A0A087X3I0_POEFO Loading...

GDP-L-fucose synthase

Catalyzes the two-step NADP-dependent conversion of GDP-4-dehydro-6-deoxy-D-mannose to GDP-fucose, involving an epimerase and a reductase reaction.

AlphaFold DB , UniProt , Accession A0A087X3I0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 320 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
1Q33.7Very low77.2Confident234 Ų23471.8 Ų71.8100%1.09341%0.413SS*.  087.40-75.1173.9-1200107.6T3Q1-T3 PolarHBondContact O-N 3.28Å
2C32.1Very low79Confident138 Ų13867.4 Ų67.493%0.93240%0.395SS*.  trans-79.6100.1169-71.10000106.8G4C2-G4 PolarHBondContact O-N 2.96Å
3T46Very low80.4Confident138 Ų13862.6 Ų62.685%0.84737%0.369SS*.  trans-7166.1171.251.80000109.3Q1 Q5Q1-T3 PolarHBondContact O-N 3.28Å; T3-Q5 PolarHBondContact O-N 3.19Å
4G62.9Low81.6Confident66 Ų6663.3 Ų63.368%0.6838%0.378SS*.  trans-69.6125.8172.300000109.2C2 M6C2-G4 PolarHBondContact O-N 2.96Å; G4-M6 PolarHBondContact O-N 2.8Å
5Q86.1Confident82.7Confident109 Ų10960.4 Ų60.451%0.50937%0.367SS..  trans-63.1125.4173.2-172.2177.3-2.200109.3T3 G34 E36T3-Q5 PolarHBondContact O-N 3.19Å; Q5-G34 CarbonylContact C-O 3.51Å; Q5-G34 WeakPolarHBondContact CA-O 3.48Å; Q5-E36 PolarHBondContact NE2-OE2 2.87Å
6M95.5Very high83.6Confident43 Ų4357.8 Ų57.821%0.21235%0.35CS..EExtended strand (participates in β ladder)trans-82.6114.6174.3179.6-177.1-7200108.1G4 V8 G34 E35 E36G4-M6 PolarHBondContact O-N 2.8Å; M6-V8 HydrophobicContact CG-CG2 3.77Å; M6-V8 HydrophobicContact SD-CG2 3.88Å; M6-G34 PolarHBondContact N-O 3.18Å; M6-E35 HydrophobicContact CB-CG 4.2Å; M6-E35 HydrophobicContact CG-CG 4.49Å; M6-E35 CarbonylContact O-C 3.59Å; M6-E35 VanDerWaalsContact O-CA 3.3Å; M6-E35 WeakPolarHBondContact O-CA 3.38Å; M6-E35 HydrophobicContact SD-CG 4.04Å; M6-E36 PolarHBondContact O-N 3.3Å
7K98Very high84.5Confident62 Ų6255.5 Ų55.527%0.2734%0.336SS..EExtended strand (participates in β ladder)trans-104.1114.1173.5-61.1-168-163.8176.20109.1E36 T63 H64K7-E36 CarbonylContact C-O 3.59Å; K7-E36 WeakPolarHBondContact CA-O 3.29Å; K7-E36 HydrophobicContact CG-CB 4.27Å; K7-T63 PolarHBondContact N-OG1 3.48Å; K7-T63 PolarHBondContact O-N 3.33Å; K7-T63 PolarHBondContact O-OG1 3.44Å; K7-H64 PolarHBondContact O-N 2.87Å
8V98.6Very high85.3Confident0 Ų052.4 Ų52.40%032%0.318CS..EExtended strand (participates in β ladder)trans-104.5113-177.6-167.60000109.6M6 V10 E36 W37 I38 H64 I66 L230M6-V8 HydrophobicContact CG-CG2 3.77Å; M6-V8 HydrophobicContact SD-CG2 3.88Å; V8-V10 HydrophobicContact CG1-CG2 4.32Å; V8-E36 PolarHBondContact N-O 3.13Å; V8-W37 HydrophobicContact CB-CD2 3.95Å; V8-W37 HydrophobicContact CB-CE3 3.66Å; V8-W37 HydrophobicContact CB-CH2 4.2Å; V8-W37 HydrophobicContact CB-CZ2 4.47Å; V8-W37 HydrophobicContact CB-CZ3 3.81Å; V8-W37 HydrophobicContact CG1-CD2 4.45Å; V8-W37 HydrophobicContact CG1-CE3 3.7Å; V8-W37 HydrophobicContact CG1-CH2 3.91Å; V8-W37 HydrophobicContact CG1-CZ3 3.4Å; V8-W37 VanDerWaalsContact CG1-CZ3 3.4Å; V8-W37 HydrophobicContact CG2-CD2 4.21Å; V8-W37 HydrophobicContact CG2-CE3 4.26Å; V8-W37 HydrophobicContact CG2-CH2 4.06Å; V8-W37 HydrophobicContact CG2-CZ2 4.03Å; V8-W37 HydrophobicContact CG2-CZ3 4.2Å; V8-I38 PolarHBondContact O-N 3.32Å; V8-H64 WeakPolarHBondContact CA-O 3.18Å; V8-H64 HydrophobicContact CG1-CB 4.4Å; V8-H64 HydrophobicContact CG2-CB 4.2Å; V8-I66 HydrophobicContact CG1-CD1 4.43Å; V8-I66 HydrophobicContact CG1-CG1 4.14Å; V8-L230 HydrophobicContact CB-CD2 4.39Å; V8-L230 HydrophobicContact CG1-CD2 3.59Å; V8-L230 HydrophobicContact CG2-CD2 3.85Å
9L98.8Very high86Confident0 Ų055.3 Ų55.30%032%0.322CS..EExtended strand (participates in β ladder)trans-92.4123.1171.5-169.9105.1000109.7T11 I38 L40 F57 H60 P62 H64 V65 I66L9-T11 HydrophobicContact CD2-CG2 3.98Å; L9-I38 HydrophobicContact CD1-CB 4.26Å; L9-I38 HydrophobicContact CD1-CG2 3.89Å; L9-L40 HydrophobicContact CD1-CD1 3.86Å; L9-L40 HydrophobicContact CD1-CD2 4.41Å; L9-L40 HydrophobicContact CD1-CG 4.06Å; L9-L40 HydrophobicContact CD2-CD1 3.86Å; L9-L40 HydrophobicContact CG-CD1 4Å; L9-L40 HydrophobicContact CG-CG 4.23Å; L9-F57 HydrophobicContact CD2-CD2 4.35Å; L9-F57 HydrophobicContact CD2-CE1 4.23Å; L9-F57 HydrophobicContact CD2-CE2 3.72Å; L9-F57 HydrophobicContact CD2-CZ 3.64Å; L9-H60 HydrophobicContact CD1-CB 4.01Å; L9-P62 HydrophobicContact CB-CB 3.69Å; L9-P62 HydrophobicContact CB-CG 4Å; L9-H64 PolarHBondContact N-O 3.29Å; L9-V65 HydrophobicContact CB-CG2 4.35Å; L9-V65 CarbonylContact O-C 3.59Å; L9-V65 VanDerWaalsContact O-CA 3.27Å; L9-V65 WeakPolarHBondContact O-CA 3.17Å; L9-I66 PolarHBondContact O-N 3.33Å
10V98.9Very high86.6Confident0 Ų052.7 Ų52.70%031%0.307CS..EExtended strand (participates in β ladder)trans-107.9105.1177.9-173.70000108.7V8 W37 I38 F39 L40 I66 L68V8-V10 HydrophobicContact CG1-CG2 4.32Å; V10-W37 HydrophobicContact CG2-CE3 3.91Å; V10-W37 HydrophobicContact CG2-CZ3 4.07Å; V10-I38 PolarHBondContact N-O 2.87Å; V10-F39 HydrophobicContact CB-CD1 3.7Å; V10-F39 HydrophobicContact CB-CE1 4Å; V10-F39 HydrophobicContact CB-CG 4.37Å; V10-F39 HydrophobicContact CG1-CD1 3.89Å; V10-F39 HydrophobicContact CG1-CE1 4.08Å; V10-F39 HydrophobicContact CG2-CD1 3.99Å; V10-F39 HydrophobicContact CG2-CE1 3.81Å; V10-F39 HydrophobicContact CG2-CZ 4.31Å; V10-L40 PolarHBondContact O-N 2.79Å; V10-I66 CarbonylContact C-O 3.59Å; V10-I66 WeakPolarHBondContact CA-O 3.33Å; V10-I66 HydrophobicContact CG1-CB 4.31Å; V10-I66 HydrophobicContact CG1-CG2 4.48Å; V10-I66 HydrophobicContact CG2-CB 4.25Å; V10-L68 HydrophobicContact CG1-CD1 3.68Å; V10-L68 HydrophobicContact CG1-CG 4.31Å
11T98.9Very high87.2Confident0 Ų050.2 Ų50.20%029%0.293CS..EExtended strand (participates in β ladder)trans-78.3142.3173.484.80000109.9L9 G13 L47 V65 I66 H67 L68 A69 V96L9-T11 HydrophobicContact CD2-CG2 3.98Å; T11-G13 VanDerWaalsContact C-N 3.28Å; T11-L47 HydrophobicContact CG2-CD1 4.21Å; T11-V65 HydrophobicContact CG2-CG1 4.49Å; T11-I66 PolarHBondContact N-O 2.75Å; T11-H67 PolarHBondContact OG1-ND1 2.84Å; T11-L68 WeakPolarHBondContact O-CA 3.36Å; T11-L68 WeakPolarHBondContact O-CB 3.46Å; T11-L68 PolarHBondContact O-N 3.06Å; T11-L68 VanDerWaalsContact O-N 3.11Å; T11-L68 PolarHBondContact OG1-N 3.24Å; T11-A69 PolarHBondContact O-N 3.03Å; T11-A69 VanDerWaalsContact OG1-CB 3.23Å; T11-A69 WeakPolarHBondContact OG1-CB 3.47Å; T11-A69 PolarHBondContact OG1-N 2.72Å; T11-A69 VanDerWaalsContact OG1-N 3.15Å; T11-V96 HydrophobicContact CG2-CG1 4.37Å; T11-V96 HydrophobicContact CG2-CG2 4.4Å
12G98.1Very high90.3Very high19 Ų1939.7 Ų39.720%0.19625%0.245CC..THydrogen-bonded Turntrans71.725.5-176.200000113S14 G15 L40G12-S14 PolarHBondContact O-N 3.42Å; G12-S14 VanDerWaalsContact O-N 3.16Å; G12-G15 PolarHBondContact O-N 3.45Å; G12-L40 CarbonylContact C-O 3.58Å; G12-L40 PolarHBondContact N-O 2.8Å; G12-L40 VanDerWaalsContact N-O 3.14Å
13G98Very high93.4Very high5 Ų535.7 Ų35.75%0.05221%0.212CC..THydrogen-bonded Turntrans-59.7-21.9-178.300000114.6T11 G15 G18 R19 L40T11-G13 VanDerWaalsContact C-N 3.28Å; G13-G15 VanDerWaalsContact C-N 3.35Å; G13-G18 CarbonylContact O-C 3.54Å; G13-G18 WeakPolarHBondContact O-CA 3.45Å; G13-R19 PolarHBondContact O-N 3.13Å; G13-L40 PolarHBondContact N-O 3.06Å
14S97.3Very high95.9Very high72 Ų7229.3 Ų29.350%0.50317%0.174SC..THydrogen-bonded Turntrans-83.8-4.9176.764.80000114.5G12G12-S14 PolarHBondContact O-N 3.42Å; G12-S14 VanDerWaalsContact O-N 3.16Å
15G97.1Very high97.6Very high20 Ų2026.8 Ų26.821%0.20614%0.144CC..SBendtrans-86.4178.6177.700000113.4G12 G13 V17 G18 R19G12-G15 PolarHBondContact O-N 3.45Å; G13-G15 VanDerWaalsContact C-N 3.35Å; G15-V17 PolarHBondContact O-N 3.42Å; G15-G18 PolarHBondContact O-N 3.46Å; G15-R19 WeakPolarHBondContact O-CB 3.29Å; G15-R19 VanDerWaalsContact O-CG 3.31Å; G15-R19 WeakPolarHBondContact O-CG 3.41Å; G15-R19 PolarHBondContact O-N 3.01Å
16L98Very high98Very high18 Ų1828.2 Ų28.29%0.09415%0.151CC..Hα-helixtrans-45.3-59.6179.3171.861.4000113G18 R19 A20 V172 P175 D177L16-G18 PolarHBondContact O-N 2.88Å; L16-R19 PolarHBondContact O-N 3.09Å; L16-A20 WeakPolarHBondContact O-CB 3.49Å; L16-A20 PolarHBondContact O-N 2.85Å; L16-V172 HydrophobicContact CD2-CB 4Å; L16-V172 HydrophobicContact CD2-CG1 3.71Å; L16-V172 HydrophobicContact CG-CG1 4.29Å; L16-P175 WeakPolarHBondContact CD1-O 3.17Å; L16-D177 HydrophobicContact CD1-CB 4.14Å; L16-D177 HydrophobicContact CD2-CB 4.29Å
17V98.7Very high98.1Very high20 Ų2032.8 Ų32.812%0.12117%0.172CC..Hα-helixtrans-68.3-37.8-176.4-176.90000111.3G15 A20 I21 L68 V172 L222 F226G15-V17 PolarHBondContact O-N 3.42Å; V17-A20 PolarHBondContact O-N 3.46Å; V17-I21 HydrophobicContact CG1-CD1 4.04Å; V17-I21 WeakPolarHBondContact O-CG1 3.45Å; V17-I21 PolarHBondContact O-N 3.24Å; V17-L68 HydrophobicContact CB-CD1 4.06Å; V17-L68 HydrophobicContact CB-CD2 4.45Å; V17-L68 HydrophobicContact CG1-CD1 3.88Å; V17-L68 HydrophobicContact CG1-CD2 3.88Å; V17-L68 HydrophobicContact CG1-CG 4.5Å; V17-V172 HydrophobicContact CG2-CG1 4.23Å; V17-L222 HydrophobicContact CG1-CD2 4.25Å; V17-L222 HydrophobicContact CG2-CD2 3.95Å; V17-F226 HydrophobicContact CG1-CD2 3.98Å; V17-F226 HydrophobicContact CG1-CE2 3.7Å; V17-F226 HydrophobicContact CG1-CZ 4.46Å
18G98.6Very high97.9Very high0 Ų033.5 Ų33.50%018%0.176CC..Hα-helixtrans-64-43.7178.400000112.8G13 G15 L16 I21 C22G13-G18 CarbonylContact O-C 3.54Å; G13-G18 WeakPolarHBondContact O-CA 3.45Å; G15-G18 PolarHBondContact O-N 3.46Å; L16-G18 PolarHBondContact O-N 2.88Å; G18-I21 PolarHBondContact O-N 2.79Å; G18-C22 WeakPolarHBondContact O-CB 3.45Å; G18-C22 PolarHBondContact O-N 3Å
19R98.5Very high97.7Very high106 Ų10636.5 Ų36.540%0.421%0.207SC..Hα-helixtrans-66.9-37.2175.9-68.3-68.2-66.3171.61.5112G13 G15 L16 C22 H23 H176G13-R19 PolarHBondContact O-N 3.13Å; G15-R19 WeakPolarHBondContact O-CB 3.29Å; G15-R19 VanDerWaalsContact O-CG 3.31Å; G15-R19 WeakPolarHBondContact O-CG 3.41Å; G15-R19 PolarHBondContact O-N 3.01Å; L16-R19 PolarHBondContact O-N 3.09Å; R19-C22 WeakPolarHBondContact O-CB 3.43Å; R19-C22 PolarHBondContact O-N 2.86Å; R19-H23 WeakPolarHBondContact O-CB 3.47Å; R19-H23 PolarHBondContact O-N 3.17Å; R19-H176 HydrophobicContact CB-CB 4.07Å; R19-H176 HydrophobicContact CG-CB 3.98Å; R19-H176 PolarHBondContact NE-NE2 3.03Å; R19-H176 PolarHBondContact NH2-CE1 3.3Å; R19-H176 PolarHBondContact NH2-NE2 3.26Å
20A98.8Very high97.4Very high4 Ų437.2 Ų37.23%0.03321%0.214CC..Hα-helixtrans-64.1-42.4173.200000112.2L16 V17 H23 V24 S219 L220 A223L16-A20 WeakPolarHBondContact O-CB 3.49Å; L16-A20 PolarHBondContact O-N 2.85Å; V17-A20 PolarHBondContact O-N 3.46Å; A20-H23 PolarHBondContact O-N 2.99Å; A20-V24 WeakPolarHBondContact O-CG2 3.28Å; A20-V24 PolarHBondContact O-N 3.11Å; A20-S219 VanDerWaalsContact CB-O 3.27Å; A20-S219 WeakPolarHBondContact CB-O 3.39Å; A20-L220 HydrophobicContact CB-CD2 3.91Å; A20-A223 VanDerWaalsContact C-CB 3.49Å; A20-A223 HydrophobicContact CB-CB 3.88Å
21I98.8Very high97.1Very high0 Ų039.7 Ų39.70%024%0.235CC..Hα-helixtrans-62.2-45.4174.4-71.1167.3000110.8V17 G18 H23 V24 I25 W37 F39 I66 L68 A223 F226 L227V17-I21 HydrophobicContact CG1-CD1 4.04Å; V17-I21 WeakPolarHBondContact O-CG1 3.45Å; V17-I21 PolarHBondContact O-N 3.24Å; G18-I21 PolarHBondContact O-N 2.79Å; I21-H23 PolarHBondContact O-N 3.05Å; I21-V24 PolarHBondContact O-N 3.32Å; I21-I25 HydrophobicContact CG2-CD1 3.5Å; I21-I25 VanDerWaalsContact CG2-CD1 3.5Å; I21-I25 HydrophobicContact CG2-CG1 4.45Å; I21-I25 WeakPolarHBondContact O-CB 3.43Å; I21-I25 WeakPolarHBondContact O-CD1 3.48Å; I21-I25 VanDerWaalsContact O-CG1 3.27Å; I21-I25 WeakPolarHBondContact O-CG1 3.31Å; I21-I25 PolarHBondContact O-N 3.34Å; I21-W37 HydrophobicContact CG2-CZ3 4.13Å; I21-F39 HydrophobicContact CB-CE1 4.28Å; I21-F39 HydrophobicContact CG2-CE1 3.86Å; I21-F39 HydrophobicContact CG2-CZ 4Å; I21-I66 HydrophobicContact CD1-CD1 4.17Å; I21-I66 HydrophobicContact CD1-CG2 4.24Å; I21-L68 HydrophobicContact CD1-CD1 3.98Å; I21-A223 HydrophobicContact CB-CB 4.37Å; I21-A223 HydrophobicContact CG1-CB 3.69Å; I21-F226 HydrophobicContact CD1-CB 3.98Å; I21-F226 HydrophobicContact CD1-CD2 4.32Å; I21-F226 HydrophobicContact CD1-CG 4.06Å; I21-F226 HydrophobicContact CG1-CB 4.39Å; I21-L227 HydrophobicContact CG2-CD2 4.2Å
22C98.3Very high96.9Very high13 Ų1344.8 Ų44.89%0.08826%0.257CS..Hα-helixtrans-54.4-50.5174.4-163.90000111.5G18 R19 I25 E26 F39G18-C22 WeakPolarHBondContact O-CB 3.45Å; G18-C22 PolarHBondContact O-N 3Å; R19-C22 WeakPolarHBondContact O-CB 3.43Å; R19-C22 PolarHBondContact O-N 2.86Å; C22-I25 PolarHBondContact O-N 2.74Å; C22-E26 WeakPolarHBondContact O-CB 3.14Å; C22-E26 WeakPolarHBondContact O-CG 3.4Å; C22-E26 PolarHBondContact O-N 2.72Å; C22-E26 VanDerWaalsContact SG-CD 3.54Å; C22-E26 PolarHBondContact SG-OE2 3.29Å; C22-F39 HydrophobicContact CB-CE1 4.01Å; C22-F39 HydrophobicContact CB-CE2 4.35Å; C22-F39 HydrophobicContact CB-CZ 3.92Å
23H98.4Very high96.7Very high54 Ų5454.4 Ų54.425%0.2529%0.294CS..Hα-helixtrans-59.4-48.9178.6-179.783.2000112.5R19 A20 I21 I25 E26 E27 E28 L220R19-H23 WeakPolarHBondContact O-CB 3.47Å; R19-H23 PolarHBondContact O-N 3.17Å; A20-H23 PolarHBondContact O-N 2.99Å; I21-H23 PolarHBondContact O-N 3.05Å; H23-I25 VanDerWaalsContact C-N 3.25Å; H23-I25 PolarHBondContact O-N 3.16Å; H23-E26 PolarHBondContact O-N 3.49Å; H23-E27 IonicContact CE1-OE1 2.74Å; H23-E27 IonicContact CE1-OE2 3.59Å; H23-E27 PolarHBondContact CE1-OE2 3.17Å; H23-E27 IonicContact CG-OE1 3.22Å; H23-E27 IonicContact ND1-OE1 2.81Å; H23-E27 PolarHBondContact ND1-OE1 3.42Å; H23-E27 IonicContact ND1-OE2 3.73Å; H23-E27 PolarHBondContact ND1-OE2 3.24Å; H23-E27 WeakPolarHBondContact O-CA 3.48Å; H23-E27 WeakPolarHBondContact O-CB 3.43Å; H23-E27 PolarHBondContact O-N 2.88Å; H23-E28 IonicContact CD2-OE1 2.79Å; H23-E28 IonicContact NE2-OE1 3.96Å; H23-E28 PolarHBondContact O-N 3.47Å; H23-L220 HydrophobicContact CB-CD2 4.23Å
24V98.5Very high96.6Very high5 Ų556.2 Ų56.23%0.0331%0.312CS..Hα-helixtrans-61.4-36.3179.3172.20000111.5A20 I21 E28 G30 L220 A223 R224 L227A20-V24 WeakPolarHBondContact O-CG2 3.28Å; A20-V24 PolarHBondContact O-N 3.11Å; I21-V24 PolarHBondContact O-N 3.32Å; V24-E28 CarbonylContact O-C 3.6Å; V24-E28 WeakPolarHBondContact O-CB 3.5Å; V24-E28 PolarHBondContact O-N 3.2Å; V24-G30 VanDerWaalsContact O-CA 3.3Å; V24-G30 WeakPolarHBondContact O-CA 3.5Å; V24-G30 PolarHBondContact O-N 2.92Å; V24-L220 HydrophobicContact CG2-CD2 4.31Å; V24-A223 HydrophobicContact CB-CB 4.33Å; V24-A223 HydrophobicContact CG2-CB 3.73Å; V24-R224 HydrophobicContact CG1-CG 3.85Å; V24-R224 HydrophobicContact CG2-CG 4.07Å; V24-L227 HydrophobicContact CG1-CD1 3.67Å
25I97.4Very high96.5Very high13 Ų1354.4 Ų54.47%0.06730%0.296CS..Hα-helixtrans-71.2-47.9179.2-71.8162.2000111.4I21 C22 H23 A31 W37 F39 L227I21-I25 HydrophobicContact CG2-CD1 3.5Å; I21-I25 VanDerWaalsContact CG2-CD1 3.5Å; I21-I25 HydrophobicContact CG2-CG1 4.45Å; I21-I25 WeakPolarHBondContact O-CB 3.43Å; I21-I25 WeakPolarHBondContact O-CD1 3.48Å; I21-I25 VanDerWaalsContact O-CG1 3.27Å; I21-I25 WeakPolarHBondContact O-CG1 3.31Å; I21-I25 PolarHBondContact O-N 3.34Å; C22-I25 PolarHBondContact O-N 2.74Å; H23-I25 VanDerWaalsContact C-N 3.25Å; H23-I25 PolarHBondContact O-N 3.16Å; I25-A31 HydrophobicContact CG2-CB 3.75Å; I25-A31 PolarHBondContact O-N 3.38Å; I25-W37 HydrophobicContact CD1-CD2 3.33Å; I25-W37 HydrophobicContact CD1-CE3 3.35Å; I25-W37 HydrophobicContact CD1-CG 3.95Å; I25-W37 HydrophobicContact CD1-CH2 3.84Å; I25-W37 HydrophobicContact CD1-CZ2 3.8Å; I25-W37 HydrophobicContact CD1-CZ3 3.6Å; I25-W37 HydrophobicContact CG1-CD2 4.39Å; I25-W37 HydrophobicContact CG1-CZ2 4.36Å; I25-W37 HydrophobicContact CG2-CG 4.33Å; I25-F39 HydrophobicContact CD1-CZ 3.91Å; I25-L227 HydrophobicContact CD1-CD2 4.05Å; I25-L227 HydrophobicContact CG1-CD1 4.1Å; I25-L227 HydrophobicContact CG1-CD2 4.13Å
26E96Very high96.5Very high138 Ų13856.8 Ų56.865%0.64530%0.302SS*.Hα-helixtrans-86.1-37.1-169.9-66.6178.8161.200113.1C22 H23C22-E26 WeakPolarHBondContact O-CB 3.14Å; C22-E26 WeakPolarHBondContact O-CG 3.4Å; C22-E26 PolarHBondContact O-N 2.72Å; C22-E26 VanDerWaalsContact SG-CD 3.54Å; C22-E26 PolarHBondContact SG-OE2 3.29Å; H23-E26 PolarHBondContact O-N 3.49Å
27E95.7Very high96.6Very high139 Ų13957.9 Ų57.965%0.6531%0.305SS*.THydrogen-bonded Turntrans-107.8-30.4-170.3-60.2-176.9-132.200112.9H23H23-E27 IonicContact CE1-OE1 2.74Å; H23-E27 IonicContact CE1-OE2 3.59Å; H23-E27 PolarHBondContact CE1-OE2 3.17Å; H23-E27 IonicContact CG-OE1 3.22Å; H23-E27 IonicContact ND1-OE1 2.81Å; H23-E27 PolarHBondContact ND1-OE1 3.42Å; H23-E27 IonicContact ND1-OE2 3.73Å; H23-E27 PolarHBondContact ND1-OE2 3.24Å; H23-E27 WeakPolarHBondContact O-CA 3.48Å; H23-E27 WeakPolarHBondContact O-CB 3.43Å; H23-E27 PolarHBondContact O-N 2.88Å
28E95.4Very high96.5Very high77 Ų7757.9 Ų57.936%0.3630%0.304SS..SBendtrans-996.3179.4-55.6-174.2-168.700113.9H23 V24 G30 R224H23-E28 IonicContact CD2-OE1 2.79Å; H23-E28 IonicContact NE2-OE1 3.96Å; H23-E28 PolarHBondContact O-N 3.47Å; V24-E28 CarbonylContact O-C 3.6Å; V24-E28 WeakPolarHBondContact O-CB 3.5Å; V24-E28 PolarHBondContact O-N 3.2Å; E28-G30 VanDerWaalsContact C-N 3.29Å; E28-G30 PolarHBondContact O-N 3.17Å; E28-R224 IonicContact OE1-CZ 3.99Å; E28-R224 IonicContact OE1-NH2 3.54Å; E28-R224 PolarHBondContact OE1-NH2 3.38Å; E28-R224 IonicContact OE2-CZ 3.73Å; E28-R224 VanDerWaalsContact OE2-CZ 3.22Å; E28-R224 IonicContact OE2-NE 2.69Å; E28-R224 PolarHBondContact OE2-NE 3.02Å; E28-R224 IonicContact OE2-NH2 3.16Å; E28-R224 PolarHBondContact OE2-NH2 3.42Å
29G93.3Very high96.5Very high64 Ų6460.5 Ų60.566%0.6632%0.315SS*.  trans70.524.1-179.900000113.9A31G29-A31 PolarHBondContact O-N 3.27Å
30G93.7Very high96.5Very high14 Ų1455.8 Ų55.814%0.14430%0.298CS..  trans-68.8-17179.300000114.3V24 E28 R231V24-G30 VanDerWaalsContact O-CA 3.3Å; V24-G30 WeakPolarHBondContact O-CA 3.5Å; V24-G30 PolarHBondContact O-N 2.92Å; E28-G30 VanDerWaalsContact C-N 3.29Å; E28-G30 PolarHBondContact O-N 3.17Å; G30-R231 PolarHBondContact O-NH1 2.76Å; G30-R231 PolarHBondContact O-NH2 3.33Å
31A92.7Very high96.5Very high53 Ų5356.9 Ų56.944%0.43831%0.305SS..PPolyproline II helixtrans-67.5131.9176.200000112I25 G29I25-A31 HydrophobicContact CG2-CB 3.75Å; I25-A31 PolarHBondContact O-N 3.38Å; G29-A31 PolarHBondContact O-N 3.27Å
32K94.8Very high96.3Very high106 Ų10661.9 Ų61.946%0.46134%0.34SS..PPolyproline II helixtrans-100.5150.6170-63.4-178.1179.2-177.60111G34 E35 E232K32-G34 PolarHBondContact O-N 2.87Å; K32-E35 HydrophobicContact CB-CG 4.15Å; K32-E35 PolarHBondContact N-OE2 2.86Å; K32-E35 WeakPolarHBondContact O-CB 3.36Å; K32-E35 PolarHBondContact O-N 3.08Å; K32-E35 VanDerWaalsContact O-N 3.13Å; K32-E232 IonicContact NZ-OE1 2.93Å
33K93.9Very high96.3Very high222 Ų22270.6 Ų70.697%0.96538%0.377SS*.THydrogen-bonded Turntrans-57.6129.8176.4-175.7179.3-179.7179.60110.4
34G93.9Very high96.3Very high43 Ų4372.4 Ų72.444%0.44339%0.388SS..THydrogen-bonded Turntrans89.14.5-179.200000114.4Q5 M6 K32Q5-G34 CarbonylContact C-O 3.51Å; Q5-G34 WeakPolarHBondContact CA-O 3.48Å; M6-G34 PolarHBondContact N-O 3.18Å; K32-G34 PolarHBondContact O-N 2.87Å
35E96.8Very high96.3Very high34 Ų3472.4 Ų72.416%0.15939%0.389CS..EExtended strand (participates in β ladder)trans-93.2135.1168.5-61.1177.816600111.2M6 K32 W37 R231M6-E35 HydrophobicContact CB-CG 4.2Å; M6-E35 HydrophobicContact CG-CG 4.49Å; M6-E35 CarbonylContact O-C 3.59Å; M6-E35 VanDerWaalsContact O-CA 3.3Å; M6-E35 WeakPolarHBondContact O-CA 3.38Å; M6-E35 HydrophobicContact SD-CG 4.04Å; K32-E35 HydrophobicContact CB-CG 4.15Å; K32-E35 PolarHBondContact N-OE2 2.86Å; K32-E35 WeakPolarHBondContact O-CB 3.36Å; K32-E35 PolarHBondContact O-N 3.08Å; K32-E35 VanDerWaalsContact O-N 3.13Å; E35-W37 PolarHBondContact OE2-NE1 2.91Å; E35-R231 IonicContact OE1-CZ 2.98Å; E35-R231 VanDerWaalsContact OE1-CZ 3.28Å; E35-R231 IonicContact OE1-NE 2.82Å; E35-R231 PolarHBondContact OE1-NE 3.44Å; E35-R231 IonicContact OE1-NH2 3.64Å; E35-R231 PolarHBondContact OE1-NH2 3.4Å; E35-R231 IonicContact OE2-CZ 3.47Å; E35-R231 IonicContact OE2-NH2 3.17Å; E35-R231 PolarHBondContact OE2-NH2 2.79Å
36E97.5Very high96.3Very high70 Ų7074.8 Ų74.833%0.32740%0.402SS..EExtended strand (participates in β ladder)trans-116.7126.3169.3-179.4-172.7163.900108Q5 M6 K7 V8Q5-E36 PolarHBondContact NE2-OE2 2.87Å; M6-E36 PolarHBondContact O-N 3.3Å; K7-E36 CarbonylContact C-O 3.59Å; K7-E36 WeakPolarHBondContact CA-O 3.29Å; K7-E36 HydrophobicContact CG-CB 4.27Å; V8-E36 PolarHBondContact N-O 3.13Å
37W98.1Very high96.4Very high41 Ų4169 Ų6916%0.15538%0.375CS..EExtended strand (participates in β ladder)trans-112.9128.1-174.7-69.286.2000110.8V8 V10 I21 I25 E35 F39 I66 L227 L230V8-W37 HydrophobicContact CB-CD2 3.95Å; V8-W37 HydrophobicContact CB-CE3 3.66Å; V8-W37 HydrophobicContact CB-CH2 4.2Å; V8-W37 HydrophobicContact CB-CZ2 4.47Å; V8-W37 HydrophobicContact CB-CZ3 3.81Å; V8-W37 HydrophobicContact CG1-CD2 4.45Å; V8-W37 HydrophobicContact CG1-CE3 3.7Å; V8-W37 HydrophobicContact CG1-CH2 3.91Å; V8-W37 HydrophobicContact CG1-CZ3 3.4Å; V8-W37 VanDerWaalsContact CG1-CZ3 3.4Å; V8-W37 HydrophobicContact CG2-CD2 4.21Å; V8-W37 HydrophobicContact CG2-CE3 4.26Å; V8-W37 HydrophobicContact CG2-CH2 4.06Å; V8-W37 HydrophobicContact CG2-CZ2 4.03Å; V8-W37 HydrophobicContact CG2-CZ3 4.2Å; V10-W37 HydrophobicContact CG2-CE3 3.91Å; V10-W37 HydrophobicContact CG2-CZ3 4.07Å; I21-W37 HydrophobicContact CG2-CZ3 4.13Å; I25-W37 HydrophobicContact CD1-CD2 3.33Å; I25-W37 HydrophobicContact CD1-CE3 3.35Å; I25-W37 HydrophobicContact CD1-CG 3.95Å; I25-W37 HydrophobicContact CD1-CH2 3.84Å; I25-W37 HydrophobicContact CD1-CZ2 3.8Å; I25-W37 HydrophobicContact CD1-CZ3 3.6Å; I25-W37 HydrophobicContact CG1-CD2 4.39Å; I25-W37 HydrophobicContact CG1-CZ2 4.36Å; I25-W37 HydrophobicContact CG2-CG 4.33Å; E35-W37 PolarHBondContact OE2-NE1 2.91Å; W37-F39 HydrophobicContact CB-CE2 3.81Å; W37-F39 HydrophobicContact CB-CZ 4.46Å; W37-F39 HydrophobicContact CE3-CZ 4.27Å; W37-I66 HydrophobicContact CH2-CD1 4.27Å; W37-I66 HydrophobicContact CZ3-CD1 3.89Å; W37-L227 HydrophobicContact CH2-CD2 3.25Å; W37-L227 HydrophobicContact CZ2-CD2 3.76Å; W37-L227 HydrophobicContact CZ3-CD2 4Å; W37-L230 HydrophobicContact CH2-CD2 3.78Å; W37-L230 HydrophobicContact CZ3-CD2 4.39Å
38I98.5Very high96.6Very high20 Ų2066 Ų6610%0.10336%0.362CS..EExtended strand (participates in β ladder)trans-125.1109.3-176.2-59.6150.4000108.3V8 L9 V10 L40 H60V8-I38 PolarHBondContact O-N 3.32Å; L9-I38 HydrophobicContact CD1-CB 4.26Å; L9-I38 HydrophobicContact CD1-CG2 3.89Å; V10-I38 PolarHBondContact N-O 2.87Å; I38-L40 HydrophobicContact CG2-CD2 4.03Å; I38-H60 HydrophobicContact CD1-CB 3.98Å
39F98.6Very high96.7Very high54 Ų5464.8 Ų64.824%0.23736%0.358CS..EExtended strand (participates in β ladder)trans-98.3113.2-179-66.6-92.1000110.8V10 I21 C22 I25 W37V10-F39 HydrophobicContact CB-CD1 3.7Å; V10-F39 HydrophobicContact CB-CE1 4Å; V10-F39 HydrophobicContact CB-CG 4.37Å; V10-F39 HydrophobicContact CG1-CD1 3.89Å; V10-F39 HydrophobicContact CG1-CE1 4.08Å; V10-F39 HydrophobicContact CG2-CD1 3.99Å; V10-F39 HydrophobicContact CG2-CE1 3.81Å; V10-F39 HydrophobicContact CG2-CZ 4.31Å; I21-F39 HydrophobicContact CB-CE1 4.28Å; I21-F39 HydrophobicContact CG2-CE1 3.86Å; I21-F39 HydrophobicContact CG2-CZ 4Å; C22-F39 HydrophobicContact CB-CE1 4.01Å; C22-F39 HydrophobicContact CB-CE2 4.35Å; C22-F39 HydrophobicContact CB-CZ 3.92Å; I25-F39 HydrophobicContact CD1-CZ 3.91Å; W37-F39 HydrophobicContact CB-CE2 3.81Å; W37-F39 HydrophobicContact CB-CZ 4.46Å; W37-F39 HydrophobicContact CE3-CZ 4.27Å
