrophobicContact CG-CE2 4.09Å; A579-Y722 PolarHBondContact O-OH 3.28Å; L583-Y722 HydrophobicContact CD1-CD1 4.19Å; L583-Y722 HydrophobicContact CD1-CE1 3.77Å; L583-Y722 HydrophobicContact CD2-CD2 4.04Å; L583-Y722 HydrophobicContact CD2-CE1 4.22Å; L583-Y722 HydrophobicContact CD2-CE2 3.67Å; L583-Y722 HydrophobicContact CD2-CG 4.47Å; D718-Y722 HydrophobicContact CB-CD2 4.47Å; D718-Y722 VanDerWaalsContact O-CD2 3.25Å; D718-Y722 WeakPolarHBondContact O-CD2 3.42Å; D718-Y722 PolarHBondContact O-N 3.17Å; Y722-A724 VanDerWaalsContact C-N 3.32Å; Y722-A724 PolarHBondContact O-N 2.97Å; Y722-L725 PolarHBondContact O-N 3.01Å; Y722-L725 VanDerWaalsContact O-N 3.17Å; Y722-V726 WeakPolarHBondContact O-CG2 3.47Å; Y722-V726 PolarHBondContact O-N 3.48Å
723S93.1Very high85.9Confident32 Ų3243 Ų4322%0.22423%0.231CC..Hα-helixtrans-59-43.2177.6-61.20000112F719 I720 L725 V726 H727F719-S723 VanDerWaalsContact O-CB 3.26Å; F719-S723 WeakPolarHBondContact O-CB 3.19Å; F719-S723 PolarHBondContact O-N 3.1Å; F719-S723 PolarHBondContact O-OG 2.84Å; I720-S723 PolarHBondContact O-N 3.31Å; S723-L725 VanDerWaalsContact C-N 3.32Å; S723-L725 PolarHBondContact O-N 3.01Å; S723-V726 PolarHBondContact O-N 3.23Å; S723-H727 WeakPolarHBondContact O-CB 3.45Å; S723-H727 PolarHBondContact O-N 3.29Å
724A89.3Confident84.2Confident58 Ų5842.4 Ų42.448%0.47924%0.242SC..Hα-helixtrans-61.1-39.617700000112.2I720 A721 Y722 L728I720-A724 WeakPolarHBondContact O-CB 3.42Å; I720-A724 PolarHBondContact O-N 2.77Å; A721-A724 PolarHBondContact O-N 3.15Å; Y722-A724 VanDerWaalsContact C-N 3.32Å; Y722-A724 PolarHBondContact O-N 2.97Å; A724-L728 WeakPolarHBondContact O-CB 3.39Å; A724-L728 PolarHBondContact O-N 3.23Å
725L88.1Confident82.5Confident3 Ų346.3 Ų46.32%0.01626%0.257CS..Hα-helixtrans-74.1-39.6178.2-71.3170.2000113.1L537 L583 L587 F680 A721 Y722 S723 H727 L728 F729L537-L725 HydrophobicContact CD1-CB 4.34Å; L537-L725 HydrophobicContact CD1-CD1 4.23Å; L537-L725 HydrophobicContact CD2-CB 3.73Å; L583-L725 HydrophobicContact CD1-CD1 3.41Å; L583-L725 VanDerWaalsContact CD1-CD1 3.41Å; L583-L725 HydrophobicContact CG-CD1 4.22Å; L587-L725 HydrophobicContact CD2-CD1 3.95Å; L587-L725 HydrophobicContact CD2-CD2 3.75Å; L587-L725 HydrophobicContact CD2-CG 4.29Å; L587-L725 HydrophobicContact CG-CD1 4.48Å; F680-L725 HydrophobicContact CE2-CD2 4.16Å; F680-L725 HydrophobicContact CZ-CD2 4.21Å; A721-L725 PolarHBondContact O-N 2.96Å; Y722-L725 PolarHBondContact O-N 3.01Å; Y722-L725 VanDerWaalsContact O-N 3.17Å; S723-L725 VanDerWaalsContact C-N 3.32Å; S723-L725 PolarHBondContact O-N 3.01Å; L725-H727 VanDerWaalsContact C-N 3.28Å; L725-H727 PolarHBondContact O-N 2.69Å; L725-L728 HydrophobicContact CD2-CD2 4.37Å; L725-L728 PolarHBondContact O-N 3.3Å; L725-F729 HydrophobicContact CB-CD2 4.5Å; L725-F729 HydrophobicContact CB-CE2 4.31Å; L725-F729 HydrophobicContact CD2-CE2 4.06Å; L725-F729 HydrophobicContact CD2-CZ 4.49Å; L725-F729 WeakPolarHBondContact O-CD2 3.3Å; L725-F729 PolarHBondContact O-N 3.42Å
726V89.8Confident80.7Confident8 Ų846.8 Ų46.85%0.04826%0.259CS..Hα-helixtrans-60-42.5173.2172.90000110.1L518 A521 Q522 L537 L541 Y722 S723 F729 W730L518-V726 HydrophobicContact CD2-CG2 4.42Å; A521-V726 HydrophobicContact CB-CG1 4.07Å; Q522-V726 HydrophobicContact CB-CG2 4.17Å; L537-V726 HydrophobicContact CD2-CG2 4.17Å; L541-V726 HydrophobicContact CD1-CG2 3.82Å; Y722-V726 WeakPolarHBondContact O-CG2 3.47Å; Y722-V726 PolarHBondContact O-N 3.48Å; S723-V726 PolarHBondContact O-N 3.23Å; V726-F729 PolarHBondContact O-N 2.72Å; V726-W730 PolarHBondContact O-N 3.34Å
727H87.4Confident78.7Confident111 Ų11147.8 Ų47.851%0.51426%0.256SS..Hα-helixtrans-63.9-43.2174.3179.573.2000112.4S723 L725 F729 W730S723-H727 WeakPolarHBondContact O-CB 3.45Å; S723-H727 PolarHBondContact O-N 3.29Å; L725-H727 VanDerWaalsContact C-N 3.28Å; L725-H727 PolarHBondContact O-N 2.69Å; H727-F729 VanDerWaalsContact C-N 3.33Å; H727-F729 PolarHBondContact O-N 3.04Å; H727-W730 WeakPolarHBondContact O-CB 3.34Å; H727-W730 PolarHBondContact O-N 3.48Å
728L80.8Confident76.8Confident8 Ų848.6 Ų48.64%0.04226%0.262CS..Hα-helixtrans-60.5-41.1178.6-179.460.5000112.2F676 F680 A724 L725 W730 S733 K735F676-L728 HydrophobicContact CE2-CD1 4.38Å; F676-L728 HydrophobicContact CZ-CD1 3.65Å; F680-L728 HydrophobicContact CD2-CD2 4.24Å; F680-L728 HydrophobicContact CE2-CD2 3.72Å; F680-L728 HydrophobicContact CZ-CD2 4.19Å; A724-L728 WeakPolarHBondContact O-CB 3.39Å; A724-L728 PolarHBondContact O-N 3.23Å; L725-L728 HydrophobicContact CD2-CD2 4.37Å; L725-L728 PolarHBondContact O-N 3.3Å; L728-W730 VanDerWaalsContact C-N 3.34Å; L728-S733 PolarHBondContact O-OG 3.42Å; L728-K735 HydrophobicContact CD1-CB 4.44Å
729F79.3Confident75.1Confident1 Ų149.2 Ų49.20%0.00426%0.264CS..Hα-helixtrans-870.4-177.9-62.3-52000114.7S525 V533 L537 V590 L725 V726 H727 Q736S525-F729 PolarHBondContact OG-O 3.42Å; V533-F729 HydrophobicContact CG1-CD1 4.13Å; V533-F729 HydrophobicContact CG1-CD2 4.32Å; V533-F729 HydrophobicContact CG1-CE1 3.52Å; V533-F729 HydrophobicContact CG1-CE2 3.73Å; V533-F729 HydrophobicContact CG1-CZ 3.3Å; L537-F729 HydrophobicContact CD2-CD2 3.67Å; L537-F729 HydrophobicContact CD2-CE2 4.07Å; V590-F729 HydrophobicContact CG2-CZ 3.85Å; L725-F729 HydrophobicContact CB-CD2 4.5Å; L725-F729 HydrophobicContact CB-CE2 4.31Å; L725-F729 HydrophobicContact CD2-CE2 4.06Å; L725-F729 HydrophobicContact CD2-CZ 4.49Å; L725-F729 WeakPolarHBondContact O-CD2 3.3Å; L725-F729 PolarHBondContact O-N 3.42Å; V726-F729 PolarHBondContact O-N 2.72Å; H727-F729 VanDerWaalsContact C-N 3.33Å; H727-F729 PolarHBondContact O-N 3.04Å; F729-Q736 PolarHBondContact O-NE2 3.08Å