40L98.3Very high97Very high7 Ų766.4 Ų66.44%0.03735%0.347CS..EExtended strand (participates in β ladder)trans-95.1145.3178.3-59-174.5000112.3L9 V10 G12 G13 I38 D44 V56L9-L40 HydrophobicContact CD1-CD1 3.86Å; L9-L40 HydrophobicContact CD1-CD2 4.41Å; L9-L40 HydrophobicContact CD1-CG 4.06Å; L9-L40 HydrophobicContact CD2-CD1 3.86Å; L9-L40 HydrophobicContact CG-CD1 4Å; L9-L40 HydrophobicContact CG-CG 4.23Å; V10-L40 PolarHBondContact O-N 2.79Å; G12-L40 CarbonylContact C-O 3.58Å; G12-L40 PolarHBondContact N-O 2.8Å; G12-L40 VanDerWaalsContact N-O 3.14Å; G13-L40 PolarHBondContact N-O 3.06Å; I38-L40 HydrophobicContact CG2-CD2 4.03Å; L40-D44 HydrophobicContact CB-CB 4.45Å; L40-D44 HydrophobicContact CD2-CB 3.9Å; L40-V56 HydrophobicContact CD1-CG1 4.05Å; L40-V56 HydrophobicContact CD1-CG2 3.64Å; L40-V56 HydrophobicContact CD2-CG2 3.91Å; L40-V56 HydrophobicContact CG-CG2 4.44Å
41S97.7Very high97.2Very high27 Ų2771.5 Ų71.519%0.18937%0.367CS..  trans-119.2176.5167.374.90000110.7K43 D44 A45S41-K43 PolarHBondContact O-N 3.16Å; S41-K43 VanDerWaalsContact O-N 3.16Å; S41-K43 WeakPolarHBondContact OG-CB 3.39Å; S41-K43 PolarHBondContact OG-N 3.38Å; S41-D44 WeakPolarHBondContact CA-OD2 3.3Å; S41-D44 WeakPolarHBondContact CB-OD2 3.47Å; S41-D44 PolarHBondContact N-OD2 2.77Å; S41-D44 WeakPolarHBondContact O-CB 3.42Å; S41-D44 PolarHBondContact O-N 2.86Å; S41-D44 PolarHBondContact OG-OD2 2.87Å; S41-A45 PolarHBondContact O-N 3.03Å
42S95.9Very high97.5Very high106 Ų10673.1 Ų73.174%0.74137%0.365SS*.THydrogen-bonded Turntrans-66-10.5172.7570000113.9D44S42-D44 VanDerWaalsContact C-N 3.32Å
43K97.3Very high97.7Very high195 Ų19568 Ų6885%0.84834%0.343SS*.THydrogen-bonded Turntrans-78.3-20.1172-61.9-178.8179.2178.60112.4S41S41-K43 PolarHBondContact O-N 3.16Å; S41-K43 VanDerWaalsContact O-N 3.16Å; S41-K43 WeakPolarHBondContact OG-CB 3.39Å; S41-K43 PolarHBondContact OG-N 3.38Å
44D98.1Very high97.9Very high92 Ų9260.4 Ų60.449%0.49231%0.311SS..THydrogen-bonded Turntrans-91-38.9-177.2-54.4-76.3000111.6L40 S41 S42L40-D44 HydrophobicContact CB-CB 4.45Å; L40-D44 HydrophobicContact CD2-CB 3.9Å; S41-D44 WeakPolarHBondContact CA-OD2 3.3Å; S41-D44 WeakPolarHBondContact CB-OD2 3.47Å; S41-D44 PolarHBondContact N-OD2 2.77Å; S41-D44 WeakPolarHBondContact O-CB 3.42Å; S41-D44 PolarHBondContact O-N 2.86Å; S41-D44 PolarHBondContact OG-OD2 2.87Å; S42-D44 VanDerWaalsContact C-N 3.32Å
45A98.1Very high98.1Very high6 Ų661.3 Ų61.35%0.0531%0.314CS..  trans-159.9139171.900000111S41 L47 E52 V56S41-A45 PolarHBondContact O-N 3.03Å; A45-L47 HydrophobicContact CB-CD2 4.35Å; A45-L47 PolarHBondContact O-N 3.46Å; A45-E52 HydrophobicContact CB-CB 4.33Å; A45-V56 HydrophobicContact CB-CB 4.16Å; A45-V56 HydrophobicContact CB-CG1 3.9Å
46N98.4Very high98.2Very high62 Ų6260.2 Ų60.233%0.33231%0.31SS..  trans-78.2102.9164.9176.414.8000109.9M48 N49 E52N46-M48 PolarHBondContact O-N 2.93Å; N46-M48 VanDerWaalsContact O-N 3.08Å; N46-M48 WeakPolarHBondContact OD1-CB 3.33Å; N46-M48 WeakPolarHBondContact OD1-CE 3.27Å; N46-M48 PolarHBondContact OD1-N 2.99Å; N46-N49 HydrophobicContact CB-CB 4.44Å; N46-N49 WeakPolarHBondContact O-CA 3.32Å; N46-N49 WeakPolarHBondContact O-CB 3.46Å; N46-N49 PolarHBondContact O-N 2.95Å; N46-E52 WeakPolarHBondContact CB-OE2 3.36Å; N46-E52 PolarHBondContact N-OE2 3.1Å
47L98.7Very high98.3Very high18 Ų1856.9 Ų56.99%0.09429%0.294CS..THydrogen-bonded Turntrans-69-8.2-176.1-60.5175.6000114.8T11 A45 N49 T53 A69 I92 N95 V96T11-L47 HydrophobicContact CG2-CD1 4.21Å; A45-L47 HydrophobicContact CB-CD2 4.35Å; A45-L47 PolarHBondContact O-N 3.46Å; L47-N49 VanDerWaalsContact C-N 3.32Å; L47-T53 WeakPolarHBondContact CA-OG1 3.35Å; L47-T53 HydrophobicContact CD2-CG2 3.93Å; L47-T53 PolarHBondContact O-OG1 3.13Å; L47-A69 HydrophobicContact CD1-CB 3.51Å; L47-I92 HydrophobicContact CB-CG1 4.19Å; L47-I92 HydrophobicContact CB-CG2 4.14Å; L47-I92 WeakPolarHBondContact O-CA 3.47Å; L47-N95 PolarHBondContact O-ND2 2.8Å; L47-V96 HydrophobicContact CB-CG2 4.49Å; L47-V96 HydrophobicContact CD1-CG2 4.09Å; L47-V96 HydrophobicContact CD2-CG2 4.14Å; L47-V96 HydrophobicContact CG-CG2 4.48Å
48M98.3Very high98.3Very high76 Ų7659.8 Ų59.837%0.37431%0.31SS..THydrogen-bonded Turntrans-76.7-22.9167.7-63.5179.9-65.500112.1N46 N88 I92 N95N46-M48 PolarHBondContact O-N 2.93Å; N46-M48 VanDerWaalsContact O-N 3.08Å; N46-M48 WeakPolarHBondContact OD1-CB 3.33Å; N46-M48 WeakPolarHBondContact OD1-CE 3.27Å; N46-M48 PolarHBondContact OD1-N 2.99Å; M48-N88 HydrophobicContact SD-CB 3.7Å; M48-N88 VanDerWaalsContact SD-CG 3.52Å; M48-I92 HydrophobicContact CG-CD1 4.03Å; M48-I92 HydrophobicContact CG-CG1 3.68Å; M48-N95 PolarHBondContact O-ND2 3.14Å
49N98.6Very high98.3Very high50 Ų5066.5 Ų66.527%0.26734%0.338SS..SBendtrans-88.1125.6175.2179.6-79.7000109.6N46 L47 E51 E52 T53N46-N49 HydrophobicContact CB-CB 4.44Å; N46-N49 WeakPolarHBondContact O-CA 3.32Å; N46-N49 WeakPolarHBondContact O-CB 3.46Å; N46-N49 PolarHBondContact O-N 2.95Å; L47-N49 VanDerWaalsContact C-N 3.32Å; N49-E51 PolarHBondContact ND2-OE2 2.88Å; N49-E51 VanDerWaalsContact ND2-OE2 3.09Å; N49-E51 WeakPolarHBondContact OD1-CB 3.41Å; N49-E51 PolarHBondContact OD1-N 2.89Å; N49-E51 PolarHBondContact OD1-OE2 2.93Å; N49-E51 VanDerWaalsContact OD1-OE2 3.13Å; N49-E52 HydrophobicContact CB-CB 4.17Å; N49-E52 HydrophobicContact CB-CG 4.2Å; N49-E52 WeakPolarHBondContact OD1-CG 3.36Å; N49-E52 PolarHBondContact OD1-N 3.4Å; N49-T53 WeakPolarHBondContact O-CB 3.13Å; N49-T53 PolarHBondContact O-N 3.44Å; N49-T53 VanDerWaalsContact O-N 3.17Å; N49-T53 PolarHBondContact O-OG1 2.94Å
50K98.6Very high98.3Very high98 Ų9865.7 Ų65.743%0.42634%0.335SS..Hα-helixtrans-66.3-46-176.5-180179.6176.3176.70111.4T53 Q54K50-T53 PolarHBondContact O-N 3.07Å; K50-Q54 HydrophobicContact CG-CG 4.42Å; K50-Q54 WeakPolarHBondContact O-CG 3.39Å; K50-Q54 PolarHBondContact O-N 2.74Å
51E98.6Very high98.3Very high122 Ų12271 Ų7157%0.5735%0.354SS*.Hα-helixtrans-65.5-43-175-62.270.9-149.400111.7N49 T53 Q54 A55N49-E51 PolarHBondContact ND2-OE2 2.88Å; N49-E51 VanDerWaalsContact ND2-OE2 3.09Å; N49-E51 WeakPolarHBondContact OD1-CB 3.41Å; N49-E51 PolarHBondContact OD1-N 2.89Å; N49-E51 PolarHBondContact OD1-OE2 2.93Å; N49-E51 VanDerWaalsContact OD1-OE2 3.13Å; E51-T53 VanDerWaalsContact C-N 3.34Å; E51-Q54 PolarHBondContact O-N 3.11Å; E51-A55 VanDerWaalsContact O-CB 3.29Å; E51-A55 WeakPolarHBondContact O-CB 3.25Å; E51-A55 PolarHBondContact O-N 2.98Å
52E98.8Very high98.3Very high86 Ų8669.8 Ų69.840%0.40235%0.346SS..Hα-helixtrans-63-40.7174.3-71.7-175.9-122.200111.5A45 N46 N49 A55 V56A45-E52 HydrophobicContact CB-CB 4.33Å; N46-E52 WeakPolarHBondContact CB-OE2 3.36Å; N46-E52 PolarHBondContact N-OE2 3.1Å; N49-E52 HydrophobicContact CB-CB 4.17Å; N49-E52 HydrophobicContact CB-CG 4.2Å; N49-E52 WeakPolarHBondContact OD1-CG 3.36Å; N49-E52 PolarHBondContact OD1-N 3.4Å; E52-A55 PolarHBondContact O-N 2.92Å; E52-V56 PolarHBondContact O-N 3.13Å
53T98.9Very high98.4Very high0 Ų066.8 Ų66.80%032%0.323CS..Hα-helixtrans-64.7-46.6176.8-540000111.1L47 N49 K50 E51 A55 V56 F57 N95 V96 A99L47-T53 WeakPolarHBondContact CA-OG1 3.35Å; L47-T53 HydrophobicContact CD2-CG2 3.93Å; L47-T53 PolarHBondContact O-OG1 3.13Å; N49-T53 WeakPolarHBondContact O-CB 3.13Å; N49-T53 PolarHBondContact O-N 3.44Å; N49-T53 VanDerWaalsContact O-N 3.17Å; N49-T53 PolarHBondContact O-OG1 2.94Å; K50-T53 PolarHBondContact O-N 3.07Å; E51-T53 VanDerWaalsContact C-N 3.34Å; T53-A55 VanDerWaalsContact C-N 3.34Å; T53-A55 PolarHBondContact O-N 3.06Å; T53-V56 VanDerWaalsContact O-CG1 3.28Å; T53-V56 WeakPolarHBondContact O-CG1 3.39Å; T53-V56 PolarHBondContact O-N 2.97Å; T53-F57 HydrophobicContact CG2-CD2 4.03Å; T53-F57 HydrophobicContact CG2-CE2 4.13Å; T53-F57 VanDerWaalsContact O-CD2 3.31Å; T53-F57 WeakPolarHBondContact O-CD2 3.24Å; T53-F57 PolarHBondContact O-N 3.39Å; T53-F57 VanDerWaalsContact O-N 3.11Å; T53-N95 HydrophobicContact CG2-CB 3.91Å; T53-V96 HydrophobicContact CG2-CG2 4.27Å; T53-A99 HydrophobicContact CG2-CB 4.01Å
54Q98.8Very high98.5Very high62 Ų6258.7 Ų58.729%0.2929%0.288SS..Hα-helixtrans-61.8-42.6176.3-73-179.8-4100111.5K50 E51 V56 F57 E58 E102K50-Q54 HydrophobicContact CG-CG 4.42Å; K50-Q54 WeakPolarHBondContact O-CG 3.39Å; K50-Q54 PolarHBondContact O-N 2.74Å; E51-Q54 PolarHBondContact O-N 3.11Å; Q54-V56 PolarHBondContact O-N 3.47Å; Q54-F57 PolarHBondContact O-N 3.02Å; Q54-E58 WeakPolarHBondContact O-CB 3.18Å; Q54-E58 PolarHBondContact O-N 2.87Å; Q54-E102 PolarHBondContact NE2-OE2 3.4Å
55A98.8Very high98.5Very high61 Ų6154.3 Ų54.350%0.50427%0.265SS..Hα-helixtrans-61.8-42.6179.600000112.7E51 E52 T53 K59E51-A55 VanDerWaalsContact O-CB 3.29Å; E51-A55 WeakPolarHBondContact O-CB 3.25Å; E51-A55 PolarHBondContact O-N 2.98Å; E52-A55 PolarHBondContact O-N 2.92Å; T53-A55 VanDerWaalsContact C-N 3.34Å; T53-A55 PolarHBondContact O-N 3.06Å; A55-K59 VanDerWaalsContact O-CB 3.29Å; A55-K59 WeakPolarHBondContact O-CB 3.22Å; A55-K59 PolarHBondContact O-N 3.36Å
56V98.8Very high98.6Very high11 Ų1154 Ų547%0.06726%0.263CS..Hα-helixtrans-70.9-35.9178.673.50000111.9L40 A45 E52 T53 Q54 H60L40-V56 HydrophobicContact CD1-CG1 4.05Å; L40-V56 HydrophobicContact CD1-CG2 3.64Å; L40-V56 HydrophobicContact CD2-CG2 3.91Å; L40-V56 HydrophobicContact CG-CG2 4.44Å; A45-V56 HydrophobicContact CB-CB 4.16Å; A45-V56 HydrophobicContact CB-CG1 3.9Å; E52-V56 PolarHBondContact O-N 3.13Å; T53-V56 VanDerWaalsContact O-CG1 3.28Å; T53-V56 WeakPolarHBondContact O-CG1 3.39Å; T53-V56 PolarHBondContact O-N 2.97Å; Q54-V56 PolarHBondContact O-N 3.47Å; V56-H60 PolarHBondContact O-CD2 2.98Å; V56-H60 VanDerWaalsContact O-CD2 3.28Å; V56-H60 PolarHBondContact O-N 2.9Å
57F98.8Very high98.6Very high1 Ų151.1 Ų51.10%0.00425%0.247CC..Hα-helixtrans-66.9-42.6174.4-91.2-101.9000112.1L9 T53 Q54 H60 R61 P62 V65 V96 A99 A100 V103L9-F57 HydrophobicContact CD2-CD2 4.35Å; L9-F57 HydrophobicContact CD2-CE1 4.23Å; L9-F57 HydrophobicContact CD2-CE2 3.72Å; L9-F57 HydrophobicContact CD2-CZ 3.64Å; T53-F57 HydrophobicContact CG2-CD2 4.03Å; T53-F57 HydrophobicContact CG2-CE2 4.13Å; T53-F57 VanDerWaalsContact O-CD2 3.31Å; T53-F57 WeakPolarHBondContact O-CD2 3.24Å; T53-F57 PolarHBondContact O-N 3.39Å; T53-F57 VanDerWaalsContact O-N 3.11Å; Q54-F57 PolarHBondContact O-N 3.02Å; F57-H60 PolarHBondContact O-N 3.47Å; F57-R61 WeakPolarHBondContact O-CA 3.25Å; F57-R61 PolarHBondContact O-N 3.17Å; F57-P62 HydrophobicContact CD1-CG 3.85Å; F57-P62 HydrophobicContact CE1-CG 3.94Å; F57-V65 HydrophobicContact CE1-CG2 3.74Å; F57-V65 HydrophobicContact CZ-CG1 4.46Å; F57-V65 HydrophobicContact CZ-CG2 4.05Å; F57-V96 HydrophobicContact CE2-CG1 4.42Å; F57-V96 HydrophobicContact CZ-CG1 4Å; F57-A99 HydrophobicContact CB-CB 3.91Å; F57-A99 HydrophobicContact CD1-CB 4.02Å; F57-A99 HydrophobicContact CD2-CB 3.77Å; F57-A99 HydrophobicContact CE2-CB 4.3Å; F57-A99 HydrophobicContact CG-CB 3.61Å; F57-A100 HydrophobicContact CD1-CB 4.4Å; F57-A100 VanDerWaalsContact CE1-CA 3.5Å; F57-A100 HydrophobicContact CE1-CB 3.67Å; F57-A100 HydrophobicContact CZ-CB 4.37Å; F57-V103 HydrophobicContact CB-CG1 4.05Å; F57-V103 HydrophobicContact CD1-CG2 3.95Å
58E98.5Very high98.6Very high102 Ų10251.4 Ų51.448%0.47725%0.248SC..Hα-helixtrans-67.8-36.7177.1-172.754.8-137.500111.9Q54 H60 R61Q54-E58 WeakPolarHBondContact O-CB 3.18Å; Q54-E58 PolarHBondContact O-N 2.87Å; E58-H60 PolarHBondContact O-N 2.92Å; E58-R61 VanDerWaalsContact CD-NH1 3.29Å; E58-R61 WeakPolarHBondContact O-CG 3.49Å; E58-R61 IonicContact OE1-CZ 3.88Å; E58-R61 IonicContact OE1-NH1 2.75Å; E58-R61 PolarHBondContact OE1-NH1 2.93Å; E58-R61 IonicContact OE2-NH1 3.06Å; E58-R61 PolarHBondContact OE2-NH1 2.81Å
59K98.5Very high98.6Very high161 Ų16148.5 Ų48.570%0.724%0.236SC*.Hα-helixtrans-60.2-45.5175.5176.4-175.1173-165.40112.3A55A55-K59 VanDerWaalsContact O-CB 3.29Å; A55-K59 WeakPolarHBondContact O-CB 3.22Å; A55-K59 PolarHBondContact O-N 3.36Å
60H98.3Very high98.6Very high36 Ų3647.5 Ų47.517%0.16724%0.236CC..Hα-helixtrans-95-25.5-171.5-71.8-70000113.6L9 I38 V56 F57 E58L9-H60 HydrophobicContact CD1-CB 4.01Å; I38-H60 HydrophobicContact CD1-CB 3.98Å; V56-H60 PolarHBondContact O-CD2 2.98Å; V56-H60 VanDerWaalsContact O-CD2 3.28Å; V56-H60 PolarHBondContact O-N 2.9Å; F57-H60 PolarHBondContact O-N 3.47Å; E58-H60 PolarHBondContact O-N 2.92Å
61R98.2Very high98.5Very high118 Ų11845 Ų4545%0.44523%0.226SC..  trans42.459.5-174.4-57.8-165.163.387.711.4112.2F57 E58 V103F57-R61 WeakPolarHBondContact O-CA 3.25Å; F57-R61 PolarHBondContact O-N 3.17Å; E58-R61 VanDerWaalsContact CD-NH1 3.29Å; E58-R61 WeakPolarHBondContact O-CG 3.49Å; E58-R61 IonicContact OE1-CZ 3.88Å; E58-R61 IonicContact OE1-NH1 2.75Å; E58-R61 PolarHBondContact OE1-NH1 2.93Å; E58-R61 IonicContact OE2-NH1 3.06Å; E58-R61 PolarHBondContact OE2-NH1 2.81Å; R61-V103 PolarHBondContact NH2-O 3.43Å
62P98.4Very high98.1Very high2 Ų242.6 Ų42.61%0.01322%0.219CC..  trans-62.7142.5-176.626.5-34.4000111.7L9 F57 V65 V103 T105L9-P62 HydrophobicContact CB-CB 3.69Å; L9-P62 HydrophobicContact CB-CG 4Å; F57-P62 HydrophobicContact CD1-CG 3.85Å; F57-P62 HydrophobicContact CE1-CG 3.94Å; P62-V65 HydrophobicContact CB-CG2 4.26Å; P62-V65 HydrophobicContact CG-CG2 4.06Å; P62-V103 HydrophobicContact CG-CG2 4.43Å; P62-T105 PolarHBondContact O-OG1 2.86Å
63T98.3Very high97.5Very high43 Ų4338.9 Ų38.926%0.26420%0.204SC..SBendtrans-87.1-23.5168.459.60000111K7 T105 V106K7-T63 PolarHBondContact N-OG1 3.48Å; K7-T63 PolarHBondContact O-N 3.33Å; K7-T63 PolarHBondContact O-OG1 3.44Å; T63-T105 WeakPolarHBondContact O-CG2 3.18Å; T63-V106 WeakPolarHBondContact O-CB 3.42Å; T63-V106 PolarHBondContact O-N 3.36Å
64H98.7Very high96.8Very high26 Ų2639.1 Ų39.112%0.1221%0.206CC..EExtended strand (participates in β ladder)trans-138146.8-179.1-65.969.4000110.3K7 V8 L9 K107 L230K7-H64 PolarHBondContact O-N 2.87Å; V8-H64 WeakPolarHBondContact CA-O 3.18Å; V8-H64 HydrophobicContact CG1-CB 4.4Å; V8-H64 HydrophobicContact CG2-CB 4.2Å; L9-H64 PolarHBondContact N-O 3.29Å; H64-K107 CarbonylContact C-O 3.54Å; H64-K107 WeakPolarHBondContact CA-O 3.37Å; H64-L230 HydrophobicContact CB-CD1 4.09Å; H64-L230 HydrophobicContact CB-CD2 4.49Å
65V98.9Very high95.9Very high0 Ų039.2 Ų39.20%021%0.209CC..EExtended strand (participates in β ladder)trans-130.3132.6177176.90000110.2L9 T11 F57 P62 H67 V96 A100 T105 K107 V108 V109L9-V65 HydrophobicContact CB-CG2 4.35Å; L9-V65 CarbonylContact O-C 3.59Å; L9-V65 VanDerWaalsContact O-CA 3.27Å; L9-V65 WeakPolarHBondContact O-CA 3.17Å; T11-V65 HydrophobicContact CG2-CG1 4.49Å; F57-V65 HydrophobicContact CE1-CG2 3.74Å; F57-V65 HydrophobicContact CZ-CG1 4.46Å; F57-V65 HydrophobicContact CZ-CG2 4.05Å; P62-V65 HydrophobicContact CB-CG2 4.26Å; P62-V65 HydrophobicContact CG-CG2 4.06Å; V65-H67 HydrophobicContact CG1-CB 4.22Å; V65-V96 HydrophobicContact CG1-CG1 4.48Å; V65-A100 HydrophobicContact CG2-CB 4.42Å; V65-T105 HydrophobicContact CB-CG2 4.43Å; V65-T105 HydrophobicContact CG2-CG2 3.79Å; V65-K107 PolarHBondContact N-O 3.35Å; V65-V108 HydrophobicContact CB-CB 4.45Å; V65-V108 HydrophobicContact CB-CG1 4.14Å; V65-V108 HydrophobicContact CB-CG2 4.08Å; V65-V108 HydrophobicContact CG1-CG1 4.2Å; V65-V108 HydrophobicContact CG2-CG2 4.44Å; V65-V108 CarbonylContact O-C 3.53Å; V65-V108 WeakPolarHBondContact O-CA 3.4Å; V65-V109 PolarHBondContact O-N 2.85Å
66I98.9Very high95.2Very high0 Ų039.6 Ų39.60%020%0.199CC..EExtended strand (participates in β ladder)trans-103.6112.1160.1-58.3-176000107.3V8 L9 V10 T11 I21 W37 L68 V109 F226 L230V8-I66 HydrophobicContact CG1-CD1 4.43Å; V8-I66 HydrophobicContact CG1-CG1 4.14Å; L9-I66 PolarHBondContact O-N 3.33Å; V10-I66 CarbonylContact C-O 3.59Å; V10-I66 WeakPolarHBondContact CA-O 3.33Å; V10-I66 HydrophobicContact CG1-CB 4.31Å; V10-I66 HydrophobicContact CG1-CG2 4.48Å; V10-I66 HydrophobicContact CG2-CB 4.25Å; T11-I66 PolarHBondContact N-O 2.75Å; I21-I66 HydrophobicContact CD1-CD1 4.17Å; I21-I66 HydrophobicContact CD1-CG2 4.24Å; W37-I66 HydrophobicContact CH2-CD1 4.27Å; W37-I66 HydrophobicContact CZ3-CD1 3.89Å; I66-L68 HydrophobicContact CG2-CD1 4.23Å; I66-L68 HydrophobicContact CG2-CD2 3.58Å; I66-L68 HydrophobicContact CG2-CG 3.77Å; I66-V109 WeakPolarHBondContact CA-O 3.21Å; I66-F226 HydrophobicContact CD1-CD1 4.43Å; I66-F226 HydrophobicContact CG2-CD1 3.71Å; I66-F226 HydrophobicContact CG2-CE1 3.68Å; I66-L230 HydrophobicContact CD1-CD2 4.1Å; I66-L230 HydrophobicContact CG1-CD1 4Å; I66-L230 HydrophobicContact CG1-CD2 4.15Å
67H98.9Very high94.6Very high0 Ų042 Ų420%021%0.208CC..EExtended strand (participates in β ladder)trans-98.595.9-175.7179.142.6000111.1T11 V65 A69 N93 V96 V108 V109 C111T11-H67 PolarHBondContact OG1-ND1 2.84Å; V65-H67 HydrophobicContact CG1-CB 4.22Å; H67-A69 PolarHBondContact CE1-O 2.73Å; H67-A69 VanDerWaalsContact CE1-O 3.31Å; H67-N93 PolarHBondContact NE2-OD1 2.93Å; H67-V96 HydrophobicContact CB-CG1 4.23Å; H67-V108 HydrophobicContact CB-CG1 4.39Å; H67-V109 PolarHBondContact N-O 2.92Å; H67-C111 PolarHBondContact O-N 3.45Å
68L98.8Very high94.2Very high24 Ų2442.4 Ų42.413%0.12621%0.211CC..  trans-106.2-17.8179.7-44.5170.1000113.1V10 T11 V17 I21 I66 A70 C111 F226V10-L68 HydrophobicContact CG1-CD1 3.68Å; V10-L68 HydrophobicContact CG1-CG 4.31Å; T11-L68 WeakPolarHBondContact O-CA 3.36Å; T11-L68 WeakPolarHBondContact O-CB 3.46Å; T11-L68 PolarHBondContact O-N 3.06Å; T11-L68 VanDerWaalsContact O-N 3.11Å; T11-L68 PolarHBondContact OG1-N 3.24Å; V17-L68 HydrophobicContact CB-CD1 4.06Å; V17-L68 HydrophobicContact CB-CD2 4.45Å; V17-L68 HydrophobicContact CG1-CD1 3.88Å; V17-L68 HydrophobicContact CG1-CD2 3.88Å; V17-L68 HydrophobicContact CG1-CG 4.5Å; I21-L68 HydrophobicContact CD1-CD1 3.98Å; I66-L68 HydrophobicContact CG2-CD1 4.23Å; I66-L68 HydrophobicContact CG2-CD2 3.58Å; I66-L68 HydrophobicContact CG2-CG 3.77Å; L68-A70 PolarHBondContact O-N 3.41Å; L68-C111 HydrophobicContact CD2-CB 3.98Å; L68-F226 HydrophobicContact CD2-CE1 3.78Å; L68-F226 HydrophobicContact CD2-CE2 4.05Å; L68-F226 HydrophobicContact CD2-CZ 3.43Å; L68-F226 VanDerWaalsContact CD2-CZ 3.43Å
69A98.5Very high93.6Very high15 Ų1542.3 Ų42.312%0.12421%0.212CC..  trans-61.5131.2-178.100000111.3T11 L47 H67 I92T11-A69 PolarHBondContact O-N 3.03Å; T11-A69 VanDerWaalsContact OG1-CB 3.23Å; T11-A69 WeakPolarHBondContact OG1-CB 3.47Å; T11-A69 PolarHBondContact OG1-N 2.72Å; T11-A69 VanDerWaalsContact OG1-N 3.15Å; L47-A69 HydrophobicContact CD1-CB 3.51Å; H67-A69 PolarHBondContact CE1-O 2.73Å; H67-A69 VanDerWaalsContact CE1-O 3.31Å; A69-I92 HydrophobicContact CB-CG2 4.4Å
70A97.8Very high93.3Very high30 Ų3042.4 Ų42.425%0.24821%0.212CC..  trans-158.3154.617600000109.4L68 V72 N89L68-A70 PolarHBondContact O-N 3.41Å; A70-V72 PolarHBondContact O-N 2.94Å; A70-N89 WeakPolarHBondContact CA-OD1 3.42Å; A70-N89 WeakPolarHBondContact CB-OD1 3.27Å
71M96.1Very high93.1Very high45 Ų4544.3 Ų44.322%0.22222%0.221CC..  trans-75.5112.8157.7178.6179.217300107.5D84 F85 N88 N89M71-D84 HydrophobicContact CE-CB 3.9Å; M71-D84 HydrophobicContact SD-CB 4.27Å; M71-F85 HydrophobicContact CE-CD1 4.44Å; M71-F85 HydrophobicContact CE-CD2 4.13Å; M71-F85 HydrophobicContact CE-CE1 4.39Å; M71-F85 HydrophobicContact CE-CE2 4.03Å; M71-F85 HydrophobicContact CE-CG 4.33Å; M71-F85 HydrophobicContact CE-CZ 4.18Å; M71-F85 HydrophobicContact CG-CD1 4.01Å; M71-F85 HydrophobicContact CG-CE1 3.94Å; M71-F85 WeakPolarHBondContact O-CD1 3.49Å; M71-F85 VanDerWaalsContact O-CE1 3.29Å; M71-F85 WeakPolarHBondContact O-CE1 3.39Å; M71-F85 HydrophobicContact SD-CD1 4.43Å; M71-N88 HydrophobicContact CB-CB 4.26Å; M71-N88 HydrophobicContact SD-CB 3.89Å; M71-N88 PolarHBondContact SD-ND2 3.06Å; M71-N89 PolarHBondContact N-OD1 2.97Å; M71-N89 PolarHBondContact O-ND2 3.49Å
72V91.3Very high93Very high71 Ų7139.7 Ų39.743%0.4321%0.205SC..  trans-126.4154.1-173.167.90000111.5A70A70-V72 PolarHBondContact O-N 2.94Å
73G84.8Confident93Very high9 Ų945.1 Ų45.19%0.09323%0.233CC..  trans-171.2169.7173.500000112N78G73-N78 PolarHBondContact O-ND2 3.25Å
74G84.2Confident93Very high4 Ų446.4 Ų46.44%0.04124%0.239CC..  trans-67177.8173.100000113.5F76 K77 N78 D183 G184G74-F76 PolarHBondContact O-N 2.97Å; G74-K77 PolarHBondContact O-N 2.85Å; G74-N78 PolarHBondContact O-N 2.94Å; G74-N78 VanDerWaalsContact O-N 3.17Å; G74-N78 PolarHBondContact O-ND2 3.47Å; G74-D183 PolarHBondContact N-O 3.45Å; G74-G184 WeakPolarHBondContact CA-O 3.47Å
75L81.6Confident93Very high64 Ų6445.2 Ų45.234%0.33523%0.233SC..Hα-helixtrans-53.1-50.4-175.6177.361.4000112.3K77 N78 M79L75-K77 VanDerWaalsContact C-N 3.35Å; L75-K77 PolarHBondContact O-N 3.05Å; L75-N78 PolarHBondContact O-N 3.27Å; L75-M79 HydrophobicContact CD1-CG 4.48Å; L75-M79 HydrophobicContact CD1-SD 4.28Å; L75-M79 HydrophobicContact CG-SD 4.19Å; L75-M79 WeakPolarHBondContact O-CG 3.47Å; L75-M79 PolarHBondContact O-N 2.83Å; L75-M79 VanDerWaalsContact O-N 3.15Å
76F82.5Confident93Very high69 Ų6949.8 Ų49.830%0.30325%0.25SS..Hα-helixtrans-67.1-33.6-175.5-60.5-72.3000113.3G74 K80 W207G74-F76 PolarHBondContact O-N 2.97Å; F76-K80 WeakPolarHBondContact O-CG 3.47Å; F76-K80 PolarHBondContact O-N 3.07Å; F76-W207 HydrophobicContact CD2-CE3 4.38Å; F76-W207 AromaticContact CD2-CZ3 3.94Å; F76-W207 HydrophobicContact CD2-CZ3 3.94Å; F76-W207 AromaticContact CE2-CE3 3.53Å; F76-W207 HydrophobicContact CE2-CE3 3.53Å; F76-W207 AromaticContact CE2-CZ3 3.53Å; F76-W207 HydrophobicContact CE2-CZ3 3.53Å; F76-W207 HydrophobicContact CZ-CE3 4.06Å; F76-W207 HydrophobicContact CZ-CZ3 4.29Å
77K87.1Confident92.9Very high61 Ų6155.4 Ų55.427%0.26527%0.272SS..Hα-helixtrans-68.3-43.8176.3-167.3176-165.3152.80111.4G74 L75 M79 K80 H81 F85 D183G74-K77 PolarHBondContact O-N 2.85Å; L75-K77 VanDerWaalsContact C-N 3.35Å; L75-K77 PolarHBondContact O-N 3.05Å; K77-M79 VanDerWaalsContact C-N 3.35Å; K77-M79 PolarHBondContact O-N 3.3Å; K77-K80 PolarHBondContact O-N 3.32Å; K77-H81 PolarHBondContact O-CD2 3.39Å; K77-H81 PolarHBondContact O-N 3.46Å; K77-F85 HydrophobicContact CD-CZ 4.38Å; K77-F85 HydrophobicContact CG-CE2 4.14Å; K77-F85 HydrophobicContact CG-CZ 4.15Å; K77-D183 HydrophobicContact CD-CB 4.41Å; K77-D183 IonicContact NZ-OD1 3.04Å; K77-D183 IonicContact NZ-OD2 2.84Å; K77-D183 PolarHBondContact NZ-OD2 3.45Å
78N89.4Confident92.9Very high10 Ų1057.5 Ų57.55%0.05328%0.283CS..Hα-helixtrans-59.8-45.1177.1-79.9-93.2000112G73 G74 L75 K80 H81 N82 F85 S138 N139 Y142G73-N78 PolarHBondContact O-ND2 3.25Å; G74-N78 PolarHBondContact O-N 2.94Å; G74-N78 VanDerWaalsContact O-N 3.17Å; G74-N78 PolarHBondContact O-ND2 3.47Å; L75-N78 PolarHBondContact O-N 3.27Å; N78-K80 PolarHBondContact O-N 3.32Å; N78-H81 PolarHBondContact O-N 3.3Å; N78-N82 PolarHBondContact O-N 3.49Å; N78-N82 PolarHBondContact O-ND2 2.78Å; N78-F85 HydrophobicContact CB-CE2 4.34Å; N78-S138 CarbonylContact C-O 3.57Å; N78-N139 HydrophobicContact CB-CB 3.64Å; N78-Y142 WeakPolarHBondContact OD1-CB 3.41Å
79M87.2Confident92.9Very high100 Ų10056.3 Ų56.349%0.49328%0.277SS..Hα-helixtrans-57.1-37.6-180-72.51787300112.9L75 K77 S138L75-M79 HydrophobicContact CD1-CG 4.48Å; L75-M79 HydrophobicContact CD1-SD 4.28Å; L75-M79 HydrophobicContact CG-SD 4.19Å; L75-M79 WeakPolarHBondContact O-CG 3.47Å; L75-M79 PolarHBondContact O-N 2.83Å; L75-M79 VanDerWaalsContact O-N 3.15Å; K77-M79 VanDerWaalsContact C-N 3.35Å; K77-M79 PolarHBondContact O-N 3.3Å; M79-S138 WeakPolarHBondContact CA-O 3.34Å; M79-S138 WeakPolarHBondContact CG-O 3.18Å; M79-S138 PolarHBondContact N-O 2.85Å