730W81.4Confident73.2Confident78 Ų7850.4 Ų50.430%0.29527%0.27SS..  trans-60.9137.4-178.5-168.6-101.4000112.5A521 H524 V726 H727 L728 Q732 S733 Q736A521-W730 HydrophobicContact CB-CZ3 4.1Å; A521-W730 WeakPolarHBondContact O-CZ3 3.44Å; H524-W730 AromaticContact CD2-CH2 3.69Å; V726-W730 PolarHBondContact O-N 3.34Å; H727-W730 WeakPolarHBondContact O-CB 3.34Å; H727-W730 PolarHBondContact O-N 3.48Å; L728-W730 VanDerWaalsContact C-N 3.34Å; W730-Q732 PolarHBondContact O-N 2.92Å; W730-S733 PolarHBondContact O-N 3.29Å; W730-Q736 VanDerWaalsContact O-CD 3.27Å; W730-Q736 PolarHBondContact O-OE1 3.34Å
731P68.5Low71Confident33 Ų3348.5 Ų48.521%0.21426%0.259CS..THydrogen-bonded Turntrans-65.8-7.2-168.1-2033.1000116.6S525 K528 Q736S525-P731 WeakPolarHBondContact OG-CD 3.43Å; K528-P731 HydrophobicContact CB-CB 4.03Å; K528-P731 HydrophobicContact CB-CG 3.67Å; K528-P731 HydrophobicContact CD-CB 4.42Å; K528-P731 HydrophobicContact CD-CG 4.13Å; P731-Q736 VanDerWaalsContact CA-OE1 3.27Å
732Q64.2Low68.9Low154 Ų15454.5 Ų54.572%0.7228%0.284SS*.THydrogen-bonded Turntrans-128.68-175.9-73.4-178.3-31.600113.2W730 G734W730-Q732 PolarHBondContact O-N 2.92Å; Q732-G734 PolarHBondContact O-N 3.01Å
733S60.1Low66.5Low18 Ų1859.8 Ų59.813%0.12632%0.321CS..  trans-71129.9175.9750000108.8L728 W730 K735 Q736L728-S733 PolarHBondContact O-OG 3.42Å; W730-S733 PolarHBondContact O-N 3.29Å; S733-K735 PolarHBondContact O-N 2.87Å; S733-Q736 WeakPolarHBondContact O-CA 3.33Å; S733-Q736 VanDerWaalsContact O-CB 3.25Å; S733-Q736 WeakPolarHBondContact O-CB 3.09Å; S733-Q736 PolarHBondContact O-N 2.92Å; S733-Q736 PolarHBondContact OG-N 2.99Å
734G53.3Low63.9Low58 Ų5863.5 Ų63.560%0.59834%0.342SS*.Hα-helixtrans-54.2-26.7173.400000112.3Q732 Q736 R737 A738Q732-G734 PolarHBondContact O-N 3.01Å; G734-Q736 VanDerWaalsContact C-N 3.31Å; G734-Q736 PolarHBondContact O-N 3.41Å; G734-R737 WeakPolarHBondContact O-CB 3.49Å; G734-R737 PolarHBondContact O-N 3.5Å; G734-R737 VanDerWaalsContact O-N 3.17Å; G734-A738 PolarHBondContact O-N 3.19Å
735K54.1Low61.6Low103 Ų10365.4 Ų65.445%0.44835%0.348SS..Hα-helixtrans-64.7-29172.5-62.1179.1177.5178.30113.4F676 L728 S733 A738 Y739F676-K735 HydrophobicContact CE2-CD 3.96Å; F676-K735 HydrophobicContact CE2-CG 4.44Å; L728-K735 HydrophobicContact CD1-CB 4.44Å; S733-K735 PolarHBondContact O-N 2.87Å; K735-A738 PolarHBondContact O-N 3.25Å; K735-Y739 PolarHBondContact O-N 3.48Å