80K90.9Very high92.9Very high164 Ų16457.8 Ų57.871%0.71328%0.282SS*.Hα-helixtrans-78.5-25.1-177.1-69.1175.2-177.6178.90113.9F76 K77 N78F76-K80 WeakPolarHBondContact O-CG 3.47Å; F76-K80 PolarHBondContact O-N 3.07Å; K77-K80 PolarHBondContact O-N 3.32Å; N78-K80 PolarHBondContact O-N 3.32Å
81H95Very high93Very high75 Ų7561 Ų6135%0.34729%0.288SS..  trans-13032.3-163.9-64-74.6000114.1K77 N78 L83 D84 F85K77-H81 PolarHBondContact O-CD2 3.39Å; K77-H81 PolarHBondContact O-N 3.46Å; N78-H81 PolarHBondContact O-N 3.3Å; H81-L83 VanDerWaalsContact C-N 3.27Å; H81-L83 PolarHBondContact O-N 3.36Å; H81-L83 VanDerWaalsContact O-N 3.13Å; H81-D84 HydrophobicContact CB-CB 4.29Å; H81-D84 IonicContact CG-OD2 2.75Å; H81-D84 IonicContact ND1-OD2 3.86Å; H81-D84 PolarHBondContact ND1-OD2 3.38Å; H81-D84 PolarHBondContact O-N 3.18Å; H81-F85 HydrophobicContact CB-CD2 3.84Å; H81-F85 HydrophobicContact CB-CE2 3.96Å; H81-F85 VanDerWaalsContact O-CD2 3.31Å; H81-F85 WeakPolarHBondContact O-CD2 3.34Å; H81-F85 PolarHBondContact O-N 3.06Å
82N96.4Very high93.1Very high22 Ų2259.6 Ų59.612%0.11828%0.281CS..Hα-helixtrans-51.7-39.9-174.3-90.3-69.1000114.3N78 W86 N139 F140 G141N78-N82 PolarHBondContact O-N 3.49Å; N78-N82 PolarHBondContact O-ND2 2.78Å; N82-W86 WeakPolarHBondContact O-CB 3.31Å; N82-W86 PolarHBondContact O-N 3.11Å; N82-N139 VanDerWaalsContact OD1-C 3.3Å; N82-N139 WeakPolarHBondContact OD1-CA 3.15Å; N82-F140 HydrophobicContact CB-CD1 4.31Å; N82-F140 HydrophobicContact CB-CE1 3.7Å; N82-F140 HydrophobicContact CB-CZ 3.84Å; N82-F140 VanDerWaalsContact CG-CE1 3.46Å; N82-F140 WeakPolarHBondContact OD1-CD1 3.43Å; N82-F140 PolarHBondContact OD1-N 2.8Å; N82-F140 VanDerWaalsContact OD1-N 3.14Å; N82-G141 PolarHBondContact OD1-N 3.3Å
83L98.1Very high93.5Very high116 Ų11656.4 Ų56.461%0.60726%0.262SS*.Hα-helixtrans-64.9-43.8177.5179.461.1000112.2H81 W86 R87H81-L83 VanDerWaalsContact C-N 3.27Å; H81-L83 PolarHBondContact O-N 3.36Å; H81-L83 VanDerWaalsContact O-N 3.13Å; L83-W86 PolarHBondContact O-N 3.24Å; L83-R87 HydrophobicContact CD1-CG 3.93Å; L83-R87 HydrophobicContact CG-CG 4.47Å; L83-R87 WeakPolarHBondContact O-CG 3.41Å; L83-R87 PolarHBondContact O-N 3.36Å
84D98.1Very high94.1Very high70 Ų7059.2 Ų59.237%0.37428%0.275SS..Hα-helixtrans-65.6-45.5179.3-56.3-36.8000110.3M71 H81 W86 R87 N88M71-D84 HydrophobicContact CE-CB 3.9Å; M71-D84 HydrophobicContact SD-CB 4.27Å; H81-D84 HydrophobicContact CB-CB 4.29Å; H81-D84 IonicContact CG-OD2 2.75Å; H81-D84 IonicContact ND1-OD2 3.86Å; H81-D84 PolarHBondContact ND1-OD2 3.38Å; H81-D84 PolarHBondContact O-N 3.18Å; D84-W86 VanDerWaalsContact C-N 3.29Å; D84-W86 PolarHBondContact O-N 3.15Å; D84-R87 PolarHBondContact O-N 3.06Å; D84-N88 WeakPolarHBondContact O-CB 3.38Å; D84-N88 VanDerWaalsContact O-CG 3.24Å; D84-N88 PolarHBondContact O-N 2.79Å; D84-N88 PolarHBondContact O-ND2 2.93Å
85F98Very high94.8Very high0 Ų059.8 Ų59.80%028%0.277CS..Hα-helixtrans-59.3-39.5175.3-86-76.9000112.3M71 K77 N78 H81 N89 Y142M71-F85 HydrophobicContact CE-CD1 4.44Å; M71-F85 HydrophobicContact CE-CD2 4.13Å; M71-F85 HydrophobicContact CE-CE1 4.39Å; M71-F85 HydrophobicContact CE-CE2 4.03Å; M71-F85 HydrophobicContact CE-CG 4.33Å; M71-F85 HydrophobicContact CE-CZ 4.18Å; M71-F85 HydrophobicContact CG-CD1 4.01Å; M71-F85 HydrophobicContact CG-CE1 3.94Å; M71-F85 WeakPolarHBondContact O-CD1 3.49Å; M71-F85 VanDerWaalsContact O-CE1 3.29Å; M71-F85 WeakPolarHBondContact O-CE1 3.39Å; M71-F85 HydrophobicContact SD-CD1 4.43Å; K77-F85 HydrophobicContact CD-CZ 4.38Å; K77-F85 HydrophobicContact CG-CE2 4.14Å; K77-F85 HydrophobicContact CG-CZ 4.15Å; N78-F85 HydrophobicContact CB-CE2 4.34Å; H81-F85 HydrophobicContact CB-CD2 3.84Å; H81-F85 HydrophobicContact CB-CE2 3.96Å; H81-F85 VanDerWaalsContact O-CD2 3.31Å; H81-F85 WeakPolarHBondContact O-CD2 3.34Å; H81-F85 PolarHBondContact O-N 3.06Å; F85-N89 VanDerWaalsContact O-CB 3.3Å; F85-N89 WeakPolarHBondContact O-CB 3.18Å; F85-N89 PolarHBondContact O-N 3.36Å; F85-N89 PolarHBondContact O-ND2 3.03Å; F85-Y142 AromaticContact CD1-CD2 3.89Å; F85-Y142 HydrophobicContact CD1-CD2 3.89Å; F85-Y142 HydrophobicContact CD1-CG 4.39Å; F85-Y142 HydrophobicContact CE1-CD2 4.47Å
86W98.6Very high95.7Very high96 Ų9656.7 Ų56.736%0.36426%0.261SS..Hα-helixtrans-64.4-61.6174167.8-103.4000111.3N82 L83 D84 N88 N89 I90 G141 A145 M148N82-W86 WeakPolarHBondContact O-CB 3.31Å; N82-W86 PolarHBondContact O-N 3.11Å; L83-W86 PolarHBondContact O-N 3.24Å; D84-W86 VanDerWaalsContact C-N 3.29Å; D84-W86 PolarHBondContact O-N 3.15Å; W86-N88 PolarHBondContact O-N 2.85Å; W86-N89 PolarHBondContact O-N 3.31Å; W86-I90 HydrophobicContact CD2-CG1 3.95Å; W86-I90 HydrophobicContact CE3-CD1 4.36Å; W86-I90 HydrophobicContact CE3-CG1 4.03Å; W86-I90 HydrophobicContact CH2-CD1 3.81Å; W86-I90 HydrophobicContact CH2-CG1 4.01Å; W86-I90 HydrophobicContact CZ2-CD1 4.16Å; W86-I90 HydrophobicContact CZ2-CG1 3.92Å; W86-I90 HydrophobicContact CZ3-CD1 3.89Å; W86-I90 HydrophobicContact CZ3-CG1 4.04Å; W86-I90 WeakPolarHBondContact O-CB 3.47Å; W86-I90 VanDerWaalsContact O-CG1 3.3Å; W86-I90 WeakPolarHBondContact O-CG1 3.23Å; W86-I90 PolarHBondContact O-N 3.35Å; W86-G141 WeakPolarHBondContact CA-O 3.43Å; W86-A145 HydrophobicContact CE3-CB 3.94Å; W86-A145 HydrophobicContact CZ3-CB 4.33Å; W86-M148 HydrophobicContact CH2-CG 4.25Å; W86-M148 HydrophobicContact CZ3-CG 4.38Å
87R98.6Very high96.4Very high119 Ų11953.4 Ų53.445%0.44925%0.246SC..Hα-helixtrans-62.2-47.2-171-70-16968.9175.1-0.4112.3L83 D84 I90 Y91L83-R87 HydrophobicContact CD1-CG 3.93Å; L83-R87 HydrophobicContact CG-CG 4.47Å; L83-R87 WeakPolarHBondContact O-CG 3.41Å; L83-R87 PolarHBondContact O-N 3.36Å; D84-R87 PolarHBondContact O-N 3.06Å; R87-I90 PolarHBondContact O-N 2.89Å; R87-Y91 HydrophobicContact CB-CE2 4.35Å; R87-Y91 PolarHBondContact NH2-OH 2.87Å; R87-Y91 WeakPolarHBondContact O-CD2 3.4Å; R87-Y91 PolarHBondContact O-N 3.45Å
88N98.6Very high97Very high43 Ų4353.4 Ų53.423%0.2325%0.247CC..Hα-helixtrans-67.3-41.9-174.6-65.1-8.9000110.9M48 M71 D84 W86 Y91 I92M48-N88 HydrophobicContact SD-CB 3.7Å; M48-N88 VanDerWaalsContact SD-CG 3.52Å; M71-N88 HydrophobicContact CB-CB 4.26Å; M71-N88 HydrophobicContact SD-CB 3.89Å; M71-N88 PolarHBondContact SD-ND2 3.06Å; D84-N88 WeakPolarHBondContact O-CB 3.38Å; D84-N88 VanDerWaalsContact O-CG 3.24Å; D84-N88 PolarHBondContact O-N 2.79Å; D84-N88 PolarHBondContact O-ND2 2.93Å; W86-N88 PolarHBondContact O-N 2.85Å; N88-Y91 PolarHBondContact O-N 2.88Å; N88-I92 WeakPolarHBondContact O-CB 3.36Å; N88-I92 WeakPolarHBondContact O-CD1 3.48Å; N88-I92 WeakPolarHBondContact O-CG1 3.44Å; N88-I92 PolarHBondContact O-N 3.43Å
89N98.8Very high97.4Very high0 Ų053 Ų530%025%0.245CC..Hα-helixtrans-70-36.9177-73.8-67.3000112A70 M71 F85 W86 Y91 I92 N93 A145A70-N89 WeakPolarHBondContact CA-OD1 3.42Å; A70-N89 WeakPolarHBondContact CB-OD1 3.27Å; M71-N89 PolarHBondContact N-OD1 2.97Å; M71-N89 PolarHBondContact O-ND2 3.49Å; F85-N89 VanDerWaalsContact O-CB 3.3Å; F85-N89 WeakPolarHBondContact O-CB 3.18Å; F85-N89 PolarHBondContact O-N 3.36Å; F85-N89 PolarHBondContact O-ND2 3.03Å; W86-N89 PolarHBondContact O-N 3.31Å; N89-Y91 PolarHBondContact O-N 3.27Å; N89-I92 PolarHBondContact O-N 2.91Å; N89-N93 VanDerWaalsContact O-CB 3.26Å; N89-N93 WeakPolarHBondContact O-CB 3.43Å; N89-N93 PolarHBondContact O-N 3.03Å; N89-N93 PolarHBondContact O-ND2 3.24Å; N89-N93 PolarHBondContact O-OD1 3.21Å; N89-A145 HydrophobicContact CB-CB 3.69Å
90I98.7Very high98Very high45 Ų4548.2 Ų48.223%0.23122%0.222CC..Hα-helixtrans-59-47.7173.1-71.1-65.7000110.8W86 R87 N93 D94 A145 M148W86-I90 HydrophobicContact CD2-CG1 3.95Å; W86-I90 HydrophobicContact CE3-CD1 4.36Å; W86-I90 HydrophobicContact CE3-CG1 4.03Å; W86-I90 HydrophobicContact CH2-CD1 3.81Å; W86-I90 HydrophobicContact CH2-CG1 4.01Å; W86-I90 HydrophobicContact CZ2-CD1 4.16Å; W86-I90 HydrophobicContact CZ2-CG1 3.92Å; W86-I90 HydrophobicContact CZ3-CD1 3.89Å; W86-I90 HydrophobicContact CZ3-CG1 4.04Å; W86-I90 WeakPolarHBondContact O-CB 3.47Å; W86-I90 VanDerWaalsContact O-CG1 3.3Å; W86-I90 WeakPolarHBondContact O-CG1 3.23Å; W86-I90 PolarHBondContact O-N 3.35Å; R87-I90 PolarHBondContact O-N 2.89Å; I90-N93 PolarHBondContact O-N 3.42Å; I90-D94 WeakPolarHBondContact O-CB 3.41Å; I90-D94 PolarHBondContact O-N 2.87Å; I90-A145 HydrophobicContact CD1-CB 4.13Å; I90-A145 HydrophobicContact CG1-CB 4.08Å; I90-M148 HydrophobicContact CD1-CB 4.04Å; I90-M148 HydrophobicContact CD1-CG 4.09Å
91Y98.8Very high98.3Very high98 Ų9842.8 Ų42.838%0.38420%0.199SC..Hα-helixtrans-61.8-46.3177.6-68.8-46000112.7R87 N88 N89 N93 N95R87-Y91 HydrophobicContact CB-CE2 4.35Å; R87-Y91 PolarHBondContact NH2-OH 2.87Å; R87-Y91 WeakPolarHBondContact O-CD2 3.4Å; R87-Y91 PolarHBondContact O-N 3.45Å; N88-Y91 PolarHBondContact O-N 2.88Å; N89-Y91 PolarHBondContact O-N 3.27Å; Y91-N93 PolarHBondContact O-N 3.45Å; Y91-N95 VanDerWaalsContact O-CB 3.22Å; Y91-N95 WeakPolarHBondContact O-CB 3.46Å; Y91-N95 PolarHBondContact O-N 3.19Å; Y91-N95 PolarHBondContact O-ND2 3.42Å; Y91-N95 VanDerWaalsContact O-ND2 3.13Å
92I98.9Very high98.5Very high15 Ų1543.7 Ų43.78%0.07720%0.203CC..Hα-helixtrans-58.8-49.7178.2-69.5165.2000110.8L47 M48 A69 N88 N89 V96L47-I92 HydrophobicContact CB-CG1 4.19Å; L47-I92 HydrophobicContact CB-CG2 4.14Å; L47-I92 WeakPolarHBondContact O-CA 3.47Å; M48-I92 HydrophobicContact CG-CD1 4.03Å; M48-I92 HydrophobicContact CG-CG1 3.68Å; A69-I92 HydrophobicContact CB-CG2 4.4Å; N88-I92 WeakPolarHBondContact O-CB 3.36Å; N88-I92 WeakPolarHBondContact O-CD1 3.48Å; N88-I92 WeakPolarHBondContact O-CG1 3.44Å; N88-I92 PolarHBondContact O-N 3.43Å; N89-I92 PolarHBondContact O-N 2.91Å; I92-V96 WeakPolarHBondContact O-CB 3.26Å; I92-V96 VanDerWaalsContact O-CG2 3.25Å; I92-V96 WeakPolarHBondContact O-CG2 3.24Å; I92-V96 PolarHBondContact O-N 2.86Å
93N98.8Very high98.6Very high4 Ų443.4 Ų43.42%0.02120%0.202CC..Hα-helixtrans-67.5-44.8-175.2-61.2-21.1000111.2H67 N89 I90 Y91 L97 A145 I149H67-N93 PolarHBondContact NE2-OD1 2.93Å; N89-N93 VanDerWaalsContact O-CB 3.26Å; N89-N93 WeakPolarHBondContact O-CB 3.43Å; N89-N93 PolarHBondContact O-N 3.03Å; N89-N93 PolarHBondContact O-ND2 3.24Å; N89-N93 PolarHBondContact O-OD1 3.21Å; I90-N93 PolarHBondContact O-N 3.42Å; Y91-N93 PolarHBondContact O-N 3.45Å; N93-L97 WeakPolarHBondContact O-CB 3.2Å; N93-L97 VanDerWaalsContact O-CG 3.24Å; N93-L97 WeakPolarHBondContact O-CG 3.21Å; N93-L97 PolarHBondContact O-N 3.41Å; N93-A145 PolarHBondContact ND2-O 2.9Å; N93-I149 HydrophobicContact CB-CD1 4.47Å; N93-I149 HydrophobicContact CB-CG1 4.01Å; N93-I149 WeakPolarHBondContact ND2-CG1 3.35Å
94D98.8Very high98.5Very high69 Ų6940.1 Ų40.137%0.36920%0.197SC..Hα-helixtrans-62.4-51.3179-173.560.5000111.2I90 V96 L97 Q98 H152I90-D94 WeakPolarHBondContact O-CB 3.41Å; I90-D94 PolarHBondContact O-N 2.87Å; D94-V96 VanDerWaalsContact C-N 3.35Å; D94-V96 PolarHBondContact O-N 2.96Å; D94-L97 PolarHBondContact O-N 3.41Å; D94-Q98 WeakPolarHBondContact O-CB 3.48Å; D94-Q98 PolarHBondContact O-N 3.46Å; D94-H152 IonicContact OD1-CE1 3.7Å; D94-H152 PolarHBondContact OD1-CE1 3.45Å
95N98.9Very high98.5Very high15 Ų1536.9 Ų36.98%0.0818%0.179CC..Hα-helixtrans-58.5-45.1179.4-71.5-24.4000111.9L47 M48 T53 Y91 A99L47-N95 PolarHBondContact O-ND2 2.8Å; M48-N95 PolarHBondContact O-ND2 3.14Å; T53-N95 HydrophobicContact CG2-CB 3.91Å; Y91-N95 VanDerWaalsContact O-CB 3.22Å; Y91-N95 WeakPolarHBondContact O-CB 3.46Å; Y91-N95 PolarHBondContact O-N 3.19Å; Y91-N95 PolarHBondContact O-ND2 3.42Å; Y91-N95 VanDerWaalsContact O-ND2 3.13Å; N95-A99 WeakPolarHBondContact O-CB 3.41Å; N95-A99 PolarHBondContact O-N 3Å
96V98.9Very high98.4Very high0 Ų041.2 Ų41.20%021%0.205CC..Hα-helixtrans-67.8-46.8-178.31690000111.5T11 L47 T53 F57 V65 H67 I92 D94 A100T11-V96 HydrophobicContact CG2-CG1 4.37Å; T11-V96 HydrophobicContact CG2-CG2 4.4Å; L47-V96 HydrophobicContact CB-CG2 4.49Å; L47-V96 HydrophobicContact CD1-CG2 4.09Å; L47-V96 HydrophobicContact CD2-CG2 4.14Å; L47-V96 HydrophobicContact CG-CG2 4.48Å; T53-V96 HydrophobicContact CG2-CG2 4.27Å; F57-V96 HydrophobicContact CE2-CG1 4.42Å; F57-V96 HydrophobicContact CZ-CG1 4Å; V65-V96 HydrophobicContact CG1-CG1 4.48Å; H67-V96 HydrophobicContact CB-CG1 4.23Å; I92-V96 WeakPolarHBondContact O-CB 3.26Å; I92-V96 VanDerWaalsContact O-CG2 3.25Å; I92-V96 WeakPolarHBondContact O-CG2 3.24Å; I92-V96 PolarHBondContact O-N 2.86Å; D94-V96 VanDerWaalsContact C-N 3.35Å; D94-V96 PolarHBondContact O-N 2.96Å; V96-A100 VanDerWaalsContact O-CB 3.25Å; V96-A100 WeakPolarHBondContact O-CB 3.46Å; V96-A100 PolarHBondContact O-N 3.5Å
97L98.8Very high98.4Very high0 Ų037.4 Ų37.40%019%0.192CC..Hα-helixtrans-68.1-40-178.3-66.9173.9000111.5N93 D94 H101 V108 H152 Y156 Y164N93-L97 WeakPolarHBondContact O-CB 3.2Å; N93-L97 VanDerWaalsContact O-CG 3.24Å; N93-L97 WeakPolarHBondContact O-CG 3.21Å; N93-L97 PolarHBondContact O-N 3.41Å; D94-L97 PolarHBondContact O-N 3.41Å; L97-H101 PolarHBondContact O-N 3.43Å; L97-H101 VanDerWaalsContact O-N 3.07Å; L97-V108 HydrophobicContact CD2-CB 4.42Å; L97-V108 HydrophobicContact CD2-CG1 3.82Å; L97-H152 HydrophobicContact CD1-CB 3.63Å; L97-Y156 HydrophobicContact CB-CE2 4.11Å; L97-Y164 HydrophobicContact CD2-CD2 4.07Å
98Q98.6Very high98.4Very high61 Ų6131.8 Ų31.829%0.28517%0.17SC..Hα-helixtrans-66-47175-179.962.236.200111.9D94 A100 H101 E102 Y156D94-Q98 WeakPolarHBondContact O-CB 3.48Å; D94-Q98 PolarHBondContact O-N 3.46Å; Q98-A100 VanDerWaalsContact C-N 3.3Å; Q98-A100 PolarHBondContact O-N 2.93Å; Q98-H101 WeakPolarHBondContact O-CB 3.47Å; Q98-H101 PolarHBondContact O-N 3.42Å; Q98-H101 VanDerWaalsContact O-N 3.13Å; Q98-E102 HydrophobicContact CG-CG 4.49Å; Q98-E102 WeakPolarHBondContact CG-OE1 3.3Å; Q98-E102 PolarHBondContact NE2-OE1 3.38Å; Q98-E102 WeakPolarHBondContact O-CG 3.29Å; Q98-E102 PolarHBondContact O-N 2.91Å; Q98-Y156 WeakPolarHBondContact CA-OH 3.37Å; Q98-Y156 PolarHBondContact OE1-OH 2.97Å
99A98.8Very high98.4Very high1 Ų129.7 Ų29.71%0.00816%0.159CC..Hα-helixtrans-64.5-36.7178.600000111.9T53 F57 N95 H101 E102 V103T53-A99 HydrophobicContact CG2-CB 4.01Å; F57-A99 HydrophobicContact CB-CB 3.91Å; F57-A99 HydrophobicContact CD1-CB 4.02Å; F57-A99 HydrophobicContact CD2-CB 3.77Å; F57-A99 HydrophobicContact CE2-CB 4.3Å; F57-A99 HydrophobicContact CG-CB 3.61Å; N95-A99 WeakPolarHBondContact O-CB 3.41Å; N95-A99 PolarHBondContact O-N 3Å; A99-H101 VanDerWaalsContact C-N 3.31Å; A99-H101 PolarHBondContact O-N 3.4Å; A99-E102 PolarHBondContact O-N 2.84Å; A99-V103 WeakPolarHBondContact O-CG2 3.49Å; A99-V103 PolarHBondContact O-N 3.25Å
100A98.6Very high98.4Very high0 Ų029.7 Ų29.70%016%0.159CC..Hα-helixtrans-59.8-42.9172.500000111.6F57 V65 V96 Q98 G104 T105 V108F57-A100 HydrophobicContact CD1-CB 4.4Å; F57-A100 VanDerWaalsContact CE1-CA 3.5Å; F57-A100 HydrophobicContact CE1-CB 3.67Å; F57-A100 HydrophobicContact CZ-CB 4.37Å; V65-A100 HydrophobicContact CG2-CB 4.42Å; V96-A100 VanDerWaalsContact O-CB 3.25Å; V96-A100 WeakPolarHBondContact O-CB 3.46Å; V96-A100 PolarHBondContact O-N 3.5Å; Q98-A100 VanDerWaalsContact C-N 3.3Å; Q98-A100 PolarHBondContact O-N 2.93Å; A100-G104 PolarHBondContact O-N 3Å; A100-T105 WeakPolarHBondContact CA-OG1 3.3Å; A100-T105 HydrophobicContact CB-CG2 4.34Å; A100-T105 WeakPolarHBondContact O-CB 3.39Å; A100-T105 PolarHBondContact O-N 3.42Å; A100-T105 PolarHBondContact O-OG1 3.45Å; A100-V108 HydrophobicContact CB-CG2 3.73Å
101H98.3Very high98.4Very high50 Ų5028.3 Ų28.323%0.23115%0.153CC..Hα-helixtrans-62.9-49.3175.9174.685.4000111.7L97 Q98 A99 V103 G104 Y156 H160 Q162 Y164L97-H101 PolarHBondContact O-N 3.43Å; L97-H101 VanDerWaalsContact O-N 3.07Å; Q98-H101 WeakPolarHBondContact O-CB 3.47Å; Q98-H101 PolarHBondContact O-N 3.42Å; Q98-H101 VanDerWaalsContact O-N 3.13Å; A99-H101 VanDerWaalsContact C-N 3.31Å; A99-H101 PolarHBondContact O-N 3.4Å; H101-V103 VanDerWaalsContact C-N 3.29Å; H101-V103 PolarHBondContact O-N 3.33Å; H101-G104 PolarHBondContact O-N 3.34Å; H101-Y156 HydrophobicContact CB-CD1 4.45Å; H101-Y156 HydrophobicContact CB-CE1 3.69Å; H101-Y156 AromaticContact CG-CE1 3.6Å; H101-Y156 AromaticContact ND1-CD1 3.81Å; H101-Y156 AromaticContact ND1-CE1 3.58Å; H101-H160 AromaticContact CE1-CD2 3.73Å; H101-H160 AromaticContact CE1-CG 3.75Å; H101-H160 AromaticContact CE1-ND1 3.95Å; H101-H160 AromaticContact CE1-NE2 3.93Å; H101-Q162 PolarHBondContact ND1-NE2 3.22Å; H101-Q162 VanDerWaalsContact ND1-NE2 3.11Å; H101-Q162 PolarHBondContact ND1-OE1 2.87Å; H101-Y164 VanDerWaalsContact CA-OH 3.24Å; H101-Y164 WeakPolarHBondContact CA-OH 3.44Å; H101-Y164 PolarHBondContact N-OH 3.33Å; H101-Y164 VanDerWaalsContact N-OH 3.1Å
102E98.3Very high98.4Very high93 Ų9323.9 Ų23.944%0.43514%0.136SC..Hα-helixtrans-59-35.2-176.9-73.7171.5175.300113.3Q54 Q98 A99Q54-E102 PolarHBondContact NE2-OE2 3.4Å; Q98-E102 HydrophobicContact CG-CG 4.49Å; Q98-E102 WeakPolarHBondContact CG-OE1 3.3Å; Q98-E102 PolarHBondContact NE2-OE1 3.38Å; Q98-E102 WeakPolarHBondContact O-CG 3.29Å; Q98-E102 PolarHBondContact O-N 2.91Å; A99-E102 PolarHBondContact O-N 2.84Å
103V98.1Very high98.3Very high16 Ų1624.4 Ų24.410%0.09714%0.141CC..THydrogen-bonded Turntrans-88.9-0.9178.2-560000114.2F57 R61 P62 A99 H101F57-V103 HydrophobicContact CB-CG1 4.05Å; F57-V103 HydrophobicContact CD1-CG2 3.95Å; R61-V103 PolarHBondContact NH2-O 3.43Å; P62-V103 HydrophobicContact CG-CG2 4.43Å; A99-V103 WeakPolarHBondContact O-CG2 3.49Å; A99-V103 PolarHBondContact O-N 3.25Å; H101-V103 VanDerWaalsContact C-N 3.29Å; H101-V103 PolarHBondContact O-N 3.33Å
104G97.2Very high98.1Very high48 Ų4824.5 Ų24.550%0.49514%0.142SC..THydrogen-bonded Turntrans77.934.8179.600000114.2A100 H101 V106A100-G104 PolarHBondContact O-N 3Å; H101-G104 PolarHBondContact O-N 3.34Å; G104-V106 PolarHBondContact O-N 2.96Å
105T97.8Very high97.8Very high2 Ų222 Ų221%0.01213%0.129CC..  trans-59.4129.2174.2-58.20000109.9P62 T63 V65 A100 K107 V108P62-T105 PolarHBondContact O-OG1 2.86Å; T63-T105 WeakPolarHBondContact O-CG2 3.18Å; V65-T105 HydrophobicContact CB-CG2 4.43Å; V65-T105 HydrophobicContact CG2-CG2 3.79Å; A100-T105 WeakPolarHBondContact CA-OG1 3.3Å; A100-T105 HydrophobicContact CB-CG2 4.34Å; A100-T105 WeakPolarHBondContact O-CB 3.39Å; A100-T105 PolarHBondContact O-N 3.42Å; A100-T105 PolarHBondContact O-OG1 3.45Å; T105-K107 WeakPolarHBondContact CG2-O 3.46Å; T105-V108 HydrophobicContact CG2-CG2 3.87Å
106V95.8Very high97.8Very high90 Ų9021.2 Ų21.255%0.54513%0.126SC..SBendtrans-75.7-39.1-176.3-178.20000111.5T63 G104T63-V106 WeakPolarHBondContact O-CB 3.42Å; T63-V106 PolarHBondContact O-N 3.36Å; G104-V106 PolarHBondContact O-N 2.96Å
107K98.2Very high97.7Very high17 Ų1721.7 Ų21.77%0.07413%0.127CC..EExtended strand (participates in β ladder)trans-146.5135.2-177.4-175.7165.7178.3-176.60112.1H64 V65 T105 V109 C163 V229 L230 Y233H64-K107 CarbonylContact C-O 3.54Å; H64-K107 WeakPolarHBondContact CA-O 3.37Å; V65-K107 PolarHBondContact N-O 3.35Å; T105-K107 WeakPolarHBondContact CG2-O 3.46Å; K107-V109 HydrophobicContact CG-CG2 4.38Å; K107-C163 WeakPolarHBondContact CA-O 3.39Å; K107-V229 WeakPolarHBondContact CE-O 3.35Å; K107-V229 PolarHBondContact NZ-O 3.14Å; K107-L230 WeakPolarHBondContact CD-O 3.32Å; K107-L230 WeakPolarHBondContact CE-O 3.28Å; K107-L230 PolarHBondContact NZ-O 2.91Å; K107-Y233 WeakPolarHBondContact CE-O 3.4Å; K107-Y233 PolarHBondContact NZ-O 2.88Å
108V98.9Very high97.6Very high0 Ų021.8 Ų21.80%013%0.128CC..EExtended strand (participates in β ladder)trans-121.4129.4172.5-178.50000108.1V65 H67 L97 A100 T105 Y164 T165V65-V108 HydrophobicContact CB-CB 4.45Å; V65-V108 HydrophobicContact CB-CG1 4.14Å; V65-V108 HydrophobicContact CB-CG2 4.08Å; V65-V108 HydrophobicContact CG1-CG1 4.2Å; V65-V108 HydrophobicContact CG2-CG2 4.44Å; V65-V108 CarbonylContact O-C 3.53Å; V65-V108 WeakPolarHBondContact O-CA 3.4Å; H67-V108 HydrophobicContact CB-CG1 4.39Å; L97-V108 HydrophobicContact CD2-CB 4.42Å; L97-V108 HydrophobicContact CD2-CG1 3.82Å; A100-V108 HydrophobicContact CB-CG2 3.73Å; T105-V108 HydrophobicContact CG2-CG2 3.87Å; V108-Y164 HydrophobicContact CB-CD1 3.66Å; V108-Y164 HydrophobicContact CB-CD2 4.4Å; V108-Y164 HydrophobicContact CB-CE1 4.07Å; V108-Y164 HydrophobicContact CB-CG 3.87Å; V108-Y164 HydrophobicContact CG2-CD1 3.53Å; V108-Y164 HydrophobicContact CG2-CD2 4.24Å; V108-Y164 HydrophobicContact CG2-CE1 3.38Å; V108-Y164 HydrophobicContact CG2-CE2 4.08Å; V108-Y164 HydrophobicContact CG2-CG 3.99Å; V108-T165 PolarHBondContact O-N 3.38Å
109V98.9Very high97.4Very high0 Ų021.7 Ų21.70%013%0.13CC..EExtended strand (participates in β ladder)trans-114.1104172.2-175.60000108.1V65 I66 H67 K107 T165 V167 F226 V229 L230V65-V109 PolarHBondContact O-N 2.85Å; I66-V109 WeakPolarHBondContact CA-O 3.21Å; H67-V109 PolarHBondContact N-O 2.92Å; K107-V109 HydrophobicContact CG-CG2 4.38Å; V109-T165 HydrophobicContact CG1-CG2 4.49Å; V109-T165 HydrophobicContact CG2-CG2 3.96Å; V109-V167 HydrophobicContact CG1-CG1 3.86Å; V109-F226 HydrophobicContact CG1-CD1 4.1Å; V109-F226 HydrophobicContact CG1-CE1 3.93Å; V109-V229 HydrophobicContact CG1-CG1 3.64Å; V109-V229 HydrophobicContact CG2-CG1 3.99Å; V109-L230 HydrophobicContact CG2-CD1 3.78Å
110S98.9Very high97.2Very high0 Ų030.7 Ų30.70%017%0.169CC..EExtended strand (participates in β ladder)trans-86.7159.2176.7-65.80000112.3I149 T165 A166 V167S110-I149 VanDerWaalsContact CB-CG2 3.46Å; S110-T165 PolarHBondContact N-O 3.45Å; S110-A166 CarbonylContact O-C 3.54Å; S110-A166 WeakPolarHBondContact O-CA 3.38Å; S110-A166 WeakPolarHBondContact O-CB 3.45Å; S110-V167 PolarHBondContact O-N 2.94Å
111C98.8Very high97Very high16 Ų1632.2 Ų32.211%0.10818%0.178CC..EExtended strand (participates in β ladder)trans-106.9114.3176.8-1650000111.5H67 L68 K146 F226H67-C111 PolarHBondContact O-N 3.45Å; L68-C111 HydrophobicContact CD2-CB 3.98Å; C111-K146 WeakPolarHBondContact O-CE 3.3Å; C111-K146 PolarHBondContact O-NZ 3.3Å; C111-F226 HydrophobicContact CB-CZ 4Å
112L98.5Very high97Very high4 Ų434.7 Ų34.72%0.02120%0.197CC..  trans-91-160172.1-60.6-176.5000110.5I116 K146 I149 A166 V167 I168 P238L112-I116 HydrophobicContact CB-CD1 4.07Å; L112-I116 HydrophobicContact CD1-CD1 3.92Å; L112-I116 HydrophobicContact CG-CD1 4.42Å; L112-K146 HydrophobicContact CD2-CB 4.25Å; L112-K146 WeakPolarHBondContact CD2-O 3.3Å; L112-I149 HydrophobicContact CD2-CB 3.91Å; L112-I149 HydrophobicContact CD2-CD1 4.03Å; L112-I149 HydrophobicContact CD2-CG1 4.49Å; L112-I149 HydrophobicContact CD2-CG2 4.16Å; L112-A166 HydrophobicContact CD1-CB 3.78Å; L112-A166 HydrophobicContact CD2-CB 4.36Å; L112-A166 HydrophobicContact CG-CB 3.67Å; L112-V167 WeakPolarHBondContact CB-O 3.36Å; L112-V167 PolarHBondContact N-O 3Å; L112-I168 HydrophobicContact CB-CB 4.46Å; L112-I168 HydrophobicContact CB-CG1 3.81Å; L112-I168 HydrophobicContact CD1-CD1 4.27Å; L112-I168 HydrophobicContact CD1-CG1 3.78Å; L112-I168 HydrophobicContact CG-CG1 4.32Å; L112-P238 HydrophobicContact CD1-CB 4.21Å; L112-P238 HydrophobicContact CD1-CG 3.98Å
113S96.3Very high96.8Very high26 Ų2634.7 Ų34.718%0.18219%0.193CC..  trans-158.8150.5177177.40000110.3C115 I116S113-C115 PolarHBondContact O-N 3.35Å; S113-C115 VanDerWaalsContact O-N 3.12Å; S113-C115 PolarHBondContact OG-N 3.37Å; S113-C115 PolarHBondContact OG-SG 2.95Å; S113-C115 VanDerWaalsContact OG-SG 3.35Å; S113-I116 WeakPolarHBondContact O-CG1 3.23Å; S113-I116 WeakPolarHBondContact O-CG2 3.08Å; S113-I116 PolarHBondContact O-N 3.39Å; S113-I116 VanDerWaalsContact O-N 3.12Å