736Q54.4Low59.4Low26 Ų2674.2 Ų74.212%0.12138%0.381CS..Hα-helixtrans-67.5-37172.4-124.3-159.45.800111.6F729 W730 P731 S733 G734 A738 Y739 F740F729-Q736 PolarHBondContact O-NE2 3.08Å; W730-Q736 VanDerWaalsContact O-CD 3.27Å; W730-Q736 PolarHBondContact O-OE1 3.34Å; P731-Q736 VanDerWaalsContact CA-OE1 3.27Å; S733-Q736 WeakPolarHBondContact O-CA 3.33Å; S733-Q736 VanDerWaalsContact O-CB 3.25Å; S733-Q736 WeakPolarHBondContact O-CB 3.09Å; S733-Q736 PolarHBondContact O-N 2.92Å; S733-Q736 PolarHBondContact OG-N 2.99Å; G734-Q736 VanDerWaalsContact C-N 3.31Å; G734-Q736 PolarHBondContact O-N 3.41Å; Q736-A738 VanDerWaalsContact C-N 3.31Å; Q736-A738 PolarHBondContact O-N 3.47Å; Q736-Y739 PolarHBondContact O-N 3.31Å; Q736-F740 HydrophobicContact CG-CD2 3.91Å; Q736-F740 HydrophobicContact CG-CE2 3.94Å; Q736-F740 WeakPolarHBondContact O-CD2 3.45Å; Q736-F740 PolarHBondContact O-N 2.98Å
737R50.6Low56.9Low124 Ų12483.4 Ų83.447%0.46842%0.423SS..Hα-helixtrans-60.6-45.2172.8-74.3-174.6-173.5161.2-0.1110.3G734 Y739 F740 E741G734-R737 WeakPolarHBondContact O-CB 3.49Å; G734-R737 PolarHBondContact O-N 3.5Å; G734-R737 VanDerWaalsContact O-N 3.17Å; R737-Y739 VanDerWaalsContact C-N 3.31Å; R737-Y739 PolarHBondContact O-N 3.24Å; R737-F740 PolarHBondContact O-N 3.35Å; R737-E741 WeakPolarHBondContact O-CB 3.36Å; R737-E741 PolarHBondContact O-N 2.87Å
738A52.4Low54.7Low37 Ų3783.9 Ų83.931%0.30644%0.439SS..Hα-helixtrans-60.7-36.7175.400000113.6R673 G734 K735 Q736R673-A738 PolarHBondContact NH2-O 3.19Å; G734-A738 PolarHBondContact O-N 3.19Å; K735-A738 PolarHBondContact O-N 3.25Å; Q736-A738 VanDerWaalsContact C-N 3.31Å; Q736-A738 PolarHBondContact O-N 3.47Å
739Y55.2Low52.7Low16 Ų1684.8 Ų84.86%0.06345%0.45CS..Hα-helixtrans-74.5-30.6179.4-162.3-74000113.3V590 W594 I598 K735 Q736 R737V590-Y739 WeakPolarHBondContact CA-OH 3.39Å; V590-Y739 HydrophobicContact CG1-CE2 3.83Å; V590-Y739 WeakPolarHBondContact CG1-OH 3.25Å; V590-Y739 PolarHBondContact O-OH 3.49Å; W594-Y739 AromaticContact CE3-CD2 3.72Å; W594-Y739 HydrophobicContact CE3-CD2 3.72Å; W594-Y739 AromaticContact CE3-CE2 3.43Å; W594-Y739 HydrophobicContact CE3-CE2 3.43Å; W594-Y739 VanDerWaalsContact CE3-CE2 3.43Å; W594-Y739 HydrophobicContact CE3-CG 4.45Å; W594-Y739 HydrophobicContact CH2-CD2 4.08Å; W594-Y739 AromaticContact CZ3-CD2 3.14Å; W594-Y739 HydrophobicContact CZ3-CD2 3.14Å; W594-Y739 AromaticContact CZ3-CE2 3.36Å; W594-Y739 HydrophobicContact CZ3-CE2 3.36Å; W594-Y739 AromaticContact CZ3-CG 3.89Å; W594-Y739 HydrophobicContact CZ3-CG 3.89Å; I598-Y739 HydrophobicContact CD1-CE1 4.47Å; K735-Y739 PolarHBondContact O-N 3.48Å; Q736-Y739 PolarHBondContact O-N 3.31Å; R737-Y739 VanDerWaalsContact C-N 3.31Å; R737-Y739 PolarHBondContact O-N 3.24Å