114T95.9Very high96.8Very high7 Ų736.2 Ų36.24%0.04320%0.204CC..G310 helixtrans-63.8-13.9173.255.20000114.3I116 F117 I168 T170 A283T114-I116 PolarHBondContact O-N 2.74Å; T114-F117 HydrophobicContact CG2-CE2 4.29Å; T114-F117 WeakPolarHBondContact O-CD2 3.27Å; T114-F117 PolarHBondContact O-N 2.96Å; T114-I168 HydrophobicContact CG2-CG2 4.01Å; T114-T170 HydrophobicContact CG2-CG2 3.64Å; T114-A283 HydrophobicContact CG2-CB 4.18Å
115C92.6Very high96.9Very high15 Ų1534.1 Ų34.110%0.10118%0.181CC..G310 helixtrans-71.1-5.3173.575.70000114S113 N139 Y142S113-C115 PolarHBondContact O-N 3.35Å; S113-C115 VanDerWaalsContact O-N 3.12Å; S113-C115 PolarHBondContact OG-N 3.37Å; S113-C115 PolarHBondContact OG-SG 2.95Å; S113-C115 VanDerWaalsContact OG-SG 3.35Å; C115-N139 WeakPolarHBondContact CB-ND2 3.49Å; C115-N139 PolarHBondContact SG-ND2 2.81Å; C115-N139 VanDerWaalsContact SG-ND2 3.42Å; C115-Y142 VanDerWaalsContact SG-CE1 3.52Å
116I96.8Very high96.9Very high0 Ų036.7 Ų36.70%020%0.195CC..G310 helixtrans-81.6-19.1175.777.7-174.2000112.3L112 S113 T114 I130 K146 R147L112-I116 HydrophobicContact CB-CD1 4.07Å; L112-I116 HydrophobicContact CD1-CD1 3.92Å; L112-I116 HydrophobicContact CG-CD1 4.42Å; S113-I116 WeakPolarHBondContact O-CG1 3.23Å; S113-I116 WeakPolarHBondContact O-CG2 3.08Å; S113-I116 PolarHBondContact O-N 3.39Å; S113-I116 VanDerWaalsContact O-N 3.12Å; T114-I116 PolarHBondContact O-N 2.74Å; I116-I130 HydrophobicContact CD1-CG1 4.34Å; I116-I130 HydrophobicContact CD1-CG2 3.74Å; I116-I130 HydrophobicContact CG1-CG2 4.11Å; I116-K146 HydrophobicContact CG2-CB 3.52Å; I116-K146 HydrophobicContact CG2-CG 4.44Å; I116-R147 HydrophobicContact CB-CG 3.96Å; I116-R147 HydrophobicContact CG1-CG 4.49Å; I116-R147 PolarHBondContact O-NE 2.82Å; I116-R147 PolarHBondContact O-NH2 2.79Å
117F97.8Very high97Very high9 Ų933.1 Ų33.14%0.03917%0.172CC..SBendtrans-67.1158.5-175.8-74.5-74.7000112.1T114 I125 D126 M129 I130 I168 I240T114-F117 HydrophobicContact CG2-CE2 4.29Å; T114-F117 WeakPolarHBondContact O-CD2 3.27Å; T114-F117 PolarHBondContact O-N 2.96Å; F117-I125 HydrophobicContact CB-CD1 3.89Å; F117-I125 HydrophobicContact CD1-CB 4.2Å; F117-I125 HydrophobicContact CD1-CD1 4.36Å; F117-I125 HydrophobicContact CD1-CG1 4.4Å; F117-I125 HydrophobicContact CD2-CD1 3.28Å; F117-I125 HydrophobicContact CD2-CG1 3.89Å; F117-I125 HydrophobicContact CE1-CB 4.41Å; F117-I125 HydrophobicContact CE2-CD1 3.82Å; F117-I125 HydrophobicContact CE2-CG1 3.98Å; F117-I125 HydrophobicContact CG-CB 4.28Å; F117-I125 HydrophobicContact CG-CD1 3.6Å; F117-I125 HydrophobicContact CG-CG1 4.1Å; F117-I125 HydrophobicContact CZ-CG1 4.3Å; F117-D126 WeakPolarHBondContact CE1-O 3.48Å; F117-M129 HydrophobicContact CD1-CB 4.35Å; F117-M129 HydrophobicContact CE1-CB 4.4Å; F117-I130 HydrophobicContact CD1-CG1 4.24Å; F117-I130 HydrophobicContact CE1-CB 4.28Å; F117-I130 HydrophobicContact CE1-CG1 3.51Å; F117-I130 HydrophobicContact CZ-CG1 3.96Å; F117-I168 HydrophobicContact CE2-CD1 4.49Å; F117-I168 HydrophobicContact CE2-CG2 3.94Å; F117-I168 HydrophobicContact CZ-CD1 4.02Å; F117-I240 HydrophobicContact CZ-CD1 4.18Å
118P96.8Very high97.1Very high3 Ų337.4 Ų37.42%0.01920%0.2CC..  trans-57141.7178.3-23.333.4000112.2T121 M129 N132 P134P118-T121 WeakPolarHBondContact O-CG2 3.42Å; P118-M129 VanDerWaalsContact CD-O 3.26Å; P118-M129 WeakPolarHBondContact CD-O 3.42Å; P118-M129 WeakPolarHBondContact CG-O 3.41Å; P118-N132 VanDerWaalsContact CG-C 3.49Å; P118-N132 HydrophobicContact CG-CB 4.28Å; P118-P134 CarbonylContact C-O 3.6Å; P118-P134 VanDerWaalsContact CA-O 3.24Å; P118-P134 WeakPolarHBondContact CA-O 3.32Å
119D93.9Very high97Very high59 Ų5938.4 Ų38.432%0.31621%0.205SC..SBendtrans-64.5-47.1176.8178.941.1000111.6P134 H136 Q278D119-P134 PolarHBondContact N-O 3.47Å; D119-H136 HydrophobicContact CB-CB 4.14Å; D119-H136 IonicContact OD1-CD2 3.82Å; D119-H136 PolarHBondContact OD1-CD2 3.18Å; D119-H136 VanDerWaalsContact OD1-CD2 3.3Å; D119-H136 IonicContact OD2-CD2 3.25Å; D119-Q278 PolarHBondContact O-NE2 3.45Å; D119-Q278 PolarHBondContact OD1-NE2 3.3Å
120K94.1Very high97Very high190 Ų19038.4 Ų38.483%0.82621%0.205SC*.SBendtrans-94.497.3175.2-64.1-178.5-177.7177.10108.9
121T95.9Very high97Very high31 Ų3141.7 Ų41.719%0.1922%0.22CC..  trans-141.1162.2-176-170.60000111.7P118 Y123 I125 M129P118-T121 WeakPolarHBondContact O-CG2 3.42Å; T121-Y123 HydrophobicContact CG2-CE1 4Å; T121-Y123 HydrophobicContact CG2-CE2 4.22Å; T121-I125 HydrophobicContact CG2-CG2 3.61Å; T121-M129 WeakPolarHBondContact OG1-CE 3.48Å
122T96.7Very high97Very high102 Ų10246 Ų4663%0.62624%0.242SC*.  trans-81.4159.2162.653.50000110.3I125 M129T122-I125 WeakPolarHBondContact O-CG2 3.44Å; T122-M129 VanDerWaalsContact OG1-CE 3.27Å; T122-M129 WeakPolarHBondContact OG1-CE 3.44Å
123Y95.9Very high96.9Very high93 Ų9347.2 Ų47.237%0.36526%0.256SS..SBendtrans-122.1149.1177.6-66.3-77.4000110.9T121 I125 K280T121-Y123 HydrophobicContact CG2-CE1 4Å; T121-Y123 HydrophobicContact CG2-CE2 4.22Å; Y123-I125 HydrophobicContact CD1-CG2 4.13Å; Y123-I125 HydrophobicContact CE1-CG2 4.17Å; Y123-K280 HydrophobicContact CE1-CB 4.34Å; Y123-K280 PolarHBondContact OH-O 3.49Å; Y123-K280 VanDerWaalsContact OH-O 3.05Å
124P97.6Very high97Very high49 Ų4949.6 Ų49.632%0.31827%0.27SS..SBendcis-68.3154.2-5.732.8-39.3000112.3E245 T282P124-E245 HydrophobicContact CB-CG 4.19Å; P124-E245 WeakPolarHBondContact CB-OE1 3.36Å; P124-E245 WeakPolarHBondContact CB-OE2 3.37Å; P124-E245 VanDerWaalsContact CG-OE1 3.25Å; P124-E245 WeakPolarHBondContact CG-OE1 3.39Å; P124-E245 WeakPolarHBondContact CG-OE2 3.28Å; P124-T282 WeakPolarHBondContact CA-O 3.43Å
125I98.1Very high97Very high3 Ų349.4 Ų49.42%0.01527%0.269CS..BIsolated β-bridgetrans-82139.5170.865.1-158.1000110F117 T121 T122 Y123 M129 T282 A283 S284F117-I125 HydrophobicContact CB-CD1 3.89Å; F117-I125 HydrophobicContact CD1-CB 4.2Å; F117-I125 HydrophobicContact CD1-CD1 4.36Å; F117-I125 HydrophobicContact CD1-CG1 4.4Å; F117-I125 HydrophobicContact CD2-CD1 3.28Å; F117-I125 HydrophobicContact CD2-CG1 3.89Å; F117-I125 HydrophobicContact CE1-CB 4.41Å; F117-I125 HydrophobicContact CE2-CD1 3.82Å; F117-I125 HydrophobicContact CE2-CG1 3.98Å; F117-I125 HydrophobicContact CG-CB 4.28Å; F117-I125 HydrophobicContact CG-CD1 3.6Å; F117-I125 HydrophobicContact CG-CG1 4.1Å; F117-I125 HydrophobicContact CZ-CG1 4.3Å; T121-I125 HydrophobicContact CG2-CG2 3.61Å; T122-I125 WeakPolarHBondContact O-CG2 3.44Å; Y123-I125 HydrophobicContact CD1-CG2 4.13Å; Y123-I125 HydrophobicContact CE1-CG2 4.17Å; I125-M129 HydrophobicContact CB-SD 4.39Å; I125-T282 WeakPolarHBondContact CG1-O 3.23Å; I125-T282 PolarHBondContact N-O 2.84Å; I125-A283 HydrophobicContact CD1-CB 4.31Å; I125-A283 HydrophobicContact CG1-CB 3.89Å; I125-A283 WeakPolarHBondContact O-CA 3.13Å; I125-S284 PolarHBondContact O-N 2.9Å
126D98.6Very high97.1Very high56 Ų5651.4 Ų51.430%0.29928%0.277SS..  trans-121.4174174.270.143.5000111.5F117 T128 M129F117-D126 WeakPolarHBondContact CE1-O 3.48Å; D126-T128 PolarHBondContact O-N 2.93Å; D126-T128 VanDerWaalsContact O-N 3.15Å; D126-T128 WeakPolarHBondContact OD1-CA 3.41Å; D126-T128 VanDerWaalsContact OD1-CB 3.28Å; D126-T128 WeakPolarHBondContact OD1-CB 3.48Å; D126-T128 PolarHBondContact OD1-N 2.95Å; D126-T128 PolarHBondContact OD1-OG1 3.36Å; D126-M129 WeakPolarHBondContact O-CB 3.34Å; D126-M129 PolarHBondContact O-N 3.27Å; D126-M129 VanDerWaalsContact O-N 3.07Å; D126-M129 WeakPolarHBondContact OD1-CG 3.23Å
127E98.6Very high96.9Very high15 Ų1557.8 Ų57.87%0.0731%0.307CS..G310 helixtrans-64.9-19.2-174.2-56.896.4154.600114M129 I130 I168 P238 I239 I240 K287E127-M129 PolarHBondContact O-N 3.04Å; E127-I130 WeakPolarHBondContact O-CD1 3.49Å; E127-I130 WeakPolarHBondContact O-CG1 3.42Å; E127-I168 HydrophobicContact CG-CD1 4.21Å; E127-P238 WeakPolarHBondContact CG-O 3.19Å; E127-I239 WeakPolarHBondContact OE1-CA 3.37Å; E127-I240 HydrophobicContact CG-CB 4.42Å; E127-I240 HydrophobicContact CG-CD1 3.81Å; E127-I240 HydrophobicContact CG-CG1 3.8Å; E127-I240 PolarHBondContact OE1-N 3.38Å; E127-K287 WeakPolarHBondContact OE1-CB 3.36Å
128T98.6Very high96.5Very high107 Ų10758.1 Ų58.166%0.65631%0.31SS*.G310 helixtrans-76.2-16.1177.276.90000112.3D126D126-T128 PolarHBondContact O-N 2.93Å; D126-T128 VanDerWaalsContact O-N 3.15Å; D126-T128 WeakPolarHBondContact OD1-CA 3.41Å; D126-T128 VanDerWaalsContact OD1-CB 3.28Å; D126-T128 WeakPolarHBondContact OD1-CB 3.48Å; D126-T128 PolarHBondContact OD1-N 2.95Å; D126-T128 PolarHBondContact OD1-OG1 3.36Å
129M98.6Very high96.3Very high21 Ų2158.5 Ų58.510%0.10331%0.312CS..G310 helixtrans-92.3-2.3-171.4-59.6177.376.200114.8F117 P118 T121 T122 I125 D126 E127 H131 N132F117-M129 HydrophobicContact CD1-CB 4.35Å; F117-M129 HydrophobicContact CE1-CB 4.4Å; P118-M129 VanDerWaalsContact CD-O 3.26Å; P118-M129 WeakPolarHBondContact CD-O 3.42Å; P118-M129 WeakPolarHBondContact CG-O 3.41Å; T121-M129 WeakPolarHBondContact OG1-CE 3.48Å; T122-M129 VanDerWaalsContact OG1-CE 3.27Å; T122-M129 WeakPolarHBondContact OG1-CE 3.44Å; I125-M129 HydrophobicContact CB-SD 4.39Å; D126-M129 WeakPolarHBondContact O-CB 3.34Å; D126-M129 PolarHBondContact O-N 3.27Å; D126-M129 VanDerWaalsContact O-N 3.07Å; D126-M129 WeakPolarHBondContact OD1-CG 3.23Å; E127-M129 PolarHBondContact O-N 3.04Å; M129-H131 PolarHBondContact O-N 3.38Å; M129-H131 VanDerWaalsContact O-N 3.08Å; M129-N132 PolarHBondContact O-N 3.16Å; M129-N132 VanDerWaalsContact O-N 3.12Å
130I98.2Very high96.4Very high1 Ų159.8 Ų59.81%0.00532%0.315CS..THydrogen-bonded Turntrans-50.5-40.9-172.6-64.5168.4000112.4I116 F117 E127 R147 I168 P238I116-I130 HydrophobicContact CD1-CG1 4.34Å; I116-I130 HydrophobicContact CD1-CG2 3.74Å; I116-I130 HydrophobicContact CG1-CG2 4.11Å; F117-I130 HydrophobicContact CD1-CG1 4.24Å; F117-I130 HydrophobicContact CE1-CB 4.28Å; F117-I130 HydrophobicContact CE1-CG1 3.51Å; F117-I130 HydrophobicContact CZ-CG1 3.96Å; E127-I130 WeakPolarHBondContact O-CD1 3.49Å; E127-I130 WeakPolarHBondContact O-CG1 3.42Å; I130-R147 HydrophobicContact CG2-CG 4.02Å; I130-R147 PolarHBondContact O-NE 3.02Å; I130-R147 VanDerWaalsContact O-NE 3.12Å; I130-R147 PolarHBondContact O-NH2 3.21Å; I130-I168 HydrophobicContact CD1-CD1 3.76Å; I130-I168 HydrophobicContact CG1-CD1 4.26Å; I130-P238 HydrophobicContact CD1-CB 4.3Å; I130-P238 HydrophobicContact CD1-CG 3.81Å
131H98.6Very high96.6Very high68 Ų6850.8 Ų50.832%0.31528%0.276SS..THydrogen-bonded Turntrans-104.88.7-173.2-58.6-73.8000114.4M129 G133 D150M129-H131 PolarHBondContact O-N 3.38Å; M129-H131 VanDerWaalsContact O-N 3.08Å; H131-G133 PolarHBondContact O-N 3.16Å; H131-D150 IonicContact CD2-OD2 3.17Å; H131-D150 IonicContact CE1-OD2 2.64Å; H131-D150 IonicContact NE2-OD2 2.97Å; H131-D150 PolarHBondContact NE2-OD2 3.38Å
132N98.4Very high96.6Very high108 Ų10850.4 Ų50.458%0.57827%0.271SS*.SBendtrans-82.643.8-172.6-66.8-4.7000113.4P118 M129P118-N132 VanDerWaalsContact CG-C 3.49Å; P118-N132 HydrophobicContact CG-CB 4.28Å; M129-N132 PolarHBondContact O-N 3.16Å; M129-N132 VanDerWaalsContact O-N 3.12Å
133G97.8Very high96.7Very high29 Ų2945.5 Ų45.530%0.29924%0.241SC..SBendtrans129.6170.9-179.500000113.5H131 R147H131-G133 PolarHBondContact O-N 3.16Å; G133-R147 VanDerWaalsContact O-CZ 3.24Å; G133-R147 PolarHBondContact O-NH1 2.78Å; G133-R147 PolarHBondContact O-NH2 3.28Å
134P97.9Very high96.8Very high76 Ų7645 Ų4549%0.49424%0.239SC..PPolyproline II helixtrans-69.6145.9-176.929.1-35.1000112.2P118 D119P118-P134 CarbonylContact C-O 3.6Å; P118-P134 VanDerWaalsContact CA-O 3.24Å; P118-P134 WeakPolarHBondContact CA-O 3.32Å; D119-P134 PolarHBondContact N-O 3.47Å
135P96.2Very high96.9Very high3 Ų342.7 Ų42.72%0.01922%0.224CC..PPolyproline II helixtrans-71.3173.3170.634.2-34.6000110.9F140 A143 Y144P135-F140 HydrophobicContact CG-CB 4.42Å; P135-A143 HydrophobicContact CB-CB 3.55Å; P135-A143 HydrophobicContact CG-CB 3.67Å; P135-Y144 WeakPolarHBondContact CD-OH 3.12Å; P135-Y144 HydrophobicContact CG-CD2 4.03Å; P135-Y144 HydrophobicContact CG-CE1 4.37Å; P135-Y144 HydrophobicContact CG-CE2 3.78Å; P135-Y144 HydrophobicContact CG-CG 4.43Å
136H93.4Very high96.9Very high56 Ų5642.7 Ų42.726%0.25922%0.224SC..PPolyproline II helixtrans-65.5138.7178-172.8-93.9000112.1D119 S138 N139 F140D119-H136 HydrophobicContact CB-CB 4.14Å; D119-H136 IonicContact OD1-CD2 3.82Å; D119-H136 PolarHBondContact OD1-CD2 3.18Å; D119-H136 VanDerWaalsContact OD1-CD2 3.3Å; D119-H136 IonicContact OD2-CD2 3.25Å; H136-S138 PolarHBondContact CE1-OG 3.14Å; H136-S138 VanDerWaalsContact ND1-CB 3.27Å; H136-S138 WeakPolarHBondContact ND1-CB 3.4Å; H136-S138 PolarHBondContact ND1-N 3.4Å; H136-S138 PolarHBondContact ND1-OG 2.81Å; H136-S138 PolarHBondContact O-N 3.45Å; H136-S138 VanDerWaalsContact O-N 3.13Å; H136-N139 PolarHBondContact O-N 3.38Å; H136-N139 PolarHBondContact O-OD1 3.11Å; H136-F140 PolarHBondContact O-N 2.9Å
137E92.5Very high96.9Very high135 Ų13540.4 Ų40.463%0.63121%0.211SC*.G310 helixtrans-62.1-23.1-174.2-68.6-63.9149.200113.9N139 F140E137-N139 PolarHBondContact O-N 3.35Å; E137-N139 VanDerWaalsContact O-N 3.15Å; E137-F140 WeakPolarHBondContact O-CD1 3.29Å
138S89.8Confident96.9Very high15 Ų1542.4 Ų42.411%0.10522%0.221CC..G310 helixtrans-64.7-21-177.967.30000114.2N78 M79 H136N78-S138 CarbonylContact C-O 3.57Å; M79-S138 WeakPolarHBondContact CA-O 3.34Å; M79-S138 WeakPolarHBondContact CG-O 3.18Å; M79-S138 PolarHBondContact N-O 2.85Å; H136-S138 PolarHBondContact CE1-OG 3.14Å; H136-S138 VanDerWaalsContact ND1-CB 3.27Å; H136-S138 WeakPolarHBondContact ND1-CB 3.4Å; H136-S138 PolarHBondContact ND1-N 3.4Å; H136-S138 PolarHBondContact ND1-OG 2.81Å; H136-S138 PolarHBondContact O-N 3.45Å; H136-S138 VanDerWaalsContact O-N 3.13Å
139N92.5Very high96.9Very high12 Ų1237.3 Ų37.36%0.06419%0.19CC..G310 helixtrans-148.929.8-17568-53.5000112.4N78 N82 C115 H136 E137 G141 Y142 A143N78-N139 HydrophobicContact CB-CB 3.64Å; N82-N139 VanDerWaalsContact OD1-C 3.3Å; N82-N139 WeakPolarHBondContact OD1-CA 3.15Å; C115-N139 WeakPolarHBondContact CB-ND2 3.49Å; C115-N139 PolarHBondContact SG-ND2 2.81Å; C115-N139 VanDerWaalsContact SG-ND2 3.42Å; H136-N139 PolarHBondContact O-N 3.38Å; H136-N139 PolarHBondContact O-OD1 3.11Å; E137-N139 PolarHBondContact O-N 3.35Å; E137-N139 VanDerWaalsContact O-N 3.15Å; N139-G141 PolarHBondContact O-N 2.66Å; N139-Y142 PolarHBondContact O-N 2.9Å; N139-A143 WeakPolarHBondContact O-CB 3.28Å; N139-A143 PolarHBondContact O-N 3.27Å
140F95.9Very high96.9Very high86 Ų8636.3 Ų36.338%0.37719%0.185SC..Hα-helixtrans-56.7-36-17474.9-92.3000112.7N82 P135 H136 E137 A143 Y144N82-F140 HydrophobicContact CB-CD1 4.31Å; N82-F140 HydrophobicContact CB-CE1 3.7Å; N82-F140 HydrophobicContact CB-CZ 3.84Å; N82-F140 VanDerWaalsContact CG-CE1 3.46Å; N82-F140 WeakPolarHBondContact OD1-CD1 3.43Å; N82-F140 PolarHBondContact OD1-N 2.8Å; N82-F140 VanDerWaalsContact OD1-N 3.14Å; P135-F140 HydrophobicContact CG-CB 4.42Å; H136-F140 PolarHBondContact O-N 2.9Å; E137-F140 WeakPolarHBondContact O-CD1 3.29Å; F140-A143 PolarHBondContact O-N 3.45Å; F140-Y144 HydrophobicContact CB-CD2 4.2Å; F140-Y144 HydrophobicContact CB-CE2 4.27Å; F140-Y144 HydrophobicContact CD2-CD2 4.26Å; F140-Y144 WeakPolarHBondContact O-CB 3.29Å; F140-Y144 VanDerWaalsContact O-CD2 3.25Å; F140-Y144 WeakPolarHBondContact O-CD2 3.36Å; F140-Y144 PolarHBondContact O-N 3.22Å
141G97.9Very high97Very high0 Ų039.2 Ų39.20%020%0.203CC..Hα-helixtrans-62.9-46.2179.900000112.5N82 W86 N139 A145N82-G141 PolarHBondContact OD1-N 3.3Å; W86-G141 WeakPolarHBondContact CA-O 3.43Å; N139-G141 PolarHBondContact O-N 2.66Å; G141-A145 WeakPolarHBondContact O-CB 3.33Å; G141-A145 PolarHBondContact O-N 3.34Å
142Y97.9Very high97Very high23 Ų2338.6 Ų38.69%0.0920%0.2CC..Hα-helixtrans-66.1-45.2173178.2-97.4000111.7N78 F85 C115 N139 A145 K146N78-Y142 WeakPolarHBondContact OD1-CB 3.41Å; F85-Y142 AromaticContact CD1-CD2 3.89Å; F85-Y142 HydrophobicContact CD1-CD2 3.89Å; F85-Y142 HydrophobicContact CD1-CG 4.39Å; F85-Y142 HydrophobicContact CE1-CD2 4.47Å; C115-Y142 VanDerWaalsContact SG-CE1 3.52Å; N139-Y142 PolarHBondContact O-N 2.9Å; Y142-A145 PolarHBondContact O-N 2.71Å; Y142-K146 HydrophobicContact CD1-CG 4.35Å; Y142-K146 HydrophobicContact CE1-CG 3.87Å; Y142-K146 HydrophobicContact CE2-CG 4.13Å; Y142-K146 PolarHBondContact O-N 2.95Å; Y142-K146 VanDerWaalsContact OH-CE 3.28Å; Y142-K146 WeakPolarHBondContact OH-CE 3.39Å
143A97.6Very high97Very high0 Ų033.4 Ų33.40%017%0.172CC..Hα-helixtrans-61.1-49.3-17600000112P135 N139 F140 K146 R147P135-A143 HydrophobicContact CB-CB 3.55Å; P135-A143 HydrophobicContact CG-CB 3.67Å; N139-A143 WeakPolarHBondContact O-CB 3.28Å; N139-A143 PolarHBondContact O-N 3.27Å; F140-A143 PolarHBondContact O-N 3.45Å; A143-K146 PolarHBondContact O-N 2.75Å; A143-R147 WeakPolarHBondContact O-CG 3.31Å; A143-R147 PolarHBondContact O-N 3.29Å
144Y98.8Very high97Very high83 Ų8336.7 Ų36.733%0.32518%0.175SC..Hα-helixtrans-65.4-40.8176.3-77.9-64.7000111.9P135 F140 K146 R147 M148P135-Y144 WeakPolarHBondContact CD-OH 3.12Å; P135-Y144 HydrophobicContact CG-CD2 4.03Å; P135-Y144 HydrophobicContact CG-CE1 4.37Å; P135-Y144 HydrophobicContact CG-CE2 3.78Å; P135-Y144 HydrophobicContact CG-CG 4.43Å; F140-Y144 HydrophobicContact CB-CD2 4.2Å; F140-Y144 HydrophobicContact CB-CE2 4.27Å; F140-Y144 HydrophobicContact CD2-CD2 4.26Å; F140-Y144 WeakPolarHBondContact O-CB 3.29Å; F140-Y144 VanDerWaalsContact O-CD2 3.25Å; F140-Y144 WeakPolarHBondContact O-CD2 3.36Å; F140-Y144 PolarHBondContact O-N 3.22Å; Y144-K146 PolarHBondContact O-N 2.84Å; Y144-R147 WeakPolarHBondContact O-CB 3.32Å; Y144-R147 PolarHBondContact O-N 3.05Å; Y144-R147 VanDerWaalsContact O-N 3.08Å; Y144-M148 WeakPolarHBondContact O-CG 3.44Å; Y144-M148 PolarHBondContact O-N 3.35Å
145A98.6Very high97Very high0 Ų035.4 Ų35.40%017%0.171CC..Hα-helixtrans-59.5-37.2177.700000112.2W86 N89 I90 N93 G141 Y142W86-A145 HydrophobicContact CE3-CB 3.94Å; W86-A145 HydrophobicContact CZ3-CB 4.33Å; N89-A145 HydrophobicContact CB-CB 3.69Å; I90-A145 HydrophobicContact CD1-CB 4.13Å; I90-A145 HydrophobicContact CG1-CB 4.08Å; N93-A145 PolarHBondContact ND2-O 2.9Å; G141-A145 WeakPolarHBondContact O-CB 3.33Å; G141-A145 PolarHBondContact O-N 3.34Å; Y142-A145 PolarHBondContact O-N 2.71Å
146K98.7Very high97.1Very high2 Ų236.5 Ų36.51%0.00918%0.175CC..Hα-helixtrans-71.8-40.1172.5-72.7-63.1-171.8176.80112.7C111 L112 I116 Y142 A143 Y144 M148 I149C111-K146 WeakPolarHBondContact O-CE 3.3Å; C111-K146 PolarHBondContact O-NZ 3.3Å; L112-K146 HydrophobicContact CD2-CB 4.25Å; L112-K146 WeakPolarHBondContact CD2-O 3.3Å; I116-K146 HydrophobicContact CG2-CB 3.52Å; I116-K146 HydrophobicContact CG2-CG 4.44Å; Y142-K146 HydrophobicContact CD1-CG 4.35Å; Y142-K146 HydrophobicContact CE1-CG 3.87Å; Y142-K146 HydrophobicContact CE2-CG 4.13Å; Y142-K146 PolarHBondContact O-N 2.95Å; Y142-K146 VanDerWaalsContact OH-CE 3.28Å; Y142-K146 WeakPolarHBondContact OH-CE 3.39Å; A143-K146 PolarHBondContact O-N 2.75Å; Y144-K146 PolarHBondContact O-N 2.84Å; K146-M148 PolarHBondContact O-N 3.14Å; K146-I149 HydrophobicContact CD-CD1 3.69Å; K146-I149 WeakPolarHBondContact O-CB 3.48Å; K146-I149 PolarHBondContact O-N 3.19Å; K146-I149 VanDerWaalsContact O-N 3.09Å
147R98.8Very high97.3Very high8 Ų840 Ų403%0.0319%0.187CC..Hα-helixtrans-56.8-35172.9-73.6-170.8-175.2-172.4-1.3112.5I116 I130 G133 A143 Y144 I149 D150 V151I116-R147 HydrophobicContact CB-CG 3.96Å; I116-R147 HydrophobicContact CG1-CG 4.49Å; I116-R147 PolarHBondContact O-NE 2.82Å; I116-R147 PolarHBondContact O-NH2 2.79Å; I130-R147 HydrophobicContact CG2-CG 4.02Å; I130-R147 PolarHBondContact O-NE 3.02Å; I130-R147 VanDerWaalsContact O-NE 3.12Å; I130-R147 PolarHBondContact O-NH2 3.21Å; G133-R147 VanDerWaalsContact O-CZ 3.24Å; G133-R147 PolarHBondContact O-NH1 2.78Å; G133-R147 PolarHBondContact O-NH2 3.28Å; A143-R147 WeakPolarHBondContact O-CG 3.31Å; A143-R147 PolarHBondContact O-N 3.29Å; Y144-R147 WeakPolarHBondContact O-CB 3.32Å; Y144-R147 PolarHBondContact O-N 3.05Å; Y144-R147 VanDerWaalsContact O-N 3.08Å; R147-I149 PolarHBondContact O-N 3.21Å; R147-D150 PolarHBondContact O-N 3.44Å; R147-D150 VanDerWaalsContact O-N 3.16Å; R147-V151 PolarHBondContact O-N 2.85Å
148M98.8Very high97.6Very high57 Ų5741.9 Ų41.928%0.28120%0.196SC..Hα-helixtrans-68-19.9179.7-65.1-54.891.200113.4W86 I90 Y144 K146 V151 H152W86-M148 HydrophobicContact CH2-CG 4.25Å; W86-M148 HydrophobicContact CZ3-CG 4.38Å; I90-M148 HydrophobicContact CD1-CB 4.04Å; I90-M148 HydrophobicContact CD1-CG 4.09Å; Y144-M148 WeakPolarHBondContact O-CG 3.44Å; Y144-M148 PolarHBondContact O-N 3.35Å; K146-M148 PolarHBondContact O-N 3.14Å; M148-V151 HydrophobicContact CE-CG2 3.72Å; M148-V151 PolarHBondContact O-N 3.31Å; M148-V151 HydrophobicContact SD-CG2 4.27Å; M148-H152 WeakPolarHBondContact O-CB 3.33Å; M148-H152 PolarHBondContact O-CD2 3Å; M148-H152 PolarHBondContact O-N 3.34Å
149I98.8Very high98Very high1 Ų148.6 Ų48.61%0.00523%0.225CC..Hα-helixtrans-62.2-46.5169.7-63.7173.6000110.3N93 S110 L112 K146 R147 V151 H152 N153N93-I149 HydrophobicContact CB-CD1 4.47Å; N93-I149 HydrophobicContact CB-CG1 4.01Å; N93-I149 WeakPolarHBondContact ND2-CG1 3.35Å; S110-I149 VanDerWaalsContact CB-CG2 3.46Å; L112-I149 HydrophobicContact CD2-CB 3.91Å; L112-I149 HydrophobicContact CD2-CD1 4.03Å; L112-I149 HydrophobicContact CD2-CG1 4.49Å; L112-I149 HydrophobicContact CD2-CG2 4.16Å; K146-I149 HydrophobicContact CD-CD1 3.69Å; K146-I149 WeakPolarHBondContact O-CB 3.48Å; K146-I149 PolarHBondContact O-N 3.19Å; K146-I149 VanDerWaalsContact O-N 3.09Å; R147-I149 PolarHBondContact O-N 3.21Å; I149-V151 VanDerWaalsContact C-N 3.3Å; I149-V151 PolarHBondContact O-N 3.09Å; I149-H152 WeakPolarHBondContact O-CB 3.46Å; I149-H152 PolarHBondContact O-N 3.48Å; I149-N153 WeakPolarHBondContact O-CB 3.28Å; I149-N153 PolarHBondContact O-N 2.85Å; I149-N153 PolarHBondContact O-OD1 3.49Å
150D98.8Very high98.1Very high0 Ų052.3 Ų52.30%024%0.242CC..Hα-helixtrans-64.3-37.2178.6170.762.8000111.4H131 R147 N153 R154 P238H131-D150 IonicContact CD2-OD2 3.17Å; H131-D150 IonicContact CE1-OD2 2.64Å; H131-D150 IonicContact NE2-OD2 2.97Å; H131-D150 PolarHBondContact NE2-OD2 3.38Å; R147-D150 PolarHBondContact O-N 3.44Å; R147-D150 VanDerWaalsContact O-N 3.16Å; D150-N153 PolarHBondContact O-N 3.41Å; D150-R154 VanDerWaalsContact CG-NE 3.3Å; D150-R154 VanDerWaalsContact O-CG 3.28Å; D150-R154 WeakPolarHBondContact O-CG 3.39Å; D150-R154 PolarHBondContact O-N 2.89Å; D150-R154 VanDerWaalsContact O-N 3.08Å; D150-R154 IonicContact OD1-CZ 3.78Å; D150-R154 IonicContact OD1-NE 2.72Å; D150-R154 PolarHBondContact OD1-NE 3.4Å; D150-R154 IonicContact OD1-NH2 3.28Å; D150-R154 PolarHBondContact OD1-NH2 3.13Å; D150-R154 IonicContact OD2-CZ 2.65Å; D150-R154 IonicContact OD2-NE 2.86Å; D150-R154 PolarHBondContact OD2-NE 3.32Å; D150-R154 IonicContact OD2-NH2 2.7Å; D150-R154 PolarHBondContact OD2-NH2 3.16Å; D150-P238 HydrophobicContact CB-CG 4.42Å; D150-P238 WeakPolarHBondContact OD1-CD 3.33Å; D150-P238 WeakPolarHBondContact OD1-CG 3.34Å