740F54.2Low50.8Low73 Ų7387.2 Ų87.232%0.3248%0.476SS..Hα-helixtrans-119.6-7.3-167.2-70.7-81.9000116K531 Q736 R737 E742K531-F740 HydrophobicContact CD-CD1 4.24Å; K531-F740 HydrophobicContact CD-CD2 4.49Å; K531-F740 HydrophobicContact CD-CE1 3.59Å; K531-F740 HydrophobicContact CD-CE2 3.87Å; K531-F740 HydrophobicContact CD-CZ 3.39Å; Q736-F740 HydrophobicContact CG-CD2 3.91Å; Q736-F740 HydrophobicContact CG-CE2 3.94Å; Q736-F740 WeakPolarHBondContact O-CD2 3.45Å; Q736-F740 PolarHBondContact O-N 2.98Å; R737-F740 PolarHBondContact O-N 3.35Å; F740-E742 PolarHBondContact O-N 3.22Å; F740-E742 VanDerWaalsContact O-N 3.11Å
741E49.4Very low49.1Very low62 Ų6291.7 Ų91.729%0.2950%0.5SS..  trans-72.4106.5173.4-84.7-176.3157.200111.7R737 W753R737-E741 WeakPolarHBondContact O-CB 3.36Å; R737-E741 PolarHBondContact O-N 2.87Å; E741-W753 VanDerWaalsContact OE1-CZ2 3.32Å; E741-W753 WeakPolarHBondContact OE1-CZ2 3.37Å; E741-W753 VanDerWaalsContact OE2-CZ2 3.28Å; E741-W753 WeakPolarHBondContact OE2-CZ2 3.37Å
742E48Very low48Very low142 Ų14297.5 Ų97.566%0.66452%0.524SS*.  trans-57.5134.4163.2-102.4174.4-179.200110.3F740 T744 T745F740-E742 PolarHBondContact O-N 3.22Å; F740-E742 VanDerWaalsContact O-N 3.11Å; E742-T744 PolarHBondContact O-N 3.11Å; E742-T745 PolarHBondContact O-OG1 2.63Å
743S42.6Very low47Very low111 Ų11194.4 Ų94.478%0.77651%0.506SS*.THydrogen-bonded Turntrans-60.4-7.3179.547.40000114.7
744T38.9Very low46.4Very low110 Ų110100 Ų10068%0.67553%0.53SS*.THydrogen-bonded Turntrans-88.4-8.8-173.131.60000115.5E742E742-T744 PolarHBondContact O-N 3.11Å
745T41.9Very low46.3Very low98 Ų98104.3 Ų104.360%0.60154%0.535SS*.SBendtrans-98-2.1179.535.50000114.9E742 Q747E742-T745 PolarHBondContact O-OG1 2.63Å; T745-Q747 VanDerWaalsContact C-N 3.26Å; T745-Q747 PolarHBondContact O-N 3.5Å; T745-Q747 VanDerWaalsContact O-N 3.16Å
746R40.7Very low46.2Very low187 Ų187103.8 Ų103.871%0.70653%0.532SS*.THydrogen-bonded Turntrans-71.4-3.7-176.9-99-177.6-179.9175.3-2.9116.6
747Q38.5Very low45.9Very low201 Ų201107.6 Ų107.694%0.93955%0.55SS**THydrogen-bonded Turntrans-84.4-5179.7-86.9-175.9-22.300115.2T745T745-Q747 VanDerWaalsContact C-N 3.26Å; T745-Q747 PolarHBondContact O-N 3.5Å; T745-Q747 VanDerWaalsContact O-N 3.16Å
748S40.3Very low45.9Very low122 Ų122108.6 Ų108.685%0.85356%0.56SS**SBendtrans-129.61.9-174.6-173.50000115.4
749G37.8Very low45.6Very low26 Ų26109.3 Ų109.327%0.26856%0.563SS.*  trans-134.522.3-171.300000115.3E751G749-E751 VanDerWaalsContact C-N 3.28Å; G749-E751 PolarHBondContact O-N 3.13Å
750G40.2Very low45.1Very low52 Ų52113.2 Ų113.254%0.53658%0.584SS.*Hα-helixtrans-63.3-28.1-176.900000114.6
751E45.3Very low44.9Very low172 Ų172115.3 Ų115.380%0.80460%0.597SS**Hα-helixtrans-80.4-32.4-177.5-70.4178.3160.500113.2G749 W753G749-E751 VanDerWaalsContact C-N 3.28Å; G749-E751 PolarHBondContact O-N 3.13Å; E751-W753 VanDerWaalsContact C-N 3.33Å; E751-W753 PolarHBondContact O-N 2.93Å
752E46.2Very low44.7Very low155 Ų155116 Ų11672%0.72461%0.609SS**Hα-helixtrans-74.4-23178.7-75.6-173.8158.800113.3F756E752-F756 PolarHBondContact O-N 3.5Å
753W43.4Very low44.6Very low89 Ų89114.3 Ų114.334%0.33761%0.609SS.*Hα-helixtrans-77.8-33.7179.4-89.992.1000113E741 E751 F756 E757E741-W753 VanDerWaalsContact OE1-CZ2 3.32Å; E741-W753 WeakPolarHBondContact OE1-CZ2 3.37Å; E741-W753 VanDerWaalsContact OE2-CZ2 3.28Å; E741-W753 WeakPolarHBondContact OE2-CZ2 3.37Å; E751-W753 VanDerWaalsContact C-N 3.33Å; E751-W753 PolarHBondContact O-N 2.93Å; W753-F756 PolarHBondContact O-N 2.93Å; W753-E757 PolarHBondContact O-N 3.37Å; W753-E757 VanDerWaalsContact O-N 3.15Å
754E47.8Very low44.7Very low136 Ų136116.2 Ų116.264%0.63661%0.61SS**Hα-helixtrans-69.2-36.9174.8-74.2-175.2167.800111.9Q758E754-Q758 WeakPolarHBondContact O-CG 3.23Å; E754-Q758 PolarHBondContact O-N 2.87Å; E754-Q758 VanDerWaalsContact O-N 3.13Å
755E51Low44.8Very low149 Ų149119.4 Ų119.470%0.69662%0.617SS**Hα-helixtrans-67.8-35.6175.3-75.7-170.4157.100112.7S759E755-S759 PolarHBondContact O-N 3.11Å; E755-S759 VanDerWaalsContact O-N 3.12Å
756F50.5Low44.5Very low91 Ų91128.9 Ų128.940%0.39964%0.642SS.*Hα-helixtrans-73-39.5178.7-170.2-103.5000112.5E752 W753 S759 I760E752-F756 PolarHBondContact O-N 3.5Å; W753-F756 PolarHBondContact O-N 2.93Å; F756-S759 PolarHBondContact O-N 2.69Å; F756-S759 PolarHBondContact O-OG 3.4Å; F756-I760 HydrophobicContact CD1-CD1 4.03Å; F756-I760 HydrophobicContact CE1-CD1 3.43Å; F756-I760 VanDerWaalsContact CE1-CD1 3.43Å; F756-I760 HydrophobicContact CE1-CG1 4.44Å; F756-I760 HydrophobicContact CZ-CD1 3.79Å; F756-I760 PolarHBondContact O-N 3.16Å
757E49Very low44.7Very low107 Ų107126 Ų12650%0.564%0.639SS.*Hα-helixtrans-63.5-40.9173.2-81.8-173.1171.300112.1W753 S759 I760 I761W753-E757 PolarHBondContact O-N 3.37Å; W753-E757 VanDerWaalsContact O-N 3.15Å; E757-S759 VanDerWaalsContact C-N 3.28Å; E757-S759 PolarHBondContact O-N 3.3Å; E757-I760 PolarHBondContact O-N 2.97Å; E757-I761 WeakPolarHBondContact O-CD1 3.4Å; E757-I761 VanDerWaalsContact O-CG1 3.31Å; E757-I761 WeakPolarHBondContact O-CG1 3.4Å; E757-I761 PolarHBondContact O-N 3.43Å
758Q51.6Low45Very low144 Ų144122.1 Ų122.167%0.67362%0.623SS**Hα-helixtrans-63.3-33.7174-74.6-168.56.600112.6E754 S762E754-Q758 WeakPolarHBondContact O-CG 3.23Å; E754-Q758 PolarHBondContact O-N 2.87Å; E754-Q758 VanDerWaalsContact O-N 3.13Å; Q758-S762 WeakPolarHBondContact O-CB 3.35Å; Q758-S762 PolarHBondContact O-N 3.45Å; Q758-S762 VanDerWaalsContact O-N 3.12Å