151V98.8Very high98Very high62 Ų6250.8 Ų50.838%0.37625%0.251SS..Hα-helixtrans-63-46.1171.8179.40000111.4R147 M148 I149 N153 R154 A155R147-V151 PolarHBondContact O-N 2.85Å; M148-V151 HydrophobicContact CE-CG2 3.72Å; M148-V151 PolarHBondContact O-N 3.31Å; M148-V151 HydrophobicContact SD-CG2 4.27Å; I149-V151 VanDerWaalsContact C-N 3.3Å; I149-V151 PolarHBondContact O-N 3.09Å; V151-N153 PolarHBondContact O-N 3.44Å; V151-R154 PolarHBondContact O-N 3.32Å; V151-A155 WeakPolarHBondContact O-CB 3.34Å; V151-A155 PolarHBondContact O-N 2.96Å
152H98.2Very high97.5Very high54 Ų5452.2 Ų52.225%0.2526%0.257CS..Hα-helixtrans-58.8-47.3176-81-156.8000111.4D94 L97 M148 I149 R154 A155 Y156D94-H152 IonicContact OD1-CE1 3.7Å; D94-H152 PolarHBondContact OD1-CE1 3.45Å; L97-H152 HydrophobicContact CD1-CB 3.63Å; M148-H152 WeakPolarHBondContact O-CB 3.33Å; M148-H152 PolarHBondContact O-CD2 3Å; M148-H152 PolarHBondContact O-N 3.34Å; I149-H152 WeakPolarHBondContact O-CB 3.46Å; I149-H152 PolarHBondContact O-N 3.48Å; H152-R154 PolarHBondContact O-N 2.98Å; H152-A155 PolarHBondContact O-N 3.08Å; H152-Y156 VanDerWaalsContact O-CD2 3.29Å; H152-Y156 WeakPolarHBondContact O-CD2 3.4Å; H152-Y156 PolarHBondContact O-N 3.21Å
153N98.6Very high97.1Very high0 Ų052.7 Ų52.70%026%0.264CS..Hα-helixtrans-56.1-49179.3-73.3-4.2000111.7I149 D150 V151 A155 Y156 Y157 Y164 T165 V236I149-N153 WeakPolarHBondContact O-CB 3.28Å; I149-N153 PolarHBondContact O-N 2.85Å; I149-N153 PolarHBondContact O-OD1 3.49Å; D150-N153 PolarHBondContact O-N 3.41Å; V151-N153 PolarHBondContact O-N 3.44Å; N153-A155 PolarHBondContact O-N 3.02Å; N153-Y156 PolarHBondContact O-N 2.94Å; N153-Y157 WeakPolarHBondContact O-CB 3.36Å; N153-Y157 PolarHBondContact O-N 3.4Å; N153-Y164 WeakPolarHBondContact CB-O 3.41Å; N153-Y164 WeakPolarHBondContact OD1-CB 3.46Å; N153-T165 WeakPolarHBondContact ND2-CA 3.4Å; N153-T165 PolarHBondContact ND2-O 2.78Å; N153-T165 VanDerWaalsContact ND2-O 3.14Å; N153-V236 HydrophobicContact CB-CG1 4.42Å
154R98.6Very high97.2Very high97 Ų9752.7 Ų52.737%0.36626%0.264SS..Hα-helixtrans-63-41.1177.4-66.5171.9-163.7-1451.3112D150 V151 H152 Y157 Q158 V236 D237D150-R154 VanDerWaalsContact CG-NE 3.3Å; D150-R154 VanDerWaalsContact O-CG 3.28Å; D150-R154 WeakPolarHBondContact O-CG 3.39Å; D150-R154 PolarHBondContact O-N 2.89Å; D150-R154 VanDerWaalsContact O-N 3.08Å; D150-R154 IonicContact OD1-CZ 3.78Å; D150-R154 IonicContact OD1-NE 2.72Å; D150-R154 PolarHBondContact OD1-NE 3.4Å; D150-R154 IonicContact OD1-NH2 3.28Å; D150-R154 PolarHBondContact OD1-NH2 3.13Å; D150-R154 IonicContact OD2-CZ 2.65Å; D150-R154 IonicContact OD2-NE 2.86Å; D150-R154 PolarHBondContact OD2-NE 3.32Å; D150-R154 IonicContact OD2-NH2 2.7Å; D150-R154 PolarHBondContact OD2-NH2 3.16Å; V151-R154 PolarHBondContact O-N 3.32Å; H152-R154 PolarHBondContact O-N 2.98Å; R154-Y157 PolarHBondContact O-N 2.93Å; R154-Q158 WeakPolarHBondContact O-CB 3.46Å; R154-Q158 PolarHBondContact O-N 3.2Å; R154-V236 HydrophobicContact CG-CG1 4.26Å; R154-D237 IonicContact NH2-OD1 3.52Å
155A98.5Very high97.2Very high49 Ų4948.7 Ų48.741%0.40525%0.248SC..Hα-helixtrans-65.4-45.5178.500000112.2V151 H152 N153 Y157 Q158 Q159V151-A155 WeakPolarHBondContact O-CB 3.34Å; V151-A155 PolarHBondContact O-N 2.96Å; H152-A155 PolarHBondContact O-N 3.08Å; N153-A155 PolarHBondContact O-N 3.02Å; A155-Y157 VanDerWaalsContact C-N 3.33Å; A155-Y157 PolarHBondContact O-N 3.46Å; A155-Q158 PolarHBondContact O-N 2.95Å; A155-Q159 WeakPolarHBondContact O-CB 3.41Å; A155-Q159 PolarHBondContact O-N 3.48Å
156Y98.2Very high97.2Very high27 Ų2748.7 Ų48.711%0.10625%0.248CC..Hα-helixtrans-60.5-42.2174.5-88-67.8000112L97 Q98 H101 H152 N153 H160 G161 Y164L97-Y156 HydrophobicContact CB-CE2 4.11Å; Q98-Y156 WeakPolarHBondContact CA-OH 3.37Å; Q98-Y156 PolarHBondContact OE1-OH 2.97Å; H101-Y156 HydrophobicContact CB-CD1 4.45Å; H101-Y156 HydrophobicContact CB-CE1 3.69Å; H101-Y156 AromaticContact CG-CE1 3.6Å; H101-Y156 AromaticContact ND1-CD1 3.81Å; H101-Y156 AromaticContact ND1-CE1 3.58Å; H152-Y156 VanDerWaalsContact O-CD2 3.29Å; H152-Y156 WeakPolarHBondContact O-CD2 3.4Å; H152-Y156 PolarHBondContact O-N 3.21Å; N153-Y156 PolarHBondContact O-N 2.94Å; Y156-H160 AromaticContact CD1-CD2 3.96Å; Y156-H160 WeakPolarHBondContact O-CA 3.37Å; Y156-H160 WeakPolarHBondContact O-CB 3.45Å; Y156-H160 PolarHBondContact O-N 2.93Å; Y156-G161 PolarHBondContact O-N 3.19Å; Y156-Y164 HydrophobicContact CD1-CE2 4.33Å; Y156-Y164 AromaticContact CD2-CD2 3.86Å; Y156-Y164 HydrophobicContact CD2-CD2 3.86Å; Y156-Y164 HydrophobicContact CD2-CE2 4.05Å; Y156-Y164 HydrophobicContact CE2-CE2 4.39Å; Y156-Y164 AromaticContact CG-CD2 3.97Å; Y156-Y164 HydrophobicContact CG-CD2 3.97Å; Y156-Y164 HydrophobicContact CG-CE2 4.03Å
157Y97.6Very high97.2Very high130 Ų13048.6 Ų48.651%0.5125%0.248SC..Hα-helixtrans-64-47.5175.8-178.4-106.5000112.1N153 R154 A155 Q159 G161 Q162 V236N153-Y157 WeakPolarHBondContact O-CB 3.36Å; N153-Y157 PolarHBondContact O-N 3.4Å; R154-Y157 PolarHBondContact O-N 2.93Å; A155-Y157 VanDerWaalsContact C-N 3.33Å; A155-Y157 PolarHBondContact O-N 3.46Å; Y157-Q159 VanDerWaalsContact C-N 3.35Å; Y157-Q159 PolarHBondContact O-N 3.46Å; Y157-G161 WeakPolarHBondContact O-CA 3.43Å; Y157-G161 PolarHBondContact O-N 2.87Å; Y157-Q162 WeakPolarHBondContact CA-O 3.42Å; Y157-V236 HydrophobicContact CD1-CG2 3.89Å; Y157-V236 HydrophobicContact CD2-CG2 3.37Å; Y157-V236 HydrophobicContact CE1-CG2 4.29Å; Y157-V236 HydrophobicContact CE2-CG2 3.83Å; Y157-V236 HydrophobicContact CG-CB 4.45Å; Y157-V236 HydrophobicContact CG-CG1 4.42Å; Y157-V236 HydrophobicContact CG-CG2 3.39Å
158Q97.9Very high97.2Very high173 Ų17348.2 Ų48.281%0.80825%0.246SC*.Hα-helixtrans-62.1-40.7-179.4-178.1179.8-10.100112.5R154 A155R154-Q158 WeakPolarHBondContact O-CB 3.46Å; R154-Q158 PolarHBondContact O-N 3.2Å; A155-Q158 PolarHBondContact O-N 2.95Å
159Q97.9Very high97.2Very high156 Ų15645.8 Ų45.873%0.72924%0.235SC*.Hα-helixtrans-88.2-33.7-174.5-169.7170.3-62.500113.4A155 Y157A155-Q159 WeakPolarHBondContact O-CB 3.41Å; A155-Q159 PolarHBondContact O-N 3.48Å; Y157-Q159 VanDerWaalsContact C-N 3.35Å; Y157-Q159 PolarHBondContact O-N 3.46Å
160H95.9Very high97.1Very high90 Ų9046.1 Ų46.142%0.41724%0.237SC..Hα-helixtrans-127.2-4-169.9-60-67.9000114.5H101 Y156 Q162H101-H160 AromaticContact CE1-CD2 3.73Å; H101-H160 AromaticContact CE1-CG 3.75Å; H101-H160 AromaticContact CE1-ND1 3.95Å; H101-H160 AromaticContact CE1-NE2 3.93Å; Y156-H160 AromaticContact CD1-CD2 3.96Å; Y156-H160 WeakPolarHBondContact O-CA 3.37Å; Y156-H160 WeakPolarHBondContact O-CB 3.45Å; Y156-H160 PolarHBondContact O-N 2.93Å; H160-Q162 HydrophobicContact CB-CG 4.19Å; H160-Q162 PolarHBondContact O-N 3.45Å
161G93Very high97Very high54 Ų5448 Ų4856%0.55725%0.247SC*.  trans67.214-177.200000114.3Y156 Y157Y156-G161 PolarHBondContact O-N 3.19Å; Y157-G161 WeakPolarHBondContact O-CA 3.43Å; Y157-G161 PolarHBondContact O-N 2.87Å
162Q86.8Confident97Very high30 Ų3046.3 Ų46.314%0.1424%0.236CC..  trans-76.2131.6-179.5-74.7-179.5-35.500111.3H101 Y157 H160 Y164H101-Q162 PolarHBondContact ND1-NE2 3.22Å; H101-Q162 VanDerWaalsContact ND1-NE2 3.11Å; H101-Q162 PolarHBondContact ND1-OE1 2.87Å; Y157-Q162 WeakPolarHBondContact CA-O 3.42Å; H160-Q162 HydrophobicContact CB-CG 4.19Å; H160-Q162 PolarHBondContact O-N 3.45Å; Q162-Y164 VanDerWaalsContact C-N 3.32Å; Q162-Y164 HydrophobicContact CB-CD1 4.22Å; Q162-Y164 HydrophobicContact CB-CE1 4.03Å; Q162-Y164 PolarHBondContact O-N 3.37Å; Q162-Y164 PolarHBondContact OE1-OH 2.99Å
163C90.7Very high97Very high33 Ų3343.9 Ų43.922%0.22323%0.225CC..EExtended strand (participates in β ladder)trans-84.375.8179.2-171.90000110.2K107K107-C163 WeakPolarHBondContact CA-O 3.39Å
164Y98.2Very high97Very high0 Ų043.9 Ų43.90%023%0.225CC..EExtended strand (participates in β ladder)trans-95.3130.8168-64.6-2.2000108.1L97 H101 V108 N153 Y156 Q162L97-Y164 HydrophobicContact CD2-CD2 4.07Å; H101-Y164 VanDerWaalsContact CA-OH 3.24Å; H101-Y164 WeakPolarHBondContact CA-OH 3.44Å; H101-Y164 PolarHBondContact N-OH 3.33Å; H101-Y164 VanDerWaalsContact N-OH 3.1Å; V108-Y164 HydrophobicContact CB-CD1 3.66Å; V108-Y164 HydrophobicContact CB-CD2 4.4Å; V108-Y164 HydrophobicContact CB-CE1 4.07Å; V108-Y164 HydrophobicContact CB-CG 3.87Å; V108-Y164 HydrophobicContact CG2-CD1 3.53Å; V108-Y164 HydrophobicContact CG2-CD2 4.24Å; V108-Y164 HydrophobicContact CG2-CE1 3.38Å; V108-Y164 HydrophobicContact CG2-CE2 4.08Å; V108-Y164 HydrophobicContact CG2-CG 3.99Å; N153-Y164 WeakPolarHBondContact CB-O 3.41Å; N153-Y164 WeakPolarHBondContact OD1-CB 3.46Å; Y156-Y164 HydrophobicContact CD1-CE2 4.33Å; Y156-Y164 AromaticContact CD2-CD2 3.86Å; Y156-Y164 HydrophobicContact CD2-CD2 3.86Å; Y156-Y164 HydrophobicContact CD2-CE2 4.05Å; Y156-Y164 HydrophobicContact CE2-CE2 4.39Å; Y156-Y164 AromaticContact CG-CD2 3.97Å; Y156-Y164 HydrophobicContact CG-CD2 3.97Å; Y156-Y164 HydrophobicContact CG-CE2 4.03Å; Q162-Y164 VanDerWaalsContact C-N 3.32Å; Q162-Y164 HydrophobicContact CB-CD1 4.22Å; Q162-Y164 HydrophobicContact CB-CE1 4.03Å; Q162-Y164 PolarHBondContact O-N 3.37Å; Q162-Y164 PolarHBondContact OE1-OH 2.99Å
165T98.8Very high97Very high0 Ų040.4 Ų40.40%022%0.215CC..EExtended strand (participates in β ladder)trans-138.9178.9-175.4-169.40000109.9V108 V109 S110 N153 V229 Y233 E235 V236 D237V108-T165 PolarHBondContact O-N 3.38Å; V109-T165 HydrophobicContact CG1-CG2 4.49Å; V109-T165 HydrophobicContact CG2-CG2 3.96Å; S110-T165 PolarHBondContact N-O 3.45Å; N153-T165 WeakPolarHBondContact ND2-CA 3.4Å; N153-T165 PolarHBondContact ND2-O 2.78Å; N153-T165 VanDerWaalsContact ND2-O 3.14Å; T165-V229 HydrophobicContact CG2-CG1 4.5Å; T165-Y233 HydrophobicContact CG2-CD1 4.4Å; T165-E235 WeakPolarHBondContact CB-O 3.37Å; T165-E235 PolarHBondContact OG1-O 3.17Å; T165-V236 PolarHBondContact OG1-O 2.79Å; T165-D237 PolarHBondContact OG1-O 3.44Å
166A98.9Very high96.9Very high0 Ų040.8 Ų40.80%021%0.208CC..EExtended strand (participates in β ladder)trans-147.3157.1175.900000112.8S110 L112 P238 I239S110-A166 CarbonylContact O-C 3.54Å; S110-A166 WeakPolarHBondContact O-CA 3.38Å; S110-A166 WeakPolarHBondContact O-CB 3.45Å; L112-A166 HydrophobicContact CD1-CB 3.78Å; L112-A166 HydrophobicContact CD2-CB 4.36Å; L112-A166 HydrophobicContact CG-CB 3.67Å; A166-P238 WeakPolarHBondContact O-CA 3.42Å; A166-P238 WeakPolarHBondContact O-CB 3.35Å; A166-I239 PolarHBondContact O-N 2.89Å; A166-I239 VanDerWaalsContact O-N 3.13Å
167V98.9Very high96.9Very high0 Ų039.9 Ų39.90%021%0.205CC..EExtended strand (participates in β ladder)trans-109148.4170.9-58.40000110.2V109 S110 L112 P169 F226 V229 I239 L241V109-V167 HydrophobicContact CG1-CG1 3.86Å; S110-V167 PolarHBondContact O-N 2.94Å; L112-V167 WeakPolarHBondContact CB-O 3.36Å; L112-V167 PolarHBondContact N-O 3Å; V167-P169 WeakPolarHBondContact O-CD 3.34Å; V167-F226 HydrophobicContact CG2-CD1 4.25Å; V167-F226 HydrophobicContact CG2-CD2 4.41Å; V167-F226 HydrophobicContact CG2-CE1 3.44Å; V167-F226 VanDerWaalsContact CG2-CE1 3.44Å; V167-F226 HydrophobicContact CG2-CE2 3.63Å; V167-F226 HydrophobicContact CG2-CZ 3.09Å; V167-V229 HydrophobicContact CG1-CB 4.1Å; V167-V229 HydrophobicContact CG1-CG1 3.72Å; V167-V229 HydrophobicContact CG1-CG2 3.78Å; V167-I239 CarbonylContact C-O 3.6Å; V167-I239 WeakPolarHBondContact CA-O 3.42Å; V167-I239 HydrophobicContact CG1-CG2 3.99Å; V167-L241 HydrophobicContact CB-CD1 3.62Å; V167-L241 HydrophobicContact CB-CG 3.93Å; V167-L241 HydrophobicContact CG1-CD1 3.62Å; V167-L241 HydrophobicContact CG1-CG 4.14Å; V167-L241 HydrophobicContact CG2-CD1 4.07Å
168I98.9Very high96.7Very high0 Ų035.1 Ų35.10%019%0.189CC..EExtended strand (participates in β ladder)trans-117.786.6178.2-52.9163.7000108.2L112 T114 F117 E127 I130 P238 I239 I240 L241L112-I168 HydrophobicContact CB-CB 4.46Å; L112-I168 HydrophobicContact CB-CG1 3.81Å; L112-I168 HydrophobicContact CD1-CD1 4.27Å; L112-I168 HydrophobicContact CD1-CG1 3.78Å; L112-I168 HydrophobicContact CG-CG1 4.32Å; T114-I168 HydrophobicContact CG2-CG2 4.01Å; F117-I168 HydrophobicContact CE2-CD1 4.49Å; F117-I168 HydrophobicContact CE2-CG2 3.94Å; F117-I168 HydrophobicContact CZ-CD1 4.02Å; E127-I168 HydrophobicContact CG-CD1 4.21Å; I130-I168 HydrophobicContact CD1-CD1 3.76Å; I130-I168 HydrophobicContact CG1-CD1 4.26Å; I168-P238 HydrophobicContact CD1-CB 3.65Å; I168-P238 HydrophobicContact CD1-CG 4.49Å; I168-P238 HydrophobicContact CG1-CB 3.99Å; I168-I239 PolarHBondContact N-O 3.44Å; I168-I240 HydrophobicContact CB-CG1 3.96Å; I168-I240 HydrophobicContact CD1-CG1 4.15Å; I168-I240 HydrophobicContact CG2-CG1 4.3Å; I168-I240 WeakPolarHBondContact O-CA 3.35Å; I168-L241 PolarHBondContact O-N 2.98Å
169P98.5Very high96.7Very high6 Ų626.9 Ų26.94%0.03915%0.15CC..EExtended strand (participates in β ladder)trans-71.5151.817230.1-33.9000111.2V167 V172 I217 L222 L241V167-P169 WeakPolarHBondContact O-CD 3.34Å; P169-V172 HydrophobicContact CB-CG2 3.8Å; P169-V172 HydrophobicContact CG-CG2 4.21Å; P169-I217 HydrophobicContact CB-CG2 4.45Å; P169-L222 HydrophobicContact CB-CD1 3.97Å; P169-L222 HydrophobicContact CB-CD2 3.79Å; P169-L222 HydrophobicContact CG-CD2 4.31Å; P169-L241 WeakPolarHBondContact CA-O 3.46Å
170T97.2Very high96.5Very high8 Ų820.3 Ų20.35%0.04912%0.122CC..  trans-79.7-145.516747.70000110.7T114 V172 Q215 S242 A283T114-T170 HydrophobicContact CG2-CG2 3.64Å; T170-V172 PolarHBondContact O-N 3.31Å; T170-Q215 VanDerWaalsContact CB-O 3.28Å; T170-Q215 WeakPolarHBondContact CB-O 3.35Å; T170-Q215 HydrophobicContact CG2-CB 3.92Å; T170-Q215 PolarHBondContact OG1-O 3.49Å; T170-S242 VanDerWaalsContact CG2-OG 3.24Å; T170-S242 WeakPolarHBondContact CG2-OG 3.43Å; T170-S242 PolarHBondContact OG1-OG 2.81Å; T170-A283 HydrophobicContact CG2-CB 4.12Å
171N96.9Very high96.3Very high39 Ų3918.5 Ų18.521%0.20911%0.114CC..EExtended strand (participates in β ladder)trans-76.399.3-177.6-71.487.3000110.4Q215 F216 I217N171-Q215 WeakPolarHBondContact CB-O 3.15Å; N171-Q215 PolarHBondContact N-O 3.08Å; N171-F216 HydrophobicContact CB-CD1 3.45Å; N171-F216 VanDerWaalsContact CB-CD1 3.45Å; N171-F216 HydrophobicContact CB-CE1 3.67Å; N171-F216 HydrophobicContact CB-CG 4.23Å; N171-F216 CarbonylContact O-C 3.58Å; N171-F216 VanDerWaalsContact O-CA 3.27Å; N171-F216 WeakPolarHBondContact O-CA 3.35Å; N171-I217 PolarHBondContact O-N 3.08Å
172V98.2Very high96Very high26 Ų2622.9 Ų22.916%0.15812%0.12CC..EExtended strand (participates in β ladder)trans-74.4139.7178.3-160.80000110.7L16 V17 P169 T170 I217 L222L16-V172 HydrophobicContact CD2-CB 4Å; L16-V172 HydrophobicContact CD2-CG1 3.71Å; L16-V172 HydrophobicContact CG-CG1 4.29Å; V17-V172 HydrophobicContact CG2-CG1 4.23Å; P169-V172 HydrophobicContact CB-CG2 3.8Å; P169-V172 HydrophobicContact CG-CG2 4.21Å; T170-V172 PolarHBondContact O-N 3.31Å; V172-I217 WeakPolarHBondContact CA-O 3.38Å; V172-I217 HydrophobicContact CB-CG2 4.36Å; V172-I217 HydrophobicContact CG2-CG2 3.96Å; V172-L222 HydrophobicContact CB-CD2 4.31Å; V172-L222 HydrophobicContact CG1-CD2 3.72Å; V172-L222 HydrophobicContact CG2-CD2 3.52Å
173F98.6Very high95.8Very high4 Ų423.9 Ų23.92%0.01813%0.127CC..EExtended strand (participates in β ladder)trans-145.3159.1170.474.3-79.3000111.3L187 F216 I217 Y218 S219 F300 A303 L304 T307F173-L187 HydrophobicContact CB-CD2 3.79Å; F173-L187 HydrophobicContact CD1-CD2 3.86Å; F173-L187 HydrophobicContact CD2-CD2 3.69Å; F173-L187 HydrophobicContact CE1-CD2 4.34Å; F173-L187 HydrophobicContact CE2-CD2 4.18Å; F173-L187 HydrophobicContact CG-CD2 3.5Å; F173-L187 VanDerWaalsContact CG-CD2 3.5Å; F173-L187 HydrophobicContact CZ-CD2 4.47Å; F173-F216 HydrophobicContact CD1-CB 3.9Å; F173-F216 HydrophobicContact CD1-CD1 4.34Å; F173-F216 HydrophobicContact CE1-CB 3.76Å; F173-I217 WeakPolarHBondContact CD1-O 3.35Å; F173-I217 PolarHBondContact N-O 3.22Å; F173-I217 VanDerWaalsContact N-O 3.17Å; F173-Y218 HydrophobicContact CD2-CD2 4.49Å; F173-Y218 HydrophobicContact CE2-CD2 4.17Å; F173-Y218 HydrophobicContact CZ-CD2 4.38Å; F173-Y218 WeakPolarHBondContact O-CD2 3.33Å; F173-S219 WeakPolarHBondContact O-CB 3.19Å; F173-S219 PolarHBondContact O-N 2.87Å; F173-S219 PolarHBondContact O-OG 3.18Å; F173-F300 HydrophobicContact CE1-CD2 4.17Å; F173-F300 HydrophobicContact CE1-CE2 4.21Å; F173-F300 HydrophobicContact CZ-CD2 4.03Å; F173-F300 HydrophobicContact CZ-CE2 4.15Å; F173-A303 HydrophobicContact CE2-CB 3.9Å; F173-A303 HydrophobicContact CZ-CB 3.59Å; F173-L304 HydrophobicContact CE2-CB 4.32Å; F173-L304 HydrophobicContact CE2-CD1 4.44Å; F173-T307 HydrophobicContact CD2-CG2 4.41Å
174G98.6Very high95.4Very high0 Ų023 Ų230%012%0.123CC..  trans158.6-172.7176.200000114.2D177 T307G174-D177 WeakPolarHBondContact O-CB 3.47Å; G174-D177 PolarHBondContact O-N 3.47Å; G174-T307 WeakPolarHBondContact CA-OG1 3.22Å
175P98.3Very high95Very high23 Ų2326.3 Ų26.315%0.14914%0.138CC..THydrogen-bonded Turntrans-49.5147168.6-30.538000113.1L16 D177 W310L16-P175 WeakPolarHBondContact CD1-O 3.17Å; P175-D177 PolarHBondContact O-N 2.95Å; P175-W310 HydrophobicContact CB-CB 4.39Å; P175-W310 HydrophobicContact CB-CD2 3.66Å; P175-W310 HydrophobicContact CB-CE3 4.26Å; P175-W310 HydrophobicContact CB-CG 3.67Å; P175-W310 HydrophobicContact CG-CB 4.11Å; P175-W310 HydrophobicContact CG-CD2 4.35Å; P175-W310 HydrophobicContact CG-CG 3.89Å
176H97.6Very high94.7Very high57 Ų5729 Ų2926%0.26415%0.154SC..THydrogen-bonded Turntrans64.714.1-179.7-52.5-76.8000116.7R19 W310R19-H176 HydrophobicContact CB-CB 4.07Å; R19-H176 HydrophobicContact CG-CB 3.98Å; R19-H176 PolarHBondContact NE-NE2 3.03Å; R19-H176 PolarHBondContact NH2-CE1 3.3Å; R19-H176 PolarHBondContact NH2-NE2 3.26Å; H176-W310 HydrophobicContact CB-CH2 4.46Å; H176-W310 AromaticContact CE1-CZ2 3.51Å; H176-W310 AromaticContact CG-CZ2 3.76Å; H176-W310 VanDerWaalsContact N-CH2 3.26Å; H176-W310 VanDerWaalsContact N-CZ3 3.31Å; H176-W310 AromaticContact ND1-CH2 3.83Å; H176-W310 AromaticContact ND1-CZ2 3.34Å; H176-W310 VanDerWaalsContact ND1-CZ2 3.34Å; H176-W310 WeakPolarHBondContact ND1-CZ2 3.41Å
177D96.9Very high94.5Very high8 Ų829.1 Ų29.14%0.04316%0.155CC..  trans-63.7171.4171-150.7-16.5000112.5L16 G174 P175 F179 P188L16-D177 HydrophobicContact CD1-CB 4.14Å; L16-D177 HydrophobicContact CD2-CB 4.29Å; G174-D177 WeakPolarHBondContact O-CB 3.47Å; G174-D177 PolarHBondContact O-N 3.47Å; P175-D177 PolarHBondContact O-N 2.95Å; D177-F179 HydrophobicContact CB-CD2 4.32Å; D177-F179 HydrophobicContact CB-CE2 3.77Å; D177-F179 HydrophobicContact CB-CZ 4.02Å; D177-F179 VanDerWaalsContact O-CD2 3.23Å; D177-F179 WeakPolarHBondContact O-CD2 3.44Å; D177-F179 WeakPolarHBondContact O-CE2 3.4Å; D177-P188 HydrophobicContact CB-CB 4.13Å; D177-P188 WeakPolarHBondContact OD2-CG 3.42Å
178N94.8Very high94.4Very high31 Ų3129.2 Ų29.217%0.16616%0.156CC..BIsolated β-bridgetrans-87.7100.6167.1-176.417.3000110.1S180N178-S180 PolarHBondContact O-N 2.82Å; N178-S180 VanDerWaalsContact OD1-CB 3.29Å; N178-S180 WeakPolarHBondContact OD1-CB 3.44Å; N178-S180 PolarHBondContact OD1-N 2.82Å
179F96.6Very high94.2Very high0 Ų029.5 Ų29.50%016%0.159CC..  trans-8413.4178.4-62.1-95.2000113.3D177 I181 P188 I191 H192 T307 W310 F311 A318 R319D177-F179 HydrophobicContact CB-CD2 4.32Å; D177-F179 HydrophobicContact CB-CE2 3.77Å; D177-F179 HydrophobicContact CB-CZ 4.02Å; D177-F179 VanDerWaalsContact O-CD2 3.23Å; D177-F179 WeakPolarHBondContact O-CD2 3.44Å; D177-F179 WeakPolarHBondContact O-CE2 3.4Å; F179-I181 PolarHBondContact O-N 3.4Å; F179-P188 HydrophobicContact CD1-CB 3.61Å; F179-P188 WeakPolarHBondContact CD1-O 3.34Å; F179-P188 HydrophobicContact CE1-CB 3.88Å; F179-P188 HydrophobicContact CG-CB 4.03Å; F179-P188 HydrophobicContact CZ-CB 4.49Å; F179-I191 HydrophobicContact CD1-CB 4.33Å; F179-I191 HydrophobicContact CD1-CG2 4.28Å; F179-I191 HydrophobicContact CE1-CB 4.3Å; F179-I191 HydrophobicContact CE1-CD1 4.09Å; F179-I191 HydrophobicContact CE1-CG2 4.11Å; F179-H192 HydrophobicContact CB-CB 4.27Å; F179-H192 WeakPolarHBondContact O-CB 3.47Å; F179-H192 PolarHBondContact O-ND1 2.79Å; F179-T307 HydrophobicContact CE1-CG2 4.43Å; F179-T307 HydrophobicContact CZ-CG2 4.21Å; F179-W310 HydrophobicContact CE2-CE3 4.29Å; F179-W310 AromaticContact CE2-CZ3 3.73Å; F179-W310 HydrophobicContact CE2-CZ3 3.73Å; F179-W310 HydrophobicContact CZ-CE3 4.35Å; F179-W310 HydrophobicContact CZ-CZ3 4.24Å; F179-F311 HydrophobicContact CB-CD2 4.1Å; F179-F311 HydrophobicContact CB-CE2 3.48Å; F179-F311 VanDerWaalsContact CB-CE2 3.48Å; F179-F311 HydrophobicContact CB-CZ 4.14Å; F179-F311 AromaticContact CD1-CD2 3.41Å; F179-F311 HydrophobicContact CD1-CD2 3.41Å; F179-F311 VanDerWaalsContact CD1-CD2 3.41Å; F179-F311 AromaticContact CD1-CE2 3.63Å; F179-F311 HydrophobicContact CD1-CE2 3.63Å; F179-F311 AromaticContact CD1-CG 3.95Å; F179-F311 HydrophobicContact CD1-CG 3.95Å; F179-F311 HydrophobicContact CD1-CZ 4.3Å; F179-F311 AromaticContact CD2-CD2 3.7Å; F179-F311 HydrophobicContact CD2-CD2 3.7Å; F179-F311 AromaticContact CD2-CE2 3.92Å; F179-F311 HydrophobicContact CD2-CE2 3.92Å; F179-F311 HydrophobicContact CE1-CB 3.99Å; F179-F311 AromaticContact CE1-CD2 3.65Å; F179-F311 HydrophobicContact CE1-CD2 3.65Å; F179-F311 HydrophobicContact CE1-CE2 4.34Å; F179-F311 AromaticContact CE1-CG 3.91Å; F179-F311 HydrophobicContact CE1-CG 3.91Å; F179-F311 AromaticContact CE2-CD2 3.94Å; F179-F311 HydrophobicContact CE2-CD2 3.94Å; F179-F311 AromaticContact CG-CD2 3.45Å; F179-F311 HydrophobicContact CG-CD2 3.45Å; F179-F311 VanDerWaalsContact CG-CD2 3.45Å; F179-F311 AromaticContact CG-CE2 3.39Å; F179-F311 HydrophobicContact CG-CE2 3.39Å; F179-F311 HydrophobicContact CG-CG 4.42Å; F179-F311 HydrophobicContact CG-CZ 4.31Å; F179-F311 HydrophobicContact CZ-CB 4.16Å; F179-F311 AromaticContact CZ-CD2 3.92Å; F179-F311 HydrophobicContact CZ-CD2 3.92Å; F179-F311 HydrophobicContact CZ-CG 4.36Å; F179-A318 HydrophobicContact CD2-CB 4.39Å; F179-R319 WeakPolarHBondContact CA-O 3.29Å; F179-R319 WeakPolarHBondContact CB-O 3.26Å; F179-R319 PolarHBondContact N-O 2.71Å
180S94.3Very high94.2Very high18 Ų1829.5 Ų29.513%0.12616%0.159CC..  trans-59.7131.2173.1-177.10000111.9N178 E182 D183 G184 K320N178-S180 PolarHBondContact O-N 2.82Å; N178-S180 VanDerWaalsContact OD1-CB 3.29Å; N178-S180 WeakPolarHBondContact OD1-CB 3.44Å; N178-S180 PolarHBondContact OD1-N 2.82Å; S180-E182 VanDerWaalsContact C-N 3.32Å; S180-D183 PolarHBondContact OG-N 2.78Å; S180-G184 WeakPolarHBondContact O-CA 3.15Å; S180-G184 PolarHBondContact O-N 3.46Å; S180-K320 WeakPolarHBondContact CA-OXT 3.46Å; S180-K320 VanDerWaalsContact CB-OXT 3.32Å; S180-K320 WeakPolarHBondContact CB-OXT 3.39Å; S180-K320 PolarHBondContact OG-OXT 2.76Å
181I92Very high94.2Very high51 Ų5129.2 Ų29.226%0.26216%0.157SC..THydrogen-bonded Turntrans-70.1-33.3-179.8-69175.9000111.2F179 H192 K193 I196F179-I181 PolarHBondContact O-N 3.4Å; I181-H192 HydrophobicContact CG1-CB 4.19Å; I181-K193 HydrophobicContact CD1-CG 3.87Å; I181-K193 HydrophobicContact CG1-CG 4.02Å; I181-K193 HydrophobicContact CG2-CG 4.21Å; I181-I196 HydrophobicContact CD1-CD1 3.88Å
182E86.3Confident94.3Very high146 Ų14627.8 Ų27.868%0.68215%0.149SC*.THydrogen-bonded Turntrans-89.4-42.7-178.4-60.7-170.2171.600112.1S180S180-E182 VanDerWaalsContact C-N 3.32Å
183D83.3Confident94.2Very high52 Ų5228.1 Ų28.128%0.27815%0.148SC..THydrogen-bonded Turntrans-102.9-12.6-170.7-85.1-7.9000114.1G74 K77 S180G74-D183 PolarHBondContact N-O 3.45Å; K77-D183 HydrophobicContact CD-CB 4.41Å; K77-D183 IonicContact NZ-OD1 3.04Å; K77-D183 IonicContact NZ-OD2 2.84Å; K77-D183 PolarHBondContact NZ-OD2 3.45Å; S180-D183 PolarHBondContact OG-N 2.78Å