759S45.2Very low45.3Very low53 Ų53122.1 Ų122.137%0.37161%0.611SS.*Hα-helixtrans-68-36.3178.979.20000113.4E755 F756 E757 S762 T763E755-S759 PolarHBondContact O-N 3.11Å; E755-S759 VanDerWaalsContact O-N 3.12Å; F756-S759 PolarHBondContact O-N 2.69Å; F756-S759 PolarHBondContact O-OG 3.4Å; E757-S759 VanDerWaalsContact C-N 3.28Å; E757-S759 PolarHBondContact O-N 3.3Å; S759-S762 PolarHBondContact O-OG 3.19Å; S759-T763 PolarHBondContact O-OG1 3.48Å
760I45.4Very low45.7Very low97 Ų97127.7 Ų127.750%0.49763%0.631SS.*Hα-helixtrans-77.8-36.9-179.8-67.7176.7000111.5F756 E757 S762 T763F756-I760 HydrophobicContact CD1-CD1 4.03Å; F756-I760 HydrophobicContact CE1-CD1 3.43Å; F756-I760 VanDerWaalsContact CE1-CD1 3.43Å; F756-I760 HydrophobicContact CE1-CG1 4.44Å; F756-I760 HydrophobicContact CZ-CD1 3.79Å; F756-I760 PolarHBondContact O-N 3.16Å; E757-I760 PolarHBondContact O-N 2.97Å; I760-S762 VanDerWaalsContact C-N 3.29Å; I760-S762 PolarHBondContact O-N 3.28Å; I760-T763 PolarHBondContact O-N 3.03Å; I760-T763 PolarHBondContact O-OG1 3.29Å
761I49Very low46.1Very low117 Ų117132.4 Ų132.460%0.664%0.637SS**Hα-helixtrans-69.8-29.2177.1-63.2167.6000110.9E757 T763E757-I761 WeakPolarHBondContact O-CD1 3.4Å; E757-I761 VanDerWaalsContact O-CG1 3.31Å; E757-I761 WeakPolarHBondContact O-CG1 3.4Å; E757-I761 PolarHBondContact O-N 3.43Å; I761-T763 VanDerWaalsContact C-N 3.32Å; I761-T763 PolarHBondContact O-N 3.41Å
762S45.7Very low46.1Very low77 Ų77129.8 Ų129.854%0.53863%0.625SS.*G310 helixtrans-72.8-18.7178.178.80000114.9Q758 S759 I760Q758-S762 WeakPolarHBondContact O-CB 3.35Å; Q758-S762 PolarHBondContact O-N 3.45Å; Q758-S762 VanDerWaalsContact O-N 3.12Å; S759-S762 PolarHBondContact O-OG 3.19Å; I760-S762 VanDerWaalsContact C-N 3.29Å; I760-S762 PolarHBondContact O-N 3.28Å
763T45.6Very low46.1Very low106 Ų106128 Ų12865%0.6562%0.618SS**G310 helixtrans-89.3-5.8-179.934.50000115S759 I760 I761S759-T763 PolarHBondContact O-OG1 3.48Å; I760-T763 PolarHBondContact O-N 3.03Å; I760-T763 PolarHBondContact O-OG1 3.29Å; I761-T763 VanDerWaalsContact C-N 3.32Å; I761-T763 PolarHBondContact O-N 3.41Å
764D45.3Very low46.3Very low151 Ų151131 Ų13181%0.80764%0.64SS**G310 helixtrans-105.513.8178.2-139.45.4000112.6
765Q41Very low46.2Very low177 Ų177130.6 Ų130.683%0.82764%0.64SS**  trans-126.524.1176.1-74.3-161.5-22.800114.4
766R35.2Very low45.8Very low298 Ų298128.9 Ų128.9100%1.12564%0.635SS**  trans-1310160.8-78.8-171.1-165.6179.86109.4

Retrieved 766 of 766 residues in 382.5 ms (Link to these results)

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