184G81.4Confident94.2Very high13 Ų1327.9 Ų27.913%0.13415%0.147CC..SBendtrans-81.6174.2-175.100000114.5G74 S180G74-G184 WeakPolarHBondContact CA-O 3.47Å; S180-G184 WeakPolarHBondContact O-CA 3.15Å; S180-G184 PolarHBondContact O-N 3.46Å
185H89.8Confident94.1Very high70 Ų7030.2 Ų30.232%0.32416%0.156SC..  trans-79.9167.6171.6-62.5124.2000111.4L187 P188 G189H185-L187 PolarHBondContact O-N 3.06Å; H185-P188 HydrophobicContact CB-CG 3.91Å; H185-P188 WeakPolarHBondContact O-CD 3.42Å; H185-P188 WeakPolarHBondContact O-CG 3.39Å; H185-G189 PolarHBondContact O-N 3.35Å
186V92.1Very high94.1Very high56 Ų5631.3 Ų31.334%0.33916%0.16SC..Hα-helixtrans-56.3-49.1-172.865.20000113.3L190 F216 I251V186-L190 HydrophobicContact CG2-CD1 4.07Å; V186-L190 HydrophobicContact CG2-CG 4.47Å; V186-L190 WeakPolarHBondContact O-CB 3.2Å; V186-L190 VanDerWaalsContact O-CG 3.23Å; V186-L190 WeakPolarHBondContact O-CG 3.43Å; V186-L190 PolarHBondContact O-N 2.89Å; V186-F216 HydrophobicContact CG1-CE1 4.03Å; V186-F216 HydrophobicContact CG1-CZ 3.99Å; V186-I251 HydrophobicContact CG1-CD1 4.03Å; V186-I251 HydrophobicContact CG2-CD1 3.87Å; V186-I251 HydrophobicContact CG2-CG1 4.5Å; V186-I251 HydrophobicContact CG2-CG2 4.13Å
187L95.6Very high94.1Very high3 Ų328.8 Ų28.82%0.01615%0.15CC..Hα-helixtrans-70.7-49.6-175.3-160.660.9000113.5F173 H185 G189 L190 I191 F216 A254 V258 F300 L304F173-L187 HydrophobicContact CB-CD2 3.79Å; F173-L187 HydrophobicContact CD1-CD2 3.86Å; F173-L187 HydrophobicContact CD2-CD2 3.69Å; F173-L187 HydrophobicContact CE1-CD2 4.34Å; F173-L187 HydrophobicContact CE2-CD2 4.18Å; F173-L187 HydrophobicContact CG-CD2 3.5Å; F173-L187 VanDerWaalsContact CG-CD2 3.5Å; F173-L187 HydrophobicContact CZ-CD2 4.47Å; H185-L187 PolarHBondContact O-N 3.06Å; L187-G189 VanDerWaalsContact C-N 3.28Å; L187-G189 PolarHBondContact O-N 3.17Å; L187-L190 PolarHBondContact O-N 2.82Å; L187-L190 VanDerWaalsContact O-N 3.17Å; L187-I191 WeakPolarHBondContact O-CG1 3.48Å; L187-I191 PolarHBondContact O-N 2.83Å; L187-F216 HydrophobicContact CB-CD1 4.49Å; L187-F216 HydrophobicContact CB-CE1 3.95Å; L187-F216 HydrophobicContact CD2-CD1 3.89Å; L187-F216 HydrophobicContact CD2-CE1 4.07Å; L187-F216 HydrophobicContact CD2-CG 4.37Å; L187-A254 HydrophobicContact CD1-CB 4.09Å; L187-V258 HydrophobicContact CD1-CG2 3.93Å; L187-F300 HydrophobicContact CD2-CE2 4.09Å; L187-F300 HydrophobicContact CD2-CZ 4.43Å; L187-L304 HydrophobicContact CD1-CD1 4.04Å; L187-L304 HydrophobicContact CD2-CD1 4.01Å; L187-L304 HydrophobicContact CG-CD1 4.01Å
188P96.4Very high94Very high2 Ų232.7 Ų32.71%0.01317%0.168CC..Hα-helixtrans-63.9-33.8174.928.7-38.6000112.2D177 F179 H185 I191 H192D177-P188 HydrophobicContact CB-CB 4.13Å; D177-P188 WeakPolarHBondContact OD2-CG 3.42Å; F179-P188 HydrophobicContact CD1-CB 3.61Å; F179-P188 WeakPolarHBondContact CD1-O 3.34Å; F179-P188 HydrophobicContact CE1-CB 3.88Å; F179-P188 HydrophobicContact CG-CB 4.03Å; F179-P188 HydrophobicContact CZ-CB 4.49Å; H185-P188 HydrophobicContact CB-CG 3.91Å; H185-P188 WeakPolarHBondContact O-CD 3.42Å; H185-P188 WeakPolarHBondContact O-CG 3.39Å; P188-I191 PolarHBondContact O-N 3.42Å; P188-H192 PolarHBondContact O-N 2.85Å
189G95.8Very high94Very high7 Ų738.8 Ų38.87%0.07219%0.193CC..Hα-helixtrans-64.3-39.8172.200000113.2H185 L187 H192 K193H185-G189 PolarHBondContact O-N 3.35Å; L187-G189 VanDerWaalsContact C-N 3.28Å; L187-G189 PolarHBondContact O-N 3.17Å; G189-H192 PolarHBondContact O-N 3.28Å; G189-K193 WeakPolarHBondContact O-CB 3.47Å; G189-K193 VanDerWaalsContact O-CG 3.27Å; G189-K193 WeakPolarHBondContact O-CG 3.45Å; G189-K193 PolarHBondContact O-N 3.38Å
190L97.1Very high94Very high6 Ų643.9 Ų43.93%0.03122%0.216CC..Hα-helixtrans-64.6-43.7174.5-77.3171.5000112.1V186 L187 H192 K193 A194 V206 I251 A255 V258V186-L190 HydrophobicContact CG2-CD1 4.07Å; V186-L190 HydrophobicContact CG2-CG 4.47Å; V186-L190 WeakPolarHBondContact O-CB 3.2Å; V186-L190 VanDerWaalsContact O-CG 3.23Å; V186-L190 WeakPolarHBondContact O-CG 3.43Å; V186-L190 PolarHBondContact O-N 2.89Å; L187-L190 PolarHBondContact O-N 2.82Å; L187-L190 VanDerWaalsContact O-N 3.17Å; L190-H192 VanDerWaalsContact C-N 3.33Å; L190-H192 PolarHBondContact O-N 3.46Å; L190-K193 PolarHBondContact O-N 3.4Å; L190-A194 VanDerWaalsContact O-CB 3.31Å; L190-A194 WeakPolarHBondContact O-CB 3.46Å; L190-A194 PolarHBondContact O-N 2.78Å; L190-V206 HydrophobicContact CD2-CB 4.39Å; L190-V206 HydrophobicContact CD2-CG1 4.16Å; L190-V206 HydrophobicContact CD2-CG2 3.82Å; L190-I251 HydrophobicContact CD1-CG2 4.44Å; L190-A255 HydrophobicContact CD1-CB 4.27Å; L190-A255 HydrophobicContact CD2-CB 4.43Å; L190-V258 HydrophobicContact CB-CG2 4.28Å
191I98.3Very high94.1Very high1 Ų146.5 Ų46.51%0.00525%0.246CC..Hα-helixtrans-57.5-48.2176.1-66.2168.3000110F179 L187 P188 A194 Y195 V258 L304 T307 F311F179-I191 HydrophobicContact CD1-CB 4.33Å; F179-I191 HydrophobicContact CD1-CG2 4.28Å; F179-I191 HydrophobicContact CE1-CB 4.3Å; F179-I191 HydrophobicContact CE1-CD1 4.09Å; F179-I191 HydrophobicContact CE1-CG2 4.11Å; L187-I191 WeakPolarHBondContact O-CG1 3.48Å; L187-I191 PolarHBondContact O-N 2.83Å; P188-I191 PolarHBondContact O-N 3.42Å; I191-A194 PolarHBondContact O-N 3.13Å; I191-Y195 WeakPolarHBondContact O-CB 3.5Å; I191-Y195 PolarHBondContact O-N 3.35Å; I191-V258 HydrophobicContact CG1-CG1 4.24Å; I191-V258 HydrophobicContact CG1-CG2 3.95Å; I191-L304 HydrophobicContact CD1-CD1 3.87Å; I191-L304 HydrophobicContact CG1-CD1 4.31Å; I191-T307 HydrophobicContact CD1-CG2 3.88Å; I191-F311 HydrophobicContact CG2-CB 4.1Å; I191-F311 HydrophobicContact CG2-CD1 3.57Å; I191-F311 HydrophobicContact CG2-CE1 4.18Å; I191-F311 HydrophobicContact CG2-CG 3.92Å
192H97.9Very high94.3Very high10 Ų1049.7 Ų49.75%0.04626%0.258CS..Hα-helixtrans-66.5-43.3-179.7-167.8-174000112.6F179 I181 P188 G189 L190 A194 Y195 I196 F311 Y315F179-H192 HydrophobicContact CB-CB 4.27Å; F179-H192 WeakPolarHBondContact O-CB 3.47Å; F179-H192 PolarHBondContact O-ND1 2.79Å; I181-H192 HydrophobicContact CG1-CB 4.19Å; P188-H192 PolarHBondContact O-N 2.85Å; G189-H192 PolarHBondContact O-N 3.28Å; L190-H192 VanDerWaalsContact C-N 3.33Å; L190-H192 PolarHBondContact O-N 3.46Å; H192-A194 VanDerWaalsContact C-N 3.34Å; H192-A194 PolarHBondContact O-N 3.06Å; H192-Y195 PolarHBondContact O-N 3.41Å; H192-I196 WeakPolarHBondContact NE2-CD1 3.46Å; H192-I196 PolarHBondContact O-N 3.25Å; H192-F311 HydrophobicContact CB-CE1 4.35Å; H192-F311 HydrophobicContact CB-CZ 3.92Å; H192-F311 AromaticContact CD2-CZ 3.63Å; H192-F311 AromaticContact CG-CZ 3.78Å; H192-Y315 AromaticContact CD2-CE2 3.79Å; H192-Y315 AromaticContact NE2-CE2 3.57Å; H192-Y315 AromaticContact NE2-CZ 3.77Å; H192-Y315 PolarHBondContact NE2-OH 3.28Å; H192-Y315 VanDerWaalsContact NE2-OH 3.11Å
193K97.3Very high94.8Very high32 Ų3245.5 Ų45.514%0.13924%0.244CC..Hα-helixtrans-59.6-44.4175.5-75.7177.9176.2-170.90111.9I181 G189 L190 I196 A197 L204 V205 W207I181-K193 HydrophobicContact CD1-CG 3.87Å; I181-K193 HydrophobicContact CG1-CG 4.02Å; I181-K193 HydrophobicContact CG2-CG 4.21Å; G189-K193 WeakPolarHBondContact O-CB 3.47Å; G189-K193 VanDerWaalsContact O-CG 3.27Å; G189-K193 WeakPolarHBondContact O-CG 3.45Å; G189-K193 PolarHBondContact O-N 3.38Å; L190-K193 PolarHBondContact O-N 3.4Å; K193-I196 PolarHBondContact O-N 3.46Å; K193-A197 WeakPolarHBondContact O-CB 3.41Å; K193-A197 PolarHBondContact O-N 3.33Å; K193-L204 HydrophobicContact CB-CD1 3.57Å; K193-V205 WeakPolarHBondContact CD-O 3.25Å; K193-V205 PolarHBondContact NZ-O 2.81Å; K193-V205 VanDerWaalsContact NZ-O 3.15Å; K193-W207 VanDerWaalsContact NZ-CE2 3.29Å
194A97.8Very high95.5Very high0 Ų043 Ų430%023%0.23CC..Hα-helixtrans-64.9-42.2179.100000111.4L190 I191 H192 A197 Q198 L204 V258 L262L190-A194 VanDerWaalsContact O-CB 3.31Å; L190-A194 WeakPolarHBondContact O-CB 3.46Å; L190-A194 PolarHBondContact O-N 2.78Å; I191-A194 PolarHBondContact O-N 3.13Å; H192-A194 VanDerWaalsContact C-N 3.34Å; H192-A194 PolarHBondContact O-N 3.06Å; A194-A197 PolarHBondContact O-N 3.35Å; A194-Q198 WeakPolarHBondContact O-CB 3.37Å; A194-Q198 PolarHBondContact O-N 3.33Å; A194-L204 HydrophobicContact CB-CD1 4.18Å; A194-L204 HydrophobicContact CB-CD2 4.06Å; A194-V258 HydrophobicContact CB-CG1 3.72Å; A194-L262 HydrophobicContact CB-CD1 3.63Å
195Y97.4Very high96.3Very high48 Ų4845 Ų4519%0.18824%0.24CC..Hα-helixtrans-59.3-47.3175.4-178.5-93.9000112.6I191 H192 Q198 K199 F311 V312 Y315I191-Y195 WeakPolarHBondContact O-CB 3.5Å; I191-Y195 PolarHBondContact O-N 3.35Å; H192-Y195 PolarHBondContact O-N 3.41Å; Y195-Q198 PolarHBondContact O-N 3.17Å; Y195-K199 PolarHBondContact O-N 3.41Å; Y195-K199 VanDerWaalsContact O-N 3.14Å; Y195-F311 HydrophobicContact CD1-CE1 4.24Å; Y195-F311 HydrophobicContact CD2-CE1 4.44Å; Y195-F311 AromaticContact CG-CE1 3.93Å; Y195-F311 HydrophobicContact CG-CE1 3.93Å; Y195-V312 HydrophobicContact CD2-CG2 3.88Å; Y195-V312 HydrophobicContact CE2-CB 4.45Å; Y195-V312 HydrophobicContact CE2-CG1 4.31Å; Y195-V312 HydrophobicContact CE2-CG2 3.94Å; Y195-Y315 AromaticContact CD1-CD2 3.8Å; Y195-Y315 HydrophobicContact CD1-CD2 3.8Å; Y195-Y315 AromaticContact CD1-CE2 3.48Å; Y195-Y315 HydrophobicContact CD1-CE2 3.48Å; Y195-Y315 VanDerWaalsContact CD1-CE2 3.48Å; Y195-Y315 HydrophobicContact CE1-CD1 4.07Å; Y195-Y315 AromaticContact CE1-CD2 3.49Å; Y195-Y315 HydrophobicContact CE1-CD2 3.49Å; Y195-Y315 VanDerWaalsContact CE1-CD2 3.49Å; Y195-Y315 HydrophobicContact CE1-CE1 4Å; Y195-Y315 AromaticContact CE1-CE2 3.42Å; Y195-Y315 HydrophobicContact CE1-CE2 3.42Å; Y195-Y315 VanDerWaalsContact CE1-CE2 3.42Å; Y195-Y315 AromaticContact CE1-CG 3.83Å; Y195-Y315 HydrophobicContact CE1-CG 3.83Å; Y195-Y315 AromaticContact CE1-CZ 3.69Å; Y195-Y315 HydrophobicContact CG-CE2 4.46Å; Y195-Y315 AromaticContact CZ-CD2 3.99Å
196I97.3Very high96.5Very high46 Ų4641.8 Ų41.824%0.23623%0.225CC..Hα-helixtrans-64.6-47.3176.3-69.6173.3000110.7I181 H192 K193 Q198 K199 E200I181-I196 HydrophobicContact CD1-CD1 3.88Å; H192-I196 WeakPolarHBondContact NE2-CD1 3.46Å; H192-I196 PolarHBondContact O-N 3.25Å; K193-I196 PolarHBondContact O-N 3.46Å; I196-Q198 PolarHBondContact O-N 3.46Å; I196-K199 PolarHBondContact O-N 3.15Å; I196-K199 VanDerWaalsContact O-N 3.1Å; I196-E200 HydrophobicContact CG2-CG 4.15Å; I196-E200 WeakPolarHBondContact O-CB 3.46Å; I196-E200 WeakPolarHBondContact O-CG 3.37Å; I196-E200 PolarHBondContact O-N 2.94Å
197A97.4Very high96.6Very high5 Ų543 Ų434%0.04122%0.224CC..Hα-helixtrans-56.5-41.3179.700000111.6K193 A194 E200 G201 K202 L204 F264K193-A197 WeakPolarHBondContact O-CB 3.41Å; K193-A197 PolarHBondContact O-N 3.33Å; A194-A197 PolarHBondContact O-N 3.35Å; A197-E200 PolarHBondContact O-N 3.31Å; A197-G201 WeakPolarHBondContact O-CA 3.41Å; A197-G201 PolarHBondContact O-N 3.42Å; A197-K202 WeakPolarHBondContact CB-O 3.44Å; A197-K202 PolarHBondContact O-N 2.88Å; A197-L204 HydrophobicContact CB-CB 4.49Å; A197-F264 HydrophobicContact CB-CE2 3.77Å; A197-F264 HydrophobicContact CB-CZ 3.99Å
198Q95.8Very high96.5Very high90 Ų9042.9 Ų42.942%0.42122%0.223SC..Hα-helixtrans-62.8-46.6175.5-169.1166.1-600112.4A194 Y195 I196 E200 L262 F264A194-Q198 WeakPolarHBondContact O-CB 3.37Å; A194-Q198 PolarHBondContact O-N 3.33Å; Y195-Q198 PolarHBondContact O-N 3.17Å; I196-Q198 PolarHBondContact O-N 3.46Å; Q198-E200 VanDerWaalsContact C-N 3.31Å; Q198-E200 PolarHBondContact O-N 2.94Å; Q198-L262 PolarHBondContact NE2-O 3.34Å; Q198-L262 PolarHBondContact OE1-O 3.31Å; Q198-F264 HydrophobicContact CB-CD2 3.82Å; Q198-F264 HydrophobicContact CB-CE2 4.31Å; Q198-F264 HydrophobicContact CG-CD2 4.31Å
199K94.9Very high96.3Very high159 Ų15945 Ų4569%0.69124%0.238SC*.Hα-helixtrans-66.2-34.1-179.1-172.5177.4179.2178.90112.5Y195 I196Y195-K199 PolarHBondContact O-N 3.41Å; Y195-K199 VanDerWaalsContact O-N 3.14Å; I196-K199 PolarHBondContact O-N 3.15Å; I196-K199 VanDerWaalsContact O-N 3.1Å
200E96.6Very high96.3Very high107 Ų10744.8 Ų44.850%0.524%0.235SC..Hα-helixtrans-96-6.1-176.1-63.8-174.1179.600114I196 A197 Q198 K202I196-E200 HydrophobicContact CG2-CG 4.15Å; I196-E200 WeakPolarHBondContact O-CB 3.46Å; I196-E200 WeakPolarHBondContact O-CG 3.37Å; I196-E200 PolarHBondContact O-N 2.94Å; A197-E200 PolarHBondContact O-N 3.31Å; Q198-E200 VanDerWaalsContact C-N 3.31Å; Q198-E200 PolarHBondContact O-N 2.94Å; E200-K202 VanDerWaalsContact C-N 3.3Å; E200-K202 HydrophobicContact CB-CB 4.49Å; E200-K202 HydrophobicContact CB-CD 4.13Å; E200-K202 HydrophobicContact CB-CG 4.08Å; E200-K202 PolarHBondContact O-N 3.3Å; E200-K202 WeakPolarHBondContact OE2-CD 3.33Å; E200-K202 VanDerWaalsContact OE2-CE 3.27Å; E200-K202 WeakPolarHBondContact OE2-CE 3.5Å; E200-K202 IonicContact OE2-NZ 2.94Å; E200-K202 PolarHBondContact OE2-NZ 3.08Å
201G95.3Very high96.2Very high73 Ų7347.1 Ų47.175%0.75325%0.252SS*.THydrogen-bonded Turntrans65.132.6-17500000113.4A197A197-G201 WeakPolarHBondContact O-CA 3.41Å; A197-G201 PolarHBondContact O-N 3.42Å
202K96.9Very high96Very high118 Ų11847.2 Ų47.251%0.51325%0.253SS..  trans-106161.8-178.2-74-177.2-172.7161.70111.7A197 E200 F264A197-K202 WeakPolarHBondContact CB-O 3.44Å; A197-K202 PolarHBondContact O-N 2.88Å; E200-K202 VanDerWaalsContact C-N 3.3Å; E200-K202 HydrophobicContact CB-CB 4.49Å; E200-K202 HydrophobicContact CB-CD 4.13Å; E200-K202 HydrophobicContact CB-CG 4.08Å; E200-K202 PolarHBondContact O-N 3.3Å; E200-K202 WeakPolarHBondContact OE2-CD 3.33Å; E200-K202 VanDerWaalsContact OE2-CE 3.27Å; E200-K202 WeakPolarHBondContact OE2-CE 3.5Å; E200-K202 IonicContact OE2-NZ 2.94Å; E200-K202 PolarHBondContact OE2-NZ 3.08Å; K202-F264 WeakPolarHBondContact O-CZ 3.45Å
203P97.1Very high95.9Very high58 Ų5850 Ų5038%0.37726%0.263SS..  trans-65.9146.8170.827.1-34.7000111.8V205 E267 V269P203-V205 PolarHBondContact O-N 3.25Å; P203-E267 CarbonylContact C-O 3.56Å; P203-E267 VanDerWaalsContact CA-O 3.25Å; P203-E267 WeakPolarHBondContact CA-O 3.39Å; P203-E267 HydrophobicContact CB-CB 4.23Å; P203-V269 HydrophobicContact CB-CG2 3.94Å
204L97.8Very high95.8Very high0 Ų049.7 Ų49.70%026%0.261CS..EExtended strand (participates in β ladder)trans-77.3114.3167.6170.457.6000109.1K193 A194 A197 V206 V259 F264 E267 V268 V269K193-L204 HydrophobicContact CB-CD1 3.57Å; A194-L204 HydrophobicContact CB-CD1 4.18Å; A194-L204 HydrophobicContact CB-CD2 4.06Å; A197-L204 HydrophobicContact CB-CB 4.49Å; L204-V206 HydrophobicContact CG-CG2 4.3Å; L204-V259 HydrophobicContact CD2-CG2 3.82Å; L204-F264 HydrophobicContact CB-CE1 3.77Å; L204-F264 HydrophobicContact CB-CZ 4.01Å; L204-E267 PolarHBondContact N-O 2.69Å; L204-V268 HydrophobicContact CB-CG2 4.47Å; L204-V268 HydrophobicContact CD2-CG1 4.44Å; L204-V268 HydrophobicContact CD2-CG2 4.4Å; L204-V268 HydrophobicContact CG-CG1 4.5Å; L204-V268 WeakPolarHBondContact O-CA 3.47Å; L204-V269 PolarHBondContact O-N 2.84Å
205V96.9Very high95.9Very high54 Ų5449.8 Ų49.833%0.32726%0.261SS..EExtended strand (participates in β ladder)trans-96.1104.4177.7-174.40000111.3K193 P203 V269 D271K193-V205 WeakPolarHBondContact CD-O 3.25Å; K193-V205 PolarHBondContact NZ-O 2.81Å; K193-V205 VanDerWaalsContact NZ-O 3.15Å; P203-V205 PolarHBondContact O-N 3.25Å; V205-V269 CarbonylContact C-O 3.52Å; V205-V269 WeakPolarHBondContact CA-O 3.45Å; V205-D271 HydrophobicContact CG1-CB 3.81Å
206V95.9Very high95.9Very high2 Ų248.1 Ų48.11%0.01226%0.255CS..EExtended strand (participates in β ladder)trans-82.9132.8171.6-177.20000108.7L190 L204 I251 A255 V268 V269 Y270 D271L190-V206 HydrophobicContact CD2-CB 4.39Å; L190-V206 HydrophobicContact CD2-CG1 4.16Å; L190-V206 HydrophobicContact CD2-CG2 3.82Å; L204-V206 HydrophobicContact CG-CG2 4.3Å; V206-I251 HydrophobicContact CG1-CG2 4.05Å; V206-A255 HydrophobicContact CG2-CB 3.95Å; V206-V268 HydrophobicContact CG2-CG1 3.94Å; V206-V269 PolarHBondContact N-O 3.04Å; V206-Y270 HydrophobicContact CB-CD1 3.79Å; V206-Y270 HydrophobicContact CB-CE1 3.88Å; V206-Y270 HydrophobicContact CG1-CD1 3.86Å; V206-Y270 HydrophobicContact CG1-CE1 3.81Å; V206-Y270 HydrophobicContact CG2-CE1 4.2Å; V206-Y270 CarbonylContact O-C 3.54Å; V206-Y270 WeakPolarHBondContact O-CA 3.31Å; V206-D271 PolarHBondContact O-N 3.17Å
207W93.9Very high96Very high83 Ų8345.9 Ų45.931%0.31424%0.244SC..EExtended strand (participates in β ladder)trans-86.7133.8178.4-69.5-12.7000110.8F76 K193 K274F76-W207 HydrophobicContact CD2-CE3 4.38Å; F76-W207 AromaticContact CD2-CZ3 3.94Å; F76-W207 HydrophobicContact CD2-CZ3 3.94Å; F76-W207 AromaticContact CE2-CE3 3.53Å; F76-W207 HydrophobicContact CE2-CE3 3.53Å; F76-W207 AromaticContact CE2-CZ3 3.53Å; F76-W207 HydrophobicContact CE2-CZ3 3.53Å; F76-W207 HydrophobicContact CZ-CE3 4.06Å; F76-W207 HydrophobicContact CZ-CZ3 4.29Å; K193-W207 VanDerWaalsContact NZ-CE2 3.29Å; W207-K274 HydrophobicContact CB-CB 3.8Å; W207-K274 HydrophobicContact CB-CG 3.98Å; W207-K274 HydrophobicContact CD2-CG 4.16Å; W207-K274 HydrophobicContact CG-CB 4.16Å; W207-K274 HydrophobicContact CG-CG 3.76Å
208G92.1Very high96Very high0 Ų046.1 Ų46.10%024%0.244CC..SBendtrans87.5-176.8-175.800000113.3G210 D271 D276G208-G210 VanDerWaalsContact C-N 3.26Å; G208-G210 PolarHBondContact O-N 3.23Å; G208-D271 PolarHBondContact N-O 3.35Å; G208-D276 WeakPolarHBondContact CA-OD1 3.43Å
209S93.9Very high96.2Very high47 Ų4741.9 Ų41.933%0.32922%0.224SC..  trans-71.7-18-179.7680000113.8S211 D276S209-S211 PolarHBondContact O-N 3.4Å; S209-S211 WeakPolarHBondContact OG-CB 3.34Å; S209-S211 PolarHBondContact OG-N 3.21Å; S209-S211 PolarHBondContact OG-OG 2.97Å; S209-D276 WeakPolarHBondContact CB-OD2 3.45Å; S209-D276 PolarHBondContact N-OD1 3.2Å; S209-D276 VanDerWaalsContact OG-CG 3.27Å; S209-D276 PolarHBondContact OG-OD1 3Å; S209-D276 PolarHBondContact OG-OD2 3.49Å
210G94.4Very high96.4Very high2 Ų235.1 Ų35.12%0.02120%0.195CC..SBendtrans77.9-3.7-172.100000114.5G208 P212 I251 K252G208-G210 VanDerWaalsContact C-N 3.26Å; G208-G210 PolarHBondContact O-N 3.23Å; G210-P212 VanDerWaalsContact C-CD 3.43Å; G210-I251 PolarHBondContact O-N 2.79Å; G210-K252 PolarHBondContact O-N 3.12Å
211S95.7Very high96.5Very high54 Ų5430.1 Ų30.138%0.37817%0.172SC..  trans-72.4-26.7-179.471.60000116.7S209 F279S209-S211 PolarHBondContact O-N 3.4Å; S209-S211 WeakPolarHBondContact OG-CB 3.34Å; S209-S211 PolarHBondContact OG-N 3.21Å; S209-S211 PolarHBondContact OG-OG 2.97Å; S211-F279 WeakPolarHBondContact O-CE2 3.28Å
212P94.2Very high96.7Very high3 Ų326.6 Ų26.62%0.01914%0.136CC..  trans-58.6144.9179.4-26.435.9000112.3G210 S250 I251 D276 F279G210-P212 VanDerWaalsContact C-CD 3.43Å; P212-S250 CarbonylContact O-C 3.58Å; P212-S250 VanDerWaalsContact O-CA 3.27Å; P212-S250 WeakPolarHBondContact O-CA 3.49Å; P212-I251 HydrophobicContact CB-CG1 4.24Å; P212-I251 PolarHBondContact O-N 3.03Å; P212-D276 HydrophobicContact CG-CB 3.7Å; P212-F279 WeakPolarHBondContact CA-O 3.25Å
213R95.4Very high96.8Very high69 Ų6921 Ų2126%0.2611%0.111SC..EExtended strand (participates in β ladder)trans-113.4141.2-177-57.1-170.468.583.4-3.7112.3E248 V249 E253 F279 K280R213-E248 HydrophobicContact CB-CG 3.74Å; R213-E248 WeakPolarHBondContact CB-OE2 3.27Å; R213-E248 VanDerWaalsContact CD-OE2 3.31Å; R213-E248 WeakPolarHBondContact CD-OE2 3.37Å; R213-E248 IonicContact NE-OE2 3.11Å; R213-E248 PolarHBondContact NE-OE2 3.36Å; R213-E248 VanDerWaalsContact NE-OE2 3.11Å; R213-E248 PolarHBondContact NH2-O 3.15Å; R213-V249 CarbonylContact C-O 3.17Å; R213-V249 WeakPolarHBondContact CA-O 3.47Å; R213-E253 IonicContact CZ-OE2 4Å; R213-E253 IonicContact NH1-OE2 3.36Å; R213-E253 PolarHBondContact NH1-OE2 3.44Å; R213-E253 IonicContact NH2-OE2 3.86Å; R213-F279 PolarHBondContact N-O 3.2Å; R213-K280 HydrophobicContact CB-CG 4.39Å
214R96Very high96.8Very high25 Ų2521.9 Ų21.99%0.09411%0.107CC..EExtended strand (participates in β ladder)trans-141.5143-174.2-57.9-64.9178.1-98.1-1.3110.1F216 V249 I251 Q278 F279R214-F216 HydrophobicContact CB-CD2 4.22Å; R214-F216 HydrophobicContact CB-CE2 3.67Å; R214-F216 HydrophobicContact CB-CZ 3.84Å; R214-F216 HydrophobicContact CG-CE2 4.48Å; R214-F216 HydrophobicContact CG-CZ 4.27Å; R214-V249 PolarHBondContact N-O 3.02Å; R214-V249 PolarHBondContact O-N 3.2Å; R214-I251 HydrophobicContact CG-CD1 3.93Å; R214-Q278 VanDerWaalsContact CZ-O 3.23Å; R214-Q278 PolarHBondContact NH1-O 2.97Å; R214-Q278 PolarHBondContact NH2-O 3.43Å; R214-F279 PolarHBondContact NH1-O 3.14Å
215Q98.1Very high96.9Very high3 Ų321.9 Ų21.91%0.01411%0.107CC..  trans-88.5124.7162.6-72.6162.5-66.500107.7T170 N171 S242 V243 G244 E248 A283T170-Q215 VanDerWaalsContact CB-O 3.28Å; T170-Q215 WeakPolarHBondContact CB-O 3.35Å; T170-Q215 HydrophobicContact CG2-CB 3.92Å; T170-Q215 PolarHBondContact OG1-O 3.49Å; N171-Q215 WeakPolarHBondContact CB-O 3.15Å; N171-Q215 PolarHBondContact N-O 3.08Å; Q215-S242 PolarHBondContact NE2-OG 2.96Å; Q215-V243 HydrophobicContact CB-CG2 3.8Å; Q215-V243 HydrophobicContact CG-CG2 4.03Å; Q215-V243 PolarHBondContact NE2-O 3.36Å; Q215-G244 PolarHBondContact NE2-O 3.14Å; Q215-E248 HydrophobicContact CG-CB 3.99Å; Q215-E248 HydrophobicContact CG-CG 4.13Å; Q215-A283 PolarHBondContact NE2-O 3.14Å; Q215-A283 PolarHBondContact OE1-O 2.86Å
216F98.4Very high97Very high12 Ų1219.3 Ų19.35%0.0539%0.092CC..EExtended strand (participates in β ladder)trans-105.4137.4176-68.4-82.4000109.7N171 F173 V186 L187 R214 V249 I251 A254 F300N171-F216 HydrophobicContact CB-CD1 3.45Å; N171-F216 VanDerWaalsContact CB-CD1 3.45Å; N171-F216 HydrophobicContact CB-CE1 3.67Å; N171-F216 HydrophobicContact CB-CG 4.23Å; N171-F216 CarbonylContact O-C 3.58Å; N171-F216 VanDerWaalsContact O-CA 3.27Å; N171-F216 WeakPolarHBondContact O-CA 3.35Å; F173-F216 HydrophobicContact CD1-CB 3.9Å; F173-F216 HydrophobicContact CD1-CD1 4.34Å; F173-F216 HydrophobicContact CE1-CB 3.76Å; V186-F216 HydrophobicContact CG1-CE1 4.03Å; V186-F216 HydrophobicContact CG1-CZ 3.99Å; L187-F216 HydrophobicContact CB-CD1 4.49Å; L187-F216 HydrophobicContact CB-CE1 3.95Å; L187-F216 HydrophobicContact CD2-CD1 3.89Å; L187-F216 HydrophobicContact CD2-CE1 4.07Å; L187-F216 HydrophobicContact CD2-CG 4.37Å; R214-F216 HydrophobicContact CB-CD2 4.22Å; R214-F216 HydrophobicContact CB-CE2 3.67Å; R214-F216 HydrophobicContact CB-CZ 3.84Å; R214-F216 HydrophobicContact CG-CE2 4.48Å; R214-F216 HydrophobicContact CG-CZ 4.27Å; F216-V249 HydrophobicContact CD2-CG2 3.55Å; F216-V249 HydrophobicContact CE2-CG2 3.69Å; F216-I251 HydrophobicContact CZ-CD1 4.37Å; F216-A254 HydrophobicContact CE2-CB 4.2Å; F216-F300 HydrophobicContact CB-CD2 4.1Å; F216-F300 HydrophobicContact CB-CE2 3.86Å; F216-F300 AromaticContact CD2-CE2 3.91Å; F216-F300 HydrophobicContact CD2-CE2 3.91Å; F216-F300 HydrophobicContact CD2-CZ 4.31Å; F216-F300 AromaticContact CG-CE2 3.99Å; F216-F300 HydrophobicContact CG-CE2 3.99Å
217I98.8Very high97.1Very high0 Ų019.5 Ų19.50%09%0.093CC..EExtended strand (participates in β ladder)trans-120.8128.9175.5-174.6169.1000109.4P169 N171 V172 F173 D221 L222 L225 L241 F297P169-I217 HydrophobicContact CB-CG2 4.45Å; N171-I217 PolarHBondContact O-N 3.08Å; V172-I217 WeakPolarHBondContact CA-O 3.38Å; V172-I217 HydrophobicContact CB-CG2 4.36Å; V172-I217 HydrophobicContact CG2-CG2 3.96Å; F173-I217 WeakPolarHBondContact CD1-O 3.35Å; F173-I217 PolarHBondContact N-O 3.22Å; F173-I217 VanDerWaalsContact N-O 3.17Å; I217-D221 HydrophobicContact CG1-CB 4.49Å; I217-L222 HydrophobicContact CD1-CB 3.96Å; I217-L222 HydrophobicContact CD1-CD1 4.18Å; I217-L222 HydrophobicContact CG1-CB 4.16Å; I217-L225 HydrophobicContact CD1-CD1 4.19Å; I217-L241 HydrophobicContact CD1-CB 4.43Å; I217-L241 WeakPolarHBondContact CD1-O 3.19Å; I217-F297 HydrophobicContact CD1-CE1 3.87Å; I217-F297 HydrophobicContact CG1-CE1 4.24Å
218Y98.9Very high97.3Very high10 Ų1017.6 Ų17.64%0.0399%0.085CC..EExtended strand (participates in β ladder)trans-69.8136.7177.5-173.6-148.6000110.2F173 L220 D221 L222 T298 A303 E306F173-Y218 HydrophobicContact CD2-CD2 4.49Å; F173-Y218 HydrophobicContact CE2-CD2 4.17Å; F173-Y218 HydrophobicContact CZ-CD2 4.38Å; F173-Y218 WeakPolarHBondContact O-CD2 3.33Å; Y218-L220 HydrophobicContact CD1-CB 3.92Å; Y218-L220 HydrophobicContact CD1-CG 4.37Å; Y218-L220 HydrophobicContact CE1-CB 3.82Å; Y218-L220 HydrophobicContact CE1-CD1 3.69Å; Y218-L220 HydrophobicContact CE1-CG 3.82Å; Y218-L220 PolarHBondContact O-N 3.34Å; Y218-D221 PolarHBondContact O-N 3.07Å; Y218-D221 VanDerWaalsContact O-N 3.08Å; Y218-L222 PolarHBondContact O-N 2.64Å; Y218-T298 HydrophobicContact CD1-CG2 4.16Å; Y218-T298 HydrophobicContact CE1-CG2 4.46Å; Y218-A303 HydrophobicContact CD1-CB 3.74Å; Y218-A303 HydrophobicContact CD2-CB 3.81Å; Y218-A303 HydrophobicContact CE1-CB 4.16Å; Y218-A303 HydrophobicContact CE2-CB 4.27Å; Y218-A303 HydrophobicContact CG-CB 3.54Å; Y218-E306 WeakPolarHBondContact CE1-OE2 3.33Å; Y218-E306 PolarHBondContact OH-OE2 2.92Å
219S98.8Very high97.7Very high1 Ų117.6 Ų17.61%0.0079%0.085CC..Hα-helixtrans-58.2-34.3-176.263.70000113.3A20 F173 L222 A223A20-S219 VanDerWaalsContact CB-O 3.27Å; A20-S219 WeakPolarHBondContact CB-O 3.39Å; F173-S219 WeakPolarHBondContact O-CB 3.19Å; F173-S219 PolarHBondContact O-N 2.87Å; F173-S219 PolarHBondContact O-OG 3.18Å; S219-L222 PolarHBondContact O-N 2.65Å; S219-A223 WeakPolarHBondContact O-CB 3.43Å; S219-A223 PolarHBondContact O-N 2.88Å
220L98.8Very high97.9Very high16 Ų1615.4 Ų15.48%0.0847%0.07CC..Hα-helixtrans-70.1-38.9176.2-60.9-173.6000112.3A20 H23 V24 Y218 A223 R224A20-L220 HydrophobicContact CB-CD2 3.91Å; H23-L220 HydrophobicContact CB-CD2 4.23Å; V24-L220 HydrophobicContact CG2-CD2 4.31Å; Y218-L220 HydrophobicContact CD1-CB 3.92Å; Y218-L220 HydrophobicContact CD1-CG 4.37Å; Y218-L220 HydrophobicContact CE1-CB 3.82Å; Y218-L220 HydrophobicContact CE1-CD1 3.69Å; Y218-L220 HydrophobicContact CE1-CG 3.82Å; Y218-L220 PolarHBondContact O-N 3.34Å; L220-A223 WeakPolarHBondContact O-CB 3.27Å; L220-A223 PolarHBondContact O-N 3.25Å; L220-R224 WeakPolarHBondContact O-CG 3.44Å; L220-R224 PolarHBondContact O-N 2.95Å; L220-R224 VanDerWaalsContact O-N 3.08Å
221D98.9Very high98Very high2 Ų217.7 Ų17.71%0.0118%0.078CC..Hα-helixtrans-64.1-44.9173.2-65.5-24.6000110.9I217 Y218 A223 R224 L225 F295 F297 T298I217-D221 HydrophobicContact CG1-CB 4.49Å; Y218-D221 PolarHBondContact O-N 3.07Å; Y218-D221 VanDerWaalsContact O-N 3.08Å; D221-A223 VanDerWaalsContact C-N 3.29Å; D221-A223 PolarHBondContact O-N 3.16Å; D221-R224 PolarHBondContact O-N 2.99Å; D221-R224 IonicContact OD1-NH1 3.97Å; D221-R224 PolarHBondContact OD1-NH1 3.44Å; D221-L225 WeakPolarHBondContact O-CG 3.32Å; D221-L225 PolarHBondContact O-N 2.79Å; D221-F295 HydrophobicContact CB-CE1 4.44Å; D221-F295 HydrophobicContact CB-CZ 4.27Å; D221-F297 HydrophobicContact CB-CD1 4.02Å; D221-T298 PolarHBondContact OD1-N 2.58Å; D221-T298 PolarHBondContact OD1-OG1 3.07Å; D221-T298 WeakPolarHBondContact OD2-CB 3.35Å; D221-T298 PolarHBondContact OD2-N 2.84Å; D221-T298 PolarHBondContact OD2-OG1 3.15Å
222L98.9Very high98.1Very high0 Ų020.4 Ų20.40%09%0.085CC..Hα-helixtrans-60.3-40.3175.9178.258.5000111.4V17 P169 V172 I217 Y218 S219 L225 F226 L241V17-L222 HydrophobicContact CG1-CD2 4.25Å; V17-L222 HydrophobicContact CG2-CD2 3.95Å; P169-L222 HydrophobicContact CB-CD1 3.97Å; P169-L222 HydrophobicContact CB-CD2 3.79Å; P169-L222 HydrophobicContact CG-CD2 4.31Å; V172-L222 HydrophobicContact CB-CD2 4.31Å; V172-L222 HydrophobicContact CG1-CD2 3.72Å; V172-L222 HydrophobicContact CG2-CD2 3.52Å; I217-L222 HydrophobicContact CD1-CB 3.96Å; I217-L222 HydrophobicContact CD1-CD1 4.18Å; I217-L222 HydrophobicContact CG1-CB 4.16Å; Y218-L222 PolarHBondContact O-N 2.64Å; S219-L222 PolarHBondContact O-N 2.65Å; L222-L225 PolarHBondContact O-N 3.29Å; L222-F226 HydrophobicContact CD1-CD2 3.78Å; L222-F226 HydrophobicContact CD1-CE2 3.82Å; L222-F226 HydrophobicContact CD2-CE2 4.22Å; L222-F226 HydrophobicContact CG-CD2 3.81Å; L222-F226 HydrophobicContact CG-CE2 3.9Å; L222-F226 WeakPolarHBondContact O-CD2 3.46Å; L222-F226 PolarHBondContact O-N 2.97Å; L222-L241 HydrophobicContact CD1-CB 3.88Å; L222-L241 HydrophobicContact CD1-CD1 3.59Å; L222-L241 HydrophobicContact CD1-CG 4.41Å
223A98.9Very high98.3Very high0 Ų020.2 Ų20.20%08%0.084CC..Hα-helixtrans-60.7-46.817600000112A20 I21 V24 S219 L220 D221 L225 F226 L227A20-A223 VanDerWaalsContact C-CB 3.49Å; A20-A223 HydrophobicContact CB-CB 3.88Å; I21-A223 HydrophobicContact CB-CB 4.37Å; I21-A223 HydrophobicContact CG1-CB 3.69Å; V24-A223 HydrophobicContact CB-CB 4.33Å; V24-A223 HydrophobicContact CG2-CB 3.73Å; S219-A223 WeakPolarHBondContact O-CB 3.43Å; S219-A223 PolarHBondContact O-N 2.88Å; L220-A223 WeakPolarHBondContact O-CB 3.27Å; L220-A223 PolarHBondContact O-N 3.25Å; D221-A223 VanDerWaalsContact C-N 3.29Å; D221-A223 PolarHBondContact O-N 3.16Å; A223-L225 VanDerWaalsContact C-N 3.3Å; A223-L225 PolarHBondContact O-N 3.26Å; A223-F226 WeakPolarHBondContact O-CB 3.43Å; A223-F226 PolarHBondContact O-N 2.91Å; A223-F226 VanDerWaalsContact O-N 3.16Å; A223-L227 WeakPolarHBondContact O-CG 3.34Å; A223-L227 PolarHBondContact O-N 2.75Å
224R98.8Very high98.4Very high76 Ų7621 Ų2129%0.28710%0.097SC..Hα-helixtrans-58.6-42.4175.4-65.7172.5-162.9119.51.7111.6V24 E28 L220 D221 L227 W228 F295V24-R224 HydrophobicContact CG1-CG 3.85Å; V24-R224 HydrophobicContact CG2-CG 4.07Å; E28-R224 IonicContact OE1-CZ 3.99Å; E28-R224 IonicContact OE1-NH2 3.54Å; E28-R224 PolarHBondContact OE1-NH2 3.38Å; E28-R224 IonicContact OE2-CZ 3.73Å; E28-R224 VanDerWaalsContact OE2-CZ 3.22Å; E28-R224 IonicContact OE2-NE 2.69Å; E28-R224 PolarHBondContact OE2-NE 3.02Å; E28-R224 IonicContact OE2-NH2 3.16Å; E28-R224 PolarHBondContact OE2-NH2 3.42Å; L220-R224 WeakPolarHBondContact O-CG 3.44Å; L220-R224 PolarHBondContact O-N 2.95Å; L220-R224 VanDerWaalsContact O-N 3.08Å; D221-R224 PolarHBondContact O-N 2.99Å; D221-R224 IonicContact OD1-NH1 3.97Å; D221-R224 PolarHBondContact OD1-NH1 3.44Å; R224-L227 PolarHBondContact O-N 2.79Å; R224-W228 PolarHBondContact O-N 3.46Å; R224-W228 VanDerWaalsContact O-N 3.16Å; R224-F295 HydrophobicContact CB-CE2 4.22Å; R224-F295 HydrophobicContact CB-CZ 4.49Å
225L98.9Very high98.5Very high1 Ų122.2 Ų22.21%0.00510%0.104CC..Hα-helixtrans-66.3-39.3175.6-67.4174000112.4I217 D221 L222 A223 L227 W228 V229 L241 L288 L292 F295 F297I217-L225 HydrophobicContact CD1-CD1 4.19Å; D221-L225 WeakPolarHBondContact O-CG 3.32Å; D221-L225 PolarHBondContact O-N 2.79Å; L222-L225 PolarHBondContact O-N 3.29Å; A223-L225 VanDerWaalsContact C-N 3.3Å; A223-L225 PolarHBondContact O-N 3.26Å; L225-L227 VanDerWaalsContact C-N 3.34Å; L225-L227 PolarHBondContact O-N 2.95Å; L225-W228 PolarHBondContact O-N 3.49Å; L225-V229 WeakPolarHBondContact O-CG2 3.27Å; L225-V229 PolarHBondContact O-N 3.48Å; L225-L241 HydrophobicContact CB-CD1 3.83Å; L225-L241 HydrophobicContact CB-CD2 4.2Å; L225-L241 HydrophobicContact CD1-CB 4.22Å; L225-L241 HydrophobicContact CD1-CD2 4.27Å; L225-L288 HydrophobicContact CD1-CD2 4.11Å; L225-L288 HydrophobicContact CD2-CD1 3.92Å; L225-L292 HydrophobicContact CD2-CD1 3.68Å; L225-F295 HydrophobicContact CD1-CE1 4.04Å; L225-F295 HydrophobicContact CD1-CZ 4.19Å; L225-F295 HydrophobicContact CD2-CD1 4.11Å; L225-F295 HydrophobicContact CD2-CD2 3.83Å; L225-F295 HydrophobicContact CD2-CE1 4.02Å; L225-F295 HydrophobicContact CD2-CE2 3.72Å; L225-F295 HydrophobicContact CD2-CG 4.03Å; L225-F295 HydrophobicContact CD2-CZ 3.82Å; L225-F295 HydrophobicContact CG-CE1 4.03Å; L225-F295 HydrophobicContact CG-CE2 4.02Å; L225-F295 HydrophobicContact CG-CZ 3.71Å; L225-F297 HydrophobicContact CD1-CE1 3.84Å; L225-F297 HydrophobicContact CD1-CZ 4.05Å
226F98.8Very high98.5Very high0 Ų023 Ų230%011%0.109CC..Hα-helixtrans-59.5-43.2174-103.8-76.4000112.3V17 I21 I66 L68 V109 C111 V167 L222 A223 W228 V229 L230V17-F226 HydrophobicContact CG1-CD2 3.98Å; V17-F226 HydrophobicContact CG1-CE2 3.7Å; V17-F226 HydrophobicContact CG1-CZ 4.46Å; I21-F226 HydrophobicContact CD1-CB 3.98Å; I21-F226 HydrophobicContact CD1-CD2 4.32Å; I21-F226 HydrophobicContact CD1-CG 4.06Å; I21-F226 HydrophobicContact CG1-CB 4.39Å; I66-F226 HydrophobicContact CD1-CD1 4.43Å; I66-F226 HydrophobicContact CG2-CD1 3.71Å; I66-F226 HydrophobicContact CG2-CE1 3.68Å; L68-F226 HydrophobicContact CD2-CE1 3.78Å; L68-F226 HydrophobicContact CD2-CE2 4.05Å; L68-F226 HydrophobicContact CD2-CZ 3.43Å; L68-F226 VanDerWaalsContact CD2-CZ 3.43Å; V109-F226 HydrophobicContact CG1-CD1 4.1Å; V109-F226 HydrophobicContact CG1-CE1 3.93Å; C111-F226 HydrophobicContact CB-CZ 4Å; V167-F226 HydrophobicContact CG2-CD1 4.25Å; V167-F226 HydrophobicContact CG2-CD2 4.41Å; V167-F226 HydrophobicContact CG2-CE1 3.44Å; V167-F226 VanDerWaalsContact CG2-CE1 3.44Å; V167-F226 HydrophobicContact CG2-CE2 3.63Å; V167-F226 HydrophobicContact CG2-CZ 3.09Å; L222-F226 HydrophobicContact CD1-CD2 3.78Å; L222-F226 HydrophobicContact CD1-CE2 3.82Å; L222-F226 HydrophobicContact CD2-CE2 4.22Å; L222-F226 HydrophobicContact CG-CD2 3.81Å; L222-F226 HydrophobicContact CG-CE2 3.9Å; L222-F226 WeakPolarHBondContact O-CD2 3.46Å; L222-F226 PolarHBondContact O-N 2.97Å; A223-F226 WeakPolarHBondContact O-CB 3.43Å; A223-F226 PolarHBondContact O-N 2.91Å; A223-F226 VanDerWaalsContact O-N 3.16Å; F226-W228 VanDerWaalsContact C-N 3.31Å; F226-W228 PolarHBondContact O-N 2.92Å; F226-V229 PolarHBondContact O-N 3.1Å; F226-L230 WeakPolarHBondContact O-CB 3.37Å; F226-L230 PolarHBondContact O-N 3.47Å
227L98.7Very high98.5Very high6 Ų626 Ų263%0.03113%0.126CC..Hα-helixtrans-61.2-42.3176.2-63.4-172.4000111.1I21 V24 I25 W37 A223 R224 L225 R231I21-L227 HydrophobicContact CG2-CD2 4.2Å; V24-L227 HydrophobicContact CG1-CD1 3.67Å; I25-L227 HydrophobicContact CD1-CD2 4.05Å; I25-L227 HydrophobicContact CG1-CD1 4.1Å; I25-L227 HydrophobicContact CG1-CD2 4.13Å; W37-L227 HydrophobicContact CH2-CD2 3.25Å; W37-L227 HydrophobicContact CZ2-CD2 3.76Å; W37-L227 HydrophobicContact CZ3-CD2 4Å; A223-L227 WeakPolarHBondContact O-CG 3.34Å; A223-L227 PolarHBondContact O-N 2.75Å; R224-L227 PolarHBondContact O-N 2.79Å; L225-L227 VanDerWaalsContact C-N 3.34Å; L225-L227 PolarHBondContact O-N 2.95Å; L227-R231 WeakPolarHBondContact O-CB 3.44Å; L227-R231 VanDerWaalsContact O-CD 3.28Å; L227-R231 WeakPolarHBondContact O-CD 3.39Å; L227-R231 VanDerWaalsContact O-CG 3.23Å; L227-R231 WeakPolarHBondContact O-CG 3.43Å; L227-R231 PolarHBondContact O-N 3.47Å
228W98.7Very high98.5Very high43 Ų4326.1 Ų26.116%0.16313%0.126CC..Hα-helixtrans-63.9-47.1174.4172.583.3000111.9R224 L225 F226 L230 R231 E232 Y233 I239 Y291 L292R224-W228 PolarHBondContact O-N 3.46Å; R224-W228 VanDerWaalsContact O-N 3.16Å; L225-W228 PolarHBondContact O-N 3.49Å; F226-W228 VanDerWaalsContact C-N 3.31Å; F226-W228 PolarHBondContact O-N 2.92Å; W228-L230 VanDerWaalsContact C-N 3.3Å; W228-L230 PolarHBondContact O-N 2.96Å; W228-R231 PolarHBondContact O-N 3.36Å; W228-R231 VanDerWaalsContact O-N 3.14Å; W228-E232 HydrophobicContact CG-CG 4.49Å; W228-E232 PolarHBondContact O-N 2.7Å; W228-Y233 AromaticContact CH2-CD2 3.79Å; W228-Y233 HydrophobicContact CH2-CD2 3.79Å; W228-Y233 HydrophobicContact CH2-CG 4.26Å; W228-Y233 HydrophobicContact CZ3-CD2 4.25Å; W228-Y233 HydrophobicContact CZ3-CG 4.37Å; W228-I239 HydrophobicContact CH2-CD1 4.31Å; W228-I239 HydrophobicContact CZ3-CD1 4.1Å; W228-Y291 AromaticContact CH2-CD1 3.82Å; W228-Y291 HydrophobicContact CH2-CD1 3.82Å; W228-Y291 HydrophobicContact CH2-CD2 4.17Å; W228-Y291 AromaticContact CH2-CG 3.57Å; W228-Y291 HydrophobicContact CH2-CG 3.57Å; W228-Y291 AromaticContact CZ2-CD1 3.66Å; W228-Y291 HydrophobicContact CZ2-CD1 3.66Å; W228-Y291 AromaticContact CZ2-CG 3.77Å; W228-Y291 HydrophobicContact CZ2-CG 3.77Å; W228-L292 HydrophobicContact CB-CD1 4.49Å; W228-L292 HydrophobicContact CD2-CD1 3.62Å; W228-L292 HydrophobicContact CD2-CD2 4.45Å; W228-L292 HydrophobicContact CD2-CG 4.17Å; W228-L292 HydrophobicContact CE3-CD1 3.89Å; W228-L292 HydrophobicContact CG-CD1 3.86Å; W228-L292 HydrophobicContact CG-CD2 4.44Å; W228-L292 HydrophobicContact CZ2-CG 4.29Å; W228-L292 HydrophobicContact CZ3-CD1 4.46Å
229V98.8Very high98.5Very high0 Ų025.6 Ų25.60%012%0.124CC..Hα-helixtrans-58.5-44.9178.8171.50000110.6K107 V109 T165 V167 L225 F226 R231 Y233 I239 L241K107-V229 WeakPolarHBondContact CE-O 3.35Å; K107-V229 PolarHBondContact NZ-O 3.14Å; V109-V229 HydrophobicContact CG1-CG1 3.64Å; V109-V229 HydrophobicContact CG2-CG1 3.99Å; T165-V229 HydrophobicContact CG2-CG1 4.5Å; V167-V229 HydrophobicContact CG1-CB 4.1Å; V167-V229 HydrophobicContact CG1-CG1 3.72Å; V167-V229 HydrophobicContact CG1-CG2 3.78Å; L225-V229 WeakPolarHBondContact O-CG2 3.27Å; L225-V229 PolarHBondContact O-N 3.48Å; F226-V229 PolarHBondContact O-N 3.1Å; V229-R231 VanDerWaalsContact C-N 3.3Å; V229-R231 PolarHBondContact O-N 2.97Å; V229-Y233 HydrophobicContact CG1-CD1 4.07Å; V229-Y233 HydrophobicContact CG1-CG 4.4Å; V229-Y233 WeakPolarHBondContact O-CB 3.44Å; V229-Y233 PolarHBondContact O-N 3.29Å; V229-I239 HydrophobicContact CG2-CG2 4.06Å; V229-L241 HydrophobicContact CG2-CD1 4.34Å; V229-L241 HydrophobicContact CG2-CD2 4.3Å
230L98.4Very high98.5Very high1 Ų125.6 Ų25.61%0.00512%0.124CC..Hα-helixtrans-58-44.9178.3-171.269.7000111.6V8 W37 H64 I66 K107 V109 F226 W228V8-L230 HydrophobicContact CB-CD2 4.39Å; V8-L230 HydrophobicContact CG1-CD2 3.59Å; V8-L230 HydrophobicContact CG2-CD2 3.85Å; W37-L230 HydrophobicContact CH2-CD2 3.78Å; W37-L230 HydrophobicContact CZ3-CD2 4.39Å; H64-L230 HydrophobicContact CB-CD1 4.09Å; H64-L230 HydrophobicContact CB-CD2 4.49Å; I66-L230 HydrophobicContact CD1-CD2 4.1Å; I66-L230 HydrophobicContact CG1-CD1 4Å; I66-L230 HydrophobicContact CG1-CD2 4.15Å; K107-L230 WeakPolarHBondContact CD-O 3.32Å; K107-L230 WeakPolarHBondContact CE-O 3.28Å; K107-L230 PolarHBondContact NZ-O 2.91Å; V109-L230 HydrophobicContact CG2-CD1 3.78Å; F226-L230 WeakPolarHBondContact O-CB 3.37Å; F226-L230 PolarHBondContact O-N 3.47Å; W228-L230 VanDerWaalsContact C-N 3.3Å; W228-L230 PolarHBondContact O-N 2.96Å
231R97.6Very high98.5Very high49 Ų4924.8 Ų24.819%0.18512%0.12CC..Hα-helixtrans-83-38.9-171.5-68165.6175.4155.62.2113.6G30 E35 L227 W228 V229G30-R231 PolarHBondContact O-NH1 2.76Å; G30-R231 PolarHBondContact O-NH2 3.33Å; E35-R231 IonicContact OE1-CZ 2.98Å; E35-R231 VanDerWaalsContact OE1-CZ 3.28Å; E35-R231 IonicContact OE1-NE 2.82Å; E35-R231 PolarHBondContact OE1-NE 3.44Å; E35-R231 IonicContact OE1-NH2 3.64Å; E35-R231 PolarHBondContact OE1-NH2 3.4Å; E35-R231 IonicContact OE2-CZ 3.47Å; E35-R231 IonicContact OE2-NH2 3.17Å; E35-R231 PolarHBondContact OE2-NH2 2.79Å; L227-R231 WeakPolarHBondContact O-CB 3.44Å; L227-R231 VanDerWaalsContact O-CD 3.28Å; L227-R231 WeakPolarHBondContact O-CD 3.39Å; L227-R231 VanDerWaalsContact O-CG 3.23Å; L227-R231 WeakPolarHBondContact O-CG 3.43Å; L227-R231 PolarHBondContact O-N 3.47Å; W228-R231 PolarHBondContact O-N 3.36Å; W228-R231 VanDerWaalsContact O-N 3.14Å; V229-R231 VanDerWaalsContact C-N 3.3Å; V229-R231 PolarHBondContact O-N 2.97Å
232E98Very high98.5Very high111 Ų11124.7 Ų24.752%0.51912%0.12SC..Hα-helixtrans-123.5-29.4-162-48.9-59.4154.400114K32 W228 P234K32-E232 IonicContact NZ-OE1 2.93Å; W228-E232 HydrophobicContact CG-CG 4.49Å; W228-E232 PolarHBondContact O-N 2.7Å; E232-P234 WeakPolarHBondContact O-CD 3.41Å
233Y98.4Very high98.5Very high0 Ų025.2 Ų25.20%012%0.122CC..  trans-72121.4-173.5-174.8-120.7000111.9K107 T165 W228 V229 E235 D237 P238 I239 K287 Y291K107-Y233 WeakPolarHBondContact CE-O 3.4Å; K107-Y233 PolarHBondContact NZ-O 2.88Å; T165-Y233 HydrophobicContact CG2-CD1 4.4Å; W228-Y233 AromaticContact CH2-CD2 3.79Å; W228-Y233 HydrophobicContact CH2-CD2 3.79Å; W228-Y233 HydrophobicContact CH2-CG 4.26Å; W228-Y233 HydrophobicContact CZ3-CD2 4.25Å; W228-Y233 HydrophobicContact CZ3-CG 4.37Å; V229-Y233 HydrophobicContact CG1-CD1 4.07Å; V229-Y233 HydrophobicContact CG1-CG 4.4Å; V229-Y233 WeakPolarHBondContact O-CB 3.44Å; V229-Y233 PolarHBondContact O-N 3.29Å; Y233-E235 HydrophobicContact CE1-CB 3.91Å; Y233-E235 HydrophobicContact CE2-CB 4.06Å; Y233-E235 HydrophobicContact CE2-CG 3.98Å; Y233-E235 WeakPolarHBondContact OH-CB 3.48Å; Y233-E235 PolarHBondContact OH-OE2 2.9Å; Y233-D237 WeakPolarHBondContact CE1-O 3.49Å; Y233-D237 PolarHBondContact OH-O 3.37Å; Y233-D237 VanDerWaalsContact OH-O 3.06Å; Y233-P238 PolarHBondContact OH-O 2.95Å; Y233-I239 HydrophobicContact CD1-CG2 4.12Å; Y233-I239 HydrophobicContact CD2-CD1 4.24Å; Y233-I239 HydrophobicContact CE1-CB 3.95Å; Y233-I239 HydrophobicContact CE1-CG2 3.81Å; Y233-I239 HydrophobicContact CE2-CB 4.33Å; Y233-I239 HydrophobicContact CE2-CD1 3.89Å; Y233-K287 HydrophobicContact CE2-CD 4.48Å; Y233-K287 WeakPolarHBondContact OH-CD 3.33Å; Y233-K287 PolarHBondContact OH-NZ 3Å; Y233-Y291 HydrophobicContact CD2-CD2 4.44Å; Y233-Y291 HydrophobicContact CD2-CE1 4.34Å; Y233-Y291 HydrophobicContact CD2-CE2 4.03Å; Y233-Y291 AromaticContact CD2-CZ 3.96Å; Y233-Y291 HydrophobicContact CE2-CD2 4.23Å; Y233-Y291 AromaticContact CE2-CE2 3.59Å; Y233-Y291 HydrophobicContact CE2-CE2 3.59Å; Y233-Y291 AromaticContact CE2-CZ 3.8Å
234P96.6Very high98.4Very high84 Ų8425.2 Ų25.255%0.54512%0.122SC..  trans-97.6-11.9-168.536.7-35.1000114.5E232E232-P234 WeakPolarHBondContact O-CD 3.41Å
235E98.2Very high98.3Very high52 Ų5224.9 Ų24.924%0.24312%0.124CC..  trans-85147.7-170.5-57.6168.9-14300112.5T165 Y233 K287 Y291T165-E235 WeakPolarHBondContact CB-O 3.37Å; T165-E235 PolarHBondContact OG1-O 3.17Å; Y233-E235 HydrophobicContact CE1-CB 3.91Å; Y233-E235 HydrophobicContact CE2-CB 4.06Å; Y233-E235 HydrophobicContact CE2-CG 3.98Å; Y233-E235 WeakPolarHBondContact OH-CB 3.48Å; Y233-E235 PolarHBondContact OH-OE2 2.9Å; E235-K287 IonicContact OE2-NZ 2.83Å; E235-K287 PolarHBondContact OE2-NZ 2.89Å; E235-Y291 WeakPolarHBondContact OE1-CE2 3.37Å; E235-Y291 PolarHBondContact OE1-OH 2.95Å
236V98.1Very high98.2Very high18 Ų1832.1 Ų32.111%0.10916%0.158CC..SBendtrans-75.4-35.3168.7175.80000110.7N153 R154 Y157 T165N153-V236 HydrophobicContact CB-CG1 4.42Å; R154-V236 HydrophobicContact CG-CG1 4.26Å; Y157-V236 HydrophobicContact CD1-CG2 3.89Å; Y157-V236 HydrophobicContact CD2-CG2 3.37Å; Y157-V236 HydrophobicContact CE1-CG2 4.29Å; Y157-V236 HydrophobicContact CE2-CG2 3.83Å; Y157-V236 HydrophobicContact CG-CB 4.45Å; Y157-V236 HydrophobicContact CG-CG1 4.42Å; Y157-V236 HydrophobicContact CG-CG2 3.39Å; T165-V236 PolarHBondContact OG1-O 2.79Å
237D98.3Very high98.1Very high77 Ų7736 Ų3641%0.41218%0.176SC..SBendtrans-59.9141.8175.5-72.4-33.8000109.8R154 T165 Y233R154-D237 IonicContact NH2-OD1 3.52Å; T165-D237 PolarHBondContact OG1-O 3.44Å; Y233-D237 WeakPolarHBondContact CE1-O 3.49Å; Y233-D237 PolarHBondContact OH-O 3.37Å; Y233-D237 VanDerWaalsContact OH-O 3.06Å
238P98.7Very high98Very high1 Ų136.1 Ų36.11%0.00618%0.177CC..  trans-63.6165.3178.6-24.535.6000113.3L112 E127 I130 D150 A166 I168 Y233 K287L112-P238 HydrophobicContact CD1-CB 4.21Å; L112-P238 HydrophobicContact CD1-CG 3.98Å; E127-P238 WeakPolarHBondContact CG-O 3.19Å; I130-P238 HydrophobicContact CD1-CB 4.3Å; I130-P238 HydrophobicContact CD1-CG 3.81Å; D150-P238 HydrophobicContact CB-CG 4.42Å; D150-P238 WeakPolarHBondContact OD1-CD 3.33Å; D150-P238 WeakPolarHBondContact OD1-CG 3.34Å; A166-P238 WeakPolarHBondContact O-CA 3.42Å; A166-P238 WeakPolarHBondContact O-CB 3.35Å; I168-P238 HydrophobicContact CD1-CB 3.65Å; I168-P238 HydrophobicContact CD1-CG 4.49Å; I168-P238 HydrophobicContact CG1-CB 3.99Å; Y233-P238 PolarHBondContact OH-O 2.95Å; P238-K287 PolarHBondContact O-NZ 3.05Å
239I98.9Very high97.9Very high0 Ų035.3 Ų35.30%018%0.176CC..EExtended strand (participates in β ladder)trans-128.5131.7171.1-172.8163.6000111.6E127 A166 V167 I168 W228 V229 Y233 L241 K287 L288 Y291E127-I239 WeakPolarHBondContact OE1-CA 3.37Å; A166-I239 PolarHBondContact O-N 2.89Å; A166-I239 VanDerWaalsContact O-N 3.13Å; V167-I239 CarbonylContact C-O 3.6Å; V167-I239 WeakPolarHBondContact CA-O 3.42Å; V167-I239 HydrophobicContact CG1-CG2 3.99Å; I168-I239 PolarHBondContact N-O 3.44Å; W228-I239 HydrophobicContact CH2-CD1 4.31Å; W228-I239 HydrophobicContact CZ3-CD1 4.1Å; V229-I239 HydrophobicContact CG2-CG2 4.06Å; Y233-I239 HydrophobicContact CD1-CG2 4.12Å; Y233-I239 HydrophobicContact CD2-CD1 4.24Å; Y233-I239 HydrophobicContact CE1-CB 3.95Å; Y233-I239 HydrophobicContact CE1-CG2 3.81Å; Y233-I239 HydrophobicContact CE2-CB 4.33Å; Y233-I239 HydrophobicContact CE2-CD1 3.89Å; I239-L241 HydrophobicContact CG1-CD2 4.39Å; I239-L241 HydrophobicContact CG2-CD2 4.18Å; I239-L241 PolarHBondContact O-N 3.06Å; I239-K287 HydrophobicContact CB-CD 4.17Å; I239-K287 HydrophobicContact CD1-CD 4.1Å; I239-K287 HydrophobicContact CD1-CG 4.07Å; I239-K287 HydrophobicContact CG1-CB 4.48Å; I239-K287 HydrophobicContact CG1-CD 3.93Å; I239-K287 HydrophobicContact CG1-CG 4.2Å; I239-L288 HydrophobicContact CD1-CB 4.44Å; I239-Y291 HydrophobicContact CD1-CD2 4.23Å
240I98.9Very high97.9Very high0 Ų036 Ų360%018%0.181CC..EExtended strand (participates in β ladder)trans-74124173.1-74.1155.6000109.5F117 E127 I168 A283F117-I240 HydrophobicContact CZ-CD1 4.18Å; E127-I240 HydrophobicContact CG-CB 4.42Å; E127-I240 HydrophobicContact CG-CD1 3.81Å; E127-I240 HydrophobicContact CG-CG1 3.8Å; E127-I240 PolarHBondContact OE1-N 3.38Å; I168-I240 HydrophobicContact CB-CG1 3.96Å; I168-I240 HydrophobicContact CD1-CG1 4.15Å; I168-I240 HydrophobicContact CG2-CG1 4.3Å; I168-I240 WeakPolarHBondContact O-CA 3.35Å; I240-A283 HydrophobicContact CD1-CB 4.26Å; I240-A283 HydrophobicContact CG2-CB 4.04Å
241L98.9Very high97.8Very high0 Ų036.5 Ų36.50%018%0.184CC..EExtended strand (participates in β ladder)trans-106.291.7173.8-59.1-173.1000108.8V167 I168 P169 I217 L222 L225 V229 I239 L288V167-L241 HydrophobicContact CB-CD1 3.62Å; V167-L241 HydrophobicContact CB-CG 3.93Å; V167-L241 HydrophobicContact CG1-CD1 3.62Å; V167-L241 HydrophobicContact CG1-CG 4.14Å; V167-L241 HydrophobicContact CG2-CD1 4.07Å; I168-L241 PolarHBondContact O-N 2.98Å; P169-L241 WeakPolarHBondContact CA-O 3.46Å; I217-L241 HydrophobicContact CD1-CB 4.43Å; I217-L241 WeakPolarHBondContact CD1-O 3.19Å; L222-L241 HydrophobicContact CD1-CB 3.88Å; L222-L241 HydrophobicContact CD1-CD1 3.59Å; L222-L241 HydrophobicContact CD1-CG 4.41Å; L225-L241 HydrophobicContact CB-CD1 3.83Å; L225-L241 HydrophobicContact CB-CD2 4.2Å; L225-L241 HydrophobicContact CD1-CB 4.22Å; L225-L241 HydrophobicContact CD1-CD2 4.27Å; V229-L241 HydrophobicContact CG2-CD1 4.34Å; V229-L241 HydrophobicContact CG2-CD2 4.3Å; I239-L241 HydrophobicContact CG1-CD2 4.39Å; I239-L241 HydrophobicContact CG2-CD2 4.18Å; I239-L241 PolarHBondContact O-N 3.06Å; L241-L288 HydrophobicContact CD2-CD1 4.1Å; L241-L288 HydrophobicContact CD2-CD2 4.39Å
242S98.7Very high97.8Very high0 Ų039 Ų390%020%0.196CC..  trans-146.2154.7-176.1-174.20000112.1T170 Q215 N285 F297T170-S242 VanDerWaalsContact CG2-OG 3.24Å; T170-S242 WeakPolarHBondContact CG2-OG 3.43Å; T170-S242 PolarHBondContact OG1-OG 2.81Å; Q215-S242 PolarHBondContact NE2-OG 2.96Å; S242-N285 VanDerWaalsContact O-CB 3.31Å; S242-N285 WeakPolarHBondContact O-CB 3.27Å; S242-N285 PolarHBondContact O-ND2 3Å; S242-F297 VanDerWaalsContact O-CZ 3.25Å; S242-F297 WeakPolarHBondContact O-CZ 3.46Å
243V98.4Very high97.8Very high10 Ų1037.1 Ų37.16%0.06119%0.187CC..  trans-56.6166.9157.9-64.10000111.2Q215 E247 N285 F297Q215-V243 HydrophobicContact CB-CG2 3.8Å; Q215-V243 HydrophobicContact CG-CG2 4.03Å; Q215-V243 PolarHBondContact NE2-O 3.36Å; V243-E247 HydrophobicContact CB-CB 3.91Å; V243-E247 HydrophobicContact CB-CG 4.43Å; V243-E247 WeakPolarHBondContact CB-OE1 3.49Å; V243-E247 HydrophobicContact CG2-CB 3.95Å; V243-N285 VanDerWaalsContact C-ND2 3.27Å; V243-N285 PolarHBondContact O-ND2 3.35Å; V243-F297 HydrophobicContact CG1-CB 4.16Å; V243-F297 HydrophobicContact CG1-CD1 3.89Å; V243-F297 HydrophobicContact CG1-CD2 4.22Å; V243-F297 HydrophobicContact CG1-CE1 4.34Å; V243-F297 HydrophobicContact CG1-CG 3.82Å
244G97.6Very high97.8Very high0 Ų037.1 Ų37.10%019%0.187CC..  trans-61.2166178.500000113.8Q215 E246 E247 N285Q215-G244 PolarHBondContact NE2-O 3.14Å; G244-E246 VanDerWaalsContact C-N 3.26Å; G244-E246 WeakPolarHBondContact CA-OE2 3.49Å; G244-E247 PolarHBondContact N-OE1 3.43Å; G244-E247 PolarHBondContact O-N 3.19Å; G244-N285 WeakPolarHBondContact CA-ND2 3.42Å; G244-N285 PolarHBondContact N-ND2 3.5Å
245E97.6Very high97.9Very high69 Ų6933.2 Ų33.232%0.32216%0.162SC..G310 helixtrans-68-32.5176.2-62.6171.6-14400110.9P124 E247 E248 T282 S284P124-E245 HydrophobicContact CB-CG 4.19Å; P124-E245 WeakPolarHBondContact CB-OE1 3.36Å; P124-E245 WeakPolarHBondContact CB-OE2 3.37Å; P124-E245 VanDerWaalsContact CG-OE1 3.25Å; P124-E245 WeakPolarHBondContact CG-OE1 3.39Å; P124-E245 WeakPolarHBondContact CG-OE2 3.28Å; E245-E247 PolarHBondContact O-N 3.32Å; E245-E248 WeakPolarHBondContact O-CB 3.31Å; E245-E248 PolarHBondContact O-N 2.54Å; E245-T282 HydrophobicContact CB-CG2 4.01Å; E245-T282 HydrophobicContact CG-CG2 3.97Å; E245-S284 WeakPolarHBondContact OE1-CA 3.5Å; E245-S284 WeakPolarHBondContact OE1-CB 3.28Å; E245-S284 PolarHBondContact OE1-OG 2.93Å
246E96.7Very high97.8Very high154 Ų15434.9 Ų34.972%0.7217%0.17SC*.G310 helixtrans-68.7-19.2174.871.8-75.2-178.400113.8G244G244-E246 VanDerWaalsContact C-N 3.26Å; G244-E246 WeakPolarHBondContact CA-OE2 3.49Å
247E96.4Very high97.9Very high80 Ų8034 Ų3437%0.37416%0.164SC..G310 helixtrans-934.4179.5-58.5-173.9-94.900112.5V243 G244 E245V243-E247 HydrophobicContact CB-CB 3.91Å; V243-E247 HydrophobicContact CB-CG 4.43Å; V243-E247 WeakPolarHBondContact CB-OE1 3.49Å; V243-E247 HydrophobicContact CG2-CB 3.95Å; G244-E247 PolarHBondContact N-OE1 3.43Å; G244-E247 PolarHBondContact O-N 3.19Å; E245-E247 PolarHBondContact O-N 3.32Å
248E96.3Very high97.9Very high10 Ų1030.4 Ų30.45%0.04715%0.145CC..  trans-62.3135.5174.3-166.1-173.8-122.600110.5R213 Q215 E245 T282R213-E248 HydrophobicContact CB-CG 3.74Å; R213-E248 WeakPolarHBondContact CB-OE2 3.27Å; R213-E248 VanDerWaalsContact CD-OE2 3.31Å; R213-E248 WeakPolarHBondContact CD-OE2 3.37Å; R213-E248 IonicContact NE-OE2 3.11Å; R213-E248 PolarHBondContact NE-OE2 3.36Å; R213-E248 VanDerWaalsContact NE-OE2 3.11Å; R213-E248 PolarHBondContact NH2-O 3.15Å; Q215-E248 HydrophobicContact CG-CB 3.99Å; Q215-E248 HydrophobicContact CG-CG 4.13Å; E245-E248 WeakPolarHBondContact O-CB 3.31Å; E245-E248 PolarHBondContact O-N 2.54Å; E248-T282 PolarHBondContact OE1-OG1 2.85Å
249V97.3Very high97.8Very high26 Ų2631.7 Ų31.716%0.15815%0.153CC..EExtended strand (participates in β ladder)trans-124.2149.3177.9-60.70000111.3R213 R214 F216 E253 F300R213-V249 CarbonylContact C-O 3.17Å; R213-V249 WeakPolarHBondContact CA-O 3.47Å; R214-V249 PolarHBondContact N-O 3.02Å; R214-V249 PolarHBondContact O-N 3.2Å; F216-V249 HydrophobicContact CD2-CG2 3.55Å; F216-V249 HydrophobicContact CE2-CG2 3.69Å; V249-E253 HydrophobicContact CB-CB 4.21Å; V249-F300 HydrophobicContact CG2-CE1 4.34Å; V249-F300 HydrophobicContact CG2-CZ 4.29Å
250S97.7Very high97.8Very high13 Ų1337.1 Ų37.19%0.09118%0.178CC..EExtended strand (participates in β ladder)trans-73.4159172.663.80000111.9P212 K252 E253 A254P212-S250 CarbonylContact O-C 3.58Å; P212-S250 VanDerWaalsContact O-CA 3.27Å; P212-S250 WeakPolarHBondContact O-CA 3.49Å; S250-K252 PolarHBondContact O-N 3.5Å; S250-E253 VanDerWaalsContact CB-OE2 3.29Å; S250-E253 WeakPolarHBondContact CB-OE2 3.43Å; S250-E253 PolarHBondContact N-OE2 2.98Å; S250-E253 PolarHBondContact O-N 3.35Å; S250-E253 WeakPolarHBondContact OG-CB 3.25Å; S250-E253 VanDerWaalsContact OG-CD 3.3Å; S250-E253 VanDerWaalsContact OG-CG 3.26Å; S250-E253 WeakPolarHBondContact OG-CG 3.34Å; S250-E253 PolarHBondContact OG-N 3.12Å; S250-E253 VanDerWaalsContact OG-N 3.07Å; S250-E253 PolarHBondContact OG-OE2 3.46Å; S250-A254 WeakPolarHBondContact O-CB 3.49Å; S250-A254 PolarHBondContact O-N 3.44Å
251I96.8Very high97.7Very high13 Ų1337.6 Ų37.67%0.06718%0.181CC..Hα-helixtrans-61-31.7172.1-61.2-48.2000111.2V186 L190 V206 G210 P212 R214 F216 A254 A255V186-I251 HydrophobicContact CG1-CD1 4.03Å; V186-I251 HydrophobicContact CG2-CD1 3.87Å; V186-I251 HydrophobicContact CG2-CG1 4.5Å; V186-I251 HydrophobicContact CG2-CG2 4.13Å; L190-I251 HydrophobicContact CD1-CG2 4.44Å; V206-I251 HydrophobicContact CG1-CG2 4.05Å; G210-I251 PolarHBondContact O-N 2.79Å; P212-I251 HydrophobicContact CB-CG1 4.24Å; P212-I251 PolarHBondContact O-N 3.03Å; R214-I251 HydrophobicContact CG-CD1 3.93Å; F216-I251 HydrophobicContact CZ-CD1 4.37Å; I251-A254 PolarHBondContact O-N 2.86Å; I251-A255 WeakPolarHBondContact O-CB 3.44Å; I251-A255 PolarHBondContact O-N 3.18Å
252K97.6Very high97.6Very high100 Ų10038.4 Ų38.444%0.43519%0.185SC..Hα-helixtrans-62.5-52.3171.7171.8162.6-176.1-173.70112.1G210 S250 A254 A255 E256 Y270G210-K252 PolarHBondContact O-N 3.12Å; S250-K252 PolarHBondContact O-N 3.5Å; K252-A254 VanDerWaalsContact C-N 3.26Å; K252-A254 PolarHBondContact O-N 3.19Å; K252-A255 PolarHBondContact O-N 3.12Å; K252-A255 VanDerWaalsContact O-N 3.14Å; K252-E256 WeakPolarHBondContact CE-OE1 3.46Å; K252-E256 WeakPolarHBondContact CG-OE1 3.47Å; K252-E256 WeakPolarHBondContact O-CG 3.45Å; K252-E256 PolarHBondContact O-N 2.72Å; K252-Y270 HydrophobicContact CB-CE1 4.39Å; K252-Y270 WeakPolarHBondContact CG-OH 3.39Å
253E98.2Very high97.5Very high73 Ų7341.9 Ų41.934%0.34121%0.21SC..Hα-helixtrans-59.8-37.7176.9-73.2159.6138.200111.6R213 V249 S250 E256 A257R213-E253 IonicContact CZ-OE2 4Å; R213-E253 IonicContact NH1-OE2 3.36Å; R213-E253 PolarHBondContact NH1-OE2 3.44Å; R213-E253 IonicContact NH2-OE2 3.86Å; V249-E253 HydrophobicContact CB-CB 4.21Å; S250-E253 VanDerWaalsContact CB-OE2 3.29Å; S250-E253 WeakPolarHBondContact CB-OE2 3.43Å; S250-E253 PolarHBondContact N-OE2 2.98Å; S250-E253 PolarHBondContact O-N 3.35Å; S250-E253 WeakPolarHBondContact OG-CB 3.25Å; S250-E253 VanDerWaalsContact OG-CD 3.3Å; S250-E253 VanDerWaalsContact OG-CG 3.26Å; S250-E253 WeakPolarHBondContact OG-CG 3.34Å; S250-E253 PolarHBondContact OG-N 3.12Å; S250-E253 VanDerWaalsContact OG-N 3.07Å; S250-E253 PolarHBondContact OG-OE2 3.46Å; E253-E256 PolarHBondContact O-N 3.15Å; E253-A257 WeakPolarHBondContact O-CB 3.27Å; E253-A257 PolarHBondContact O-N 3.35Å
254A98Very high97.4Very high0 Ų041.9 Ų41.90%021%0.209CC..Hα-helixtrans-65.4-43.6174.600000112.4L187 F216 S250 I251 K252 A257 V258 F300L187-A254 HydrophobicContact CD1-CB 4.09Å; F216-A254 HydrophobicContact CE2-CB 4.2Å; S250-A254 WeakPolarHBondContact O-CB 3.49Å; S250-A254 PolarHBondContact O-N 3.44Å; I251-A254 PolarHBondContact O-N 2.86Å; K252-A254 VanDerWaalsContact C-N 3.26Å; K252-A254 PolarHBondContact O-N 3.19Å; A254-A257 PolarHBondContact O-N 2.78Å; A254-V258 WeakPolarHBondContact O-CG2 3.25Å; A254-V258 PolarHBondContact O-N 3.13Å; A254-F300 HydrophobicContact CB-CZ 4.25Å
255A97.9Very high97.2Very high1 Ų150.9 Ų50.91%0.00825%0.248CC..Hα-helixtrans-63.5-41.7175.700000111.8L190 V206 I251 K252 A257 V258 V259L190-A255 HydrophobicContact CD1-CB 4.27Å; L190-A255 HydrophobicContact CD2-CB 4.43Å; V206-A255 HydrophobicContact CG2-CB 3.95Å; I251-A255 WeakPolarHBondContact O-CB 3.44Å; I251-A255 PolarHBondContact O-N 3.18Å; K252-A255 PolarHBondContact O-N 3.12Å; K252-A255 VanDerWaalsContact O-N 3.14Å; A255-A257 VanDerWaalsContact C-N 3.32Å; A255-A257 PolarHBondContact O-N 2.74Å; A255-V258 WeakPolarHBondContact O-CB 3.49Å; A255-V258 PolarHBondContact O-N 3.21Å; A255-V259 WeakPolarHBondContact O-CG2 3.23Å; A255-V259 PolarHBondContact O-N 2.74Å
256E97.9Very high97.1Very high88 Ų8849.5 Ų49.541%0.41125%0.252SS..Hα-helixtrans-59.9-42.2174.3-71.4167.8-178.100111.6K252 E253 V258 V259 E260K252-E256 WeakPolarHBondContact CE-OE1 3.46Å; K252-E256 WeakPolarHBondContact CG-OE1 3.47Å; K252-E256 WeakPolarHBondContact O-CG 3.45Å; K252-E256 PolarHBondContact O-N 2.72Å; E253-E256 PolarHBondContact O-N 3.15Å; E256-V258 VanDerWaalsContact C-N 3.35Å; E256-V258 PolarHBondContact O-N 2.86Å; E256-V259 PolarHBondContact O-N 2.91Å; E256-E260 PolarHBondContact O-N 2.95Å
257A98.3Very high97.1Very high0 Ų048.6 Ų48.60%025%0.248CC..Hα-helixtrans-67-33.5176.400000112.7E253 A254 A255 S261 F300 L304E253-A257 WeakPolarHBondContact O-CB 3.27Å; E253-A257 PolarHBondContact O-N 3.35Å; A254-A257 PolarHBondContact O-N 2.78Å; A255-A257 VanDerWaalsContact C-N 3.32Å; A255-A257 PolarHBondContact O-N 2.74Å; A257-S261 VanDerWaalsContact O-CB 3.31Å; A257-S261 WeakPolarHBondContact O-CB 3.47Å; A257-S261 PolarHBondContact O-N 3.34Å; A257-S261 PolarHBondContact O-OG 2.73Å; A257-F300 HydrophobicContact CB-CE1 3.85Å; A257-L304 VanDerWaalsContact C-CD2 3.43Å; A257-L304 HydrophobicContact CB-CD2 3.41Å; A257-L304 VanDerWaalsContact CB-CD2 3.41Å
258V98.3Very high97.2Very high0 Ų047.1 Ų47.10%024%0.244CC..Hα-helixtrans-65.8-45.2171.9170.60000110.7L187 L190 I191 A194 A254 A255 E256 E260 S261 L262 L304L187-V258 HydrophobicContact CD1-CG2 3.93Å; L190-V258 HydrophobicContact CB-CG2 4.28Å; I191-V258 HydrophobicContact CG1-CG1 4.24Å; I191-V258 HydrophobicContact CG1-CG2 3.95Å; A194-V258 HydrophobicContact CB-CG1 3.72Å; A254-V258 WeakPolarHBondContact O-CG2 3.25Å; A254-V258 PolarHBondContact O-N 3.13Å; A255-V258 WeakPolarHBondContact O-CB 3.49Å; A255-V258 PolarHBondContact O-N 3.21Å; E256-V258 VanDerWaalsContact C-N 3.35Å; E256-V258 PolarHBondContact O-N 2.86Å; V258-E260 VanDerWaalsContact C-N 3.33Å; V258-E260 PolarHBondContact O-N 3.09Å; V258-S261 PolarHBondContact O-N 2.99Å; V258-L262 HydrophobicContact CG1-CD1 3.95Å; V258-L262 PolarHBondContact O-N 3.19Å; V258-L304 HydrophobicContact CG2-CD1 4.06Å; V258-L304 HydrophobicContact CG2-CD2 3.91Å; V258-L304 HydrophobicContact CG2-CG 4.41Å
259V97.8Very high97.2Very high28 Ų2849.2 Ų49.217%0.1726%0.258CS..Hα-helixtrans-58.7-45.8178.6165.70000111L204 A255 E256 S263 F264 V268L204-V259 HydrophobicContact CD2-CG2 3.82Å; A255-V259 WeakPolarHBondContact O-CG2 3.23Å; A255-V259 PolarHBondContact O-N 2.74Å; E256-V259 PolarHBondContact O-N 2.91Å; V259-S263 WeakPolarHBondContact O-CA 3.49Å; V259-S263 PolarHBondContact O-N 3.45Å; V259-S263 VanDerWaalsContact O-N 3.09Å; V259-F264 HydrophobicContact CG1-CB 4.18Å; V259-F264 HydrophobicContact CG1-CD1 4.2Å; V259-F264 WeakPolarHBondContact CG1-O 3.24Å; V259-F264 HydrophobicContact CG2-CD1 3.96Å; V259-F264 PolarHBondContact O-N 3.43Å; V259-V268 HydrophobicContact CG2-CG2 3.87Å
260E97.6Very high97.2Very high115 Ų11550.9 Ų50.954%0.53726%0.262SS..Hα-helixtrans-60.4-49.2174.1-175.4-176.4-17500111.3E256 V258 L262 S263 R301E256-E260 PolarHBondContact O-N 2.95Å; V258-E260 VanDerWaalsContact C-N 3.33Å; V258-E260 PolarHBondContact O-N 3.09Å; E260-L262 VanDerWaalsContact C-N 3.34Å; E260-L262 PolarHBondContact O-N 2.98Å; E260-S263 PolarHBondContact O-N 2.93Å; E260-R301 IonicContact OE2-CZ 3.58Å; E260-R301 IonicContact OE2-NE 4Å; E260-R301 IonicContact OE2-NH1 2.64Å; E260-R301 PolarHBondContact OE2-NH1 3.04Å
261S97.9Very high97.1Very high10 Ų1052.3 Ų52.37%0.0727%0.268CS..Hα-helixtrans-61.9-38.4-174.9-630000113.4A257 V258 K305 C308A257-S261 VanDerWaalsContact O-CB 3.31Å; A257-S261 WeakPolarHBondContact O-CB 3.47Å; A257-S261 PolarHBondContact O-N 3.34Å; A257-S261 PolarHBondContact O-OG 2.73Å; V258-S261 PolarHBondContact O-N 2.99Å; S261-K305 WeakPolarHBondContact O-CD 3.38Å; S261-K305 WeakPolarHBondContact O-CE 3.35Å; S261-C308 VanDerWaalsContact CB-SG 3.58Å
262L96.7Very high96.9Very high16 Ų1656.9 Ų56.98%0.08430%0.297CS..THydrogen-bonded Turntrans-89.9-0.8177.6-67173.6000113.3A194 Q198 V258 E260 F264 C308 V312A194-L262 HydrophobicContact CB-CD1 3.63Å; Q198-L262 PolarHBondContact NE2-O 3.34Å; Q198-L262 PolarHBondContact OE1-O 3.31Å; V258-L262 HydrophobicContact CG1-CD1 3.95Å; V258-L262 PolarHBondContact O-N 3.19Å; E260-L262 VanDerWaalsContact C-N 3.34Å; E260-L262 PolarHBondContact O-N 2.98Å; L262-F264 PolarHBondContact O-N 2.98Å; L262-C308 HydrophobicContact CD2-CB 3.77Å; L262-C308 HydrophobicContact CG-CB 4.19Å; L262-V312 HydrophobicContact CD2-CG2 3.7Å
263S96.3Very high96.7Very high74 Ų7456.7 Ų56.752%0.51731%0.308SS..THydrogen-bonded Turntrans54.133.7-173-61.40000113.3V259 E260V259-S263 WeakPolarHBondContact O-CA 3.49Å; V259-S263 PolarHBondContact O-N 3.45Å; V259-S263 VanDerWaalsContact O-N 3.09Å; E260-S263 PolarHBondContact O-N 2.93Å
264F96.6Very high96.3Very high10 Ų1057.2 Ų57.24%0.04431%0.309CS..  trans-65.9134.9179177.8-106.5000110.6A197 Q198 K202 L204 V259 L262 G266 V268A197-F264 HydrophobicContact CB-CE2 3.77Å; A197-F264 HydrophobicContact CB-CZ 3.99Å; Q198-F264 HydrophobicContact CB-CD2 3.82Å; Q198-F264 HydrophobicContact CB-CE2 4.31Å; Q198-F264 HydrophobicContact CG-CD2 4.31Å; K202-F264 WeakPolarHBondContact O-CZ 3.45Å; L204-F264 HydrophobicContact CB-CE1 3.77Å; L204-F264 HydrophobicContact CB-CZ 4.01Å; V259-F264 HydrophobicContact CG1-CB 4.18Å; V259-F264 HydrophobicContact CG1-CD1 4.2Å; V259-F264 WeakPolarHBondContact CG1-O 3.24Å; V259-F264 HydrophobicContact CG2-CD1 3.96Å; V259-F264 PolarHBondContact O-N 3.43Å; L262-F264 PolarHBondContact O-N 2.98Å; F264-G266 VanDerWaalsContact CE1-O 3.25Å; F264-G266 WeakPolarHBondContact CE1-O 3.31Å; F264-G266 VanDerWaalsContact CZ-CA 3.41Å; F264-V268 HydrophobicContact CE1-CG2 4.44Å
265K94.3Very high95.6Very high189 Ų18960.5 Ų60.582%0.82234%0.337SS*.  trans-116.4-0.2-176.6-57.3-59.1178.7-171.60114
266G95.1Very high94.9Very high39 Ų3963.4 Ų63.440%0.40235%0.352SS..SBendtrans-79.2176.6178.500000112.8F264F264-G266 VanDerWaalsContact CE1-O 3.25Å; F264-G266 WeakPolarHBondContact CE1-O 3.31Å; F264-G266 VanDerWaalsContact CZ-CA 3.41Å
267E96.8Very high94.2Very high136 Ų13660.7 Ų60.764%0.63635%0.348SS*.  trans-70.4146.1175.2-175.7-178-170.900111.5P203 L204 V269P203-E267 CarbonylContact C-O 3.56Å; P203-E267 VanDerWaalsContact CA-O 3.25Å; P203-E267 WeakPolarHBondContact CA-O 3.39Å; P203-E267 HydrophobicContact CB-CB 4.23Å; L204-E267 PolarHBondContact N-O 2.69Å; E267-V269 HydrophobicContact CG-CG2 3.91Å
268V97.6Very high93.4Very high48 Ų4862.2 Ų62.229%0.29136%0.355SS..EExtended strand (participates in β ladder)trans-109.3120.5171.6-175.50000108.6L204 V206 V259 F264 Y270L204-V268 HydrophobicContact CB-CG2 4.47Å; L204-V268 HydrophobicContact CD2-CG1 4.44Å; L204-V268 HydrophobicContact CD2-CG2 4.4Å; L204-V268 HydrophobicContact CG-CG1 4.5Å; L204-V268 WeakPolarHBondContact O-CA 3.47Å; V206-V268 HydrophobicContact CG2-CG1 3.94Å; V259-V268 HydrophobicContact CG2-CG2 3.87Å; F264-V268 HydrophobicContact CE1-CG2 4.44Å; V268-Y270 HydrophobicContact CG1-CE2 4.11Å
269V97.4Very high92.9Very high54 Ų5467.7 Ų67.733%0.32738%0.379SS..EExtended strand (participates in β ladder)trans-116.9137.5-176.9-178.90000109.8P203 L204 V205 V206 E267P203-V269 HydrophobicContact CB-CG2 3.94Å; L204-V269 PolarHBondContact O-N 2.84Å; V205-V269 CarbonylContact C-O 3.52Å; V205-V269 WeakPolarHBondContact CA-O 3.45Å; V206-V269 PolarHBondContact N-O 3.04Å; E267-V269 HydrophobicContact CG-CG2 3.91Å
270Y96.8Very high92.4Very high61 Ų6169.8 Ų69.824%0.23939%0.386CS..EExtended strand (participates in β ladder)trans-103.5115.2177.4-66.8-91.5000110.2V206 K252 V268 T272V206-Y270 HydrophobicContact CB-CD1 3.79Å; V206-Y270 HydrophobicContact CB-CE1 3.88Å; V206-Y270 HydrophobicContact CG1-CD1 3.86Å; V206-Y270 HydrophobicContact CG1-CE1 3.81Å; V206-Y270 HydrophobicContact CG2-CE1 4.2Å; V206-Y270 CarbonylContact O-C 3.54Å; V206-Y270 WeakPolarHBondContact O-CA 3.31Å; K252-Y270 HydrophobicContact CB-CE1 4.39Å; K252-Y270 WeakPolarHBondContact CG-OH 3.39Å; V268-Y270 HydrophobicContact CG1-CE2 4.11Å; Y270-T272 PolarHBondContact O-N 3.18Å
271D94.9Very high92.1Very high43 Ų4366.3 Ų66.323%0.2337%0.369CS..EExtended strand (participates in β ladder)trans-8790.7176.7179.26.5000110.2V205 V206 G208 S273 K274V205-D271 HydrophobicContact CG1-CB 3.81Å; V206-D271 PolarHBondContact O-N 3.17Å; G208-D271 PolarHBondContact N-O 3.35Å; D271-S273 PolarHBondContact O-N 3.19Å; D271-S273 WeakPolarHBondContact OD1-CB 3.39Å; D271-S273 PolarHBondContact OD1-N 3.32Å; D271-S273 PolarHBondContact OD1-OG 3.25Å; D271-S273 PolarHBondContact OD2-OG 2.94Å; D271-K274 PolarHBondContact O-N 2.8Å; D271-K274 WeakPolarHBondContact OD2-CG 3.45Å
272T93.9Very high92Very high109 Ų10966.3 Ų66.367%0.66937%0.368SS*.THydrogen-bonded Turntrans-73.6-0.6178.760.80000113.7Y270Y270-T272 PolarHBondContact O-N 3.18Å
273S93.2Very high92.1Very high96 Ų9665.5 Ų65.567%0.67136%0.364SS*.THydrogen-bonded Turntrans-73.7-17.5169.879.50000112.2D271D271-S273 PolarHBondContact O-N 3.19Å; D271-S273 WeakPolarHBondContact OD1-CB 3.39Å; D271-S273 PolarHBondContact OD1-N 3.32Å; D271-S273 PolarHBondContact OD1-OG 3.25Å; D271-S273 PolarHBondContact OD2-OG 2.94Å
274K88.8Confident92.2Very high85 Ų8562.9 Ų62.937%0.3735%0.346SS..SBendtrans-91.8146.3177-58.7-64.2-176.2-176.20111.1W207 D271W207-K274 HydrophobicContact CB-CB 3.8Å; W207-K274 HydrophobicContact CB-CG 3.98Å; W207-K274 HydrophobicContact CD2-CG 4.16Å; W207-K274 HydrophobicContact CG-CB 4.16Å; W207-K274 HydrophobicContact CG-CG 3.76Å; D271-K274 PolarHBondContact O-N 2.8Å; D271-K274 WeakPolarHBondContact OD2-CG 3.45Å
275A83.9Confident92.3Very high69 Ų6963 Ų6357%0.5735%0.347SS*.  trans-69.5137.5-179.100000112.6G277A275-G277 VanDerWaalsContact C-N 3.31Å; A275-G277 PolarHBondContact O-N 3.29Å
276D83.8Confident92.5Very high61 Ų6156.5 Ų56.533%0.32633%0.328SS..  trans-72.5-21.5176.1-84.1-16000113.7G208 S209 P212G208-D276 WeakPolarHBondContact CA-OD1 3.43Å; S209-D276 WeakPolarHBondContact CB-OD2 3.45Å; S209-D276 PolarHBondContact N-OD1 3.2Å; S209-D276 VanDerWaalsContact OG-CG 3.27Å; S209-D276 PolarHBondContact OG-OD1 3Å; S209-D276 PolarHBondContact OG-OD2 3.49Å; P212-D276 HydrophobicContact CG-CB 3.7Å
277G82.1Confident92.7Very high32 Ų3256.3 Ų56.333%0.3332%0.316SS..  trans68.1-157.8-167.500000112A275A275-G277 VanDerWaalsContact C-N 3.31Å; A275-G277 PolarHBondContact O-N 3.29Å
278Q82.9Confident92.8Very high32 Ų3249.9 Ų49.915%0.1529%0.286CS..  trans-66.8135.6-179.1-158.4176.215.100111D119 R214 K280D119-Q278 PolarHBondContact O-NE2 3.45Å; D119-Q278 PolarHBondContact OD1-NE2 3.3Å; R214-Q278 VanDerWaalsContact CZ-O 3.23Å; R214-Q278 PolarHBondContact NH1-O 2.97Å; R214-Q278 PolarHBondContact NH2-O 3.43Å; Q278-K280 WeakPolarHBondContact CG-O 3.49Å
279F85.8Confident92.8Very high115 Ų11550.9 Ų50.950%0.50429%0.285SS..SBendtrans-65.7-47.7-175.1-177.1-112.2000112.6S211 P212 R213 R214S211-F279 WeakPolarHBondContact O-CE2 3.28Å; P212-F279 WeakPolarHBondContact CA-O 3.25Å; R213-F279 PolarHBondContact N-O 3.2Å; R214-F279 PolarHBondContact NH1-O 3.14Å
280K88.7Confident92.9Very high72 Ų7255.9 Ų55.931%0.31330%0.304SS..  trans-131.8156.4179.1-77.3-177.3173-164.60111.7Y123 R213 Q278Y123-K280 HydrophobicContact CE1-CB 4.34Å; Y123-K280 PolarHBondContact OH-O 3.49Å; Y123-K280 VanDerWaalsContact OH-O 3.05Å; R213-K280 HydrophobicContact CB-CG 4.39Å; Q278-K280 WeakPolarHBondContact CG-O 3.49Å
281K90.6Very high93Very high41 Ų4157 Ų5718%0.17831%0.309CS..  trans-144.134.8171-68-175.5172.8178.70110.2A283K281-A283 PolarHBondContact O-N 3.44Å; K281-A283 VanDerWaalsContact O-N 3.13Å
282T96.8Very high93.2Very high10 Ų1056.6 Ų56.66%0.06131%0.307CS..  trans-60.4114.8-170.4-44.40000109.8P124 I125 E245 E248P124-T282 WeakPolarHBondContact CA-O 3.43Å; I125-T282 WeakPolarHBondContact CG1-O 3.23Å; I125-T282 PolarHBondContact N-O 2.84Å; E245-T282 HydrophobicContact CB-CG2 4.01Å; E245-T282 HydrophobicContact CG-CG2 3.97Å; E248-T282 PolarHBondContact OE1-OG1 2.85Å
283A98.2Very high93.4Very high0 Ų055 Ų550%030%0.298CS..BIsolated β-bridgetrans-108.3134.9-177.400000110.7T114 I125 T170 Q215 I240 K281T114-A283 HydrophobicContact CG2-CB 4.18Å; I125-A283 HydrophobicContact CD1-CB 4.31Å; I125-A283 HydrophobicContact CG1-CB 3.89Å; I125-A283 WeakPolarHBondContact O-CA 3.13Å; T170-A283 HydrophobicContact CG2-CB 4.12Å; Q215-A283 PolarHBondContact NE2-O 3.14Å; Q215-A283 PolarHBondContact OE1-O 2.86Å; I240-A283 HydrophobicContact CD1-CB 4.26Å; I240-A283 HydrophobicContact CG2-CB 4.04Å; K281-A283 PolarHBondContact O-N 3.44Å; K281-A283 VanDerWaalsContact O-N 3.13Å
284S98.6Very high93.6Very high18 Ų1856.6 Ų56.613%0.12630%0.299CS..  trans-79.6132.1176.9-160.60000109.9I125 E245 A286I125-S284 PolarHBondContact O-N 2.9Å; E245-S284 WeakPolarHBondContact OE1-CA 3.5Å; E245-S284 WeakPolarHBondContact OE1-CB 3.28Å; E245-S284 PolarHBondContact OE1-OG 2.93Å; S284-A286 VanDerWaalsContact C-N 3.34Å; S284-A286 PolarHBondContact OG-N 3.27Å
285N98.6Very high94.1Very high14 Ų1454.5 Ų54.58%0.07529%0.29CS..  trans-98.118.7171.270.7-2.3000112.1S242 V243 G244 K287 L288 R289S242-N285 VanDerWaalsContact O-CB 3.31Å; S242-N285 WeakPolarHBondContact O-CB 3.27Å; S242-N285 PolarHBondContact O-ND2 3Å; V243-N285 VanDerWaalsContact C-ND2 3.27Å; V243-N285 PolarHBondContact O-ND2 3.35Å; G244-N285 WeakPolarHBondContact CA-ND2 3.42Å; G244-N285 PolarHBondContact N-ND2 3.5Å; N285-K287 VanDerWaalsContact C-N 3.29Å; N285-K287 PolarHBondContact O-N 3.26Å; N285-L288 HydrophobicContact CB-CB 4.34Å; N285-L288 WeakPolarHBondContact O-CB 3.26Å; N285-L288 PolarHBondContact O-N 3.38Å; N285-R289 PolarHBondContact ND2-NE 3.27Å; N285-R289 WeakPolarHBondContact O-CG 3.42Å; N285-R289 PolarHBondContact O-N 2.98Å
286A98.8Very high94.8Very high51 Ų5158.9 Ų58.942%0.42130%0.296SS..Hα-helixtrans-53.6-44.2-17700000112.4S284 R289 Q290S284-A286 VanDerWaalsContact C-N 3.34Å; S284-A286 PolarHBondContact OG-N 3.27Å; A286-R289 PolarHBondContact O-N 3.03Å; A286-Q290 WeakPolarHBondContact O-CG 3.48Å; A286-Q290 PolarHBondContact O-N 2.81Å
287K98.8Very high95.5Very high36 Ų3657 Ų5716%0.15729%0.285CS..Hα-helixtrans-60.3-49175.4-171.7-175.8-72.2-162.90111.4E127 Y233 E235 P238 I239 N285 R289 Q290 Y291E127-K287 WeakPolarHBondContact OE1-CB 3.36Å; Y233-K287 HydrophobicContact CE2-CD 4.48Å; Y233-K287 WeakPolarHBondContact OH-CD 3.33Å; Y233-K287 PolarHBondContact OH-NZ 3Å; E235-K287 IonicContact OE2-NZ 2.83Å; E235-K287 PolarHBondContact OE2-NZ 2.89Å; P238-K287 PolarHBondContact O-NZ 3.05Å; I239-K287 HydrophobicContact CB-CD 4.17Å; I239-K287 HydrophobicContact CD1-CD 4.1Å; I239-K287 HydrophobicContact CD1-CG 4.07Å; I239-K287 HydrophobicContact CG1-CB 4.48Å; I239-K287 HydrophobicContact CG1-CD 3.93Å; I239-K287 HydrophobicContact CG1-CG 4.2Å; N285-K287 VanDerWaalsContact C-N 3.29Å; N285-K287 PolarHBondContact O-N 3.26Å; K287-R289 VanDerWaalsContact C-N 3.3Å; K287-R289 PolarHBondContact O-N 3.34Å; K287-Q290 WeakPolarHBondContact O-CB 3.47Å; K287-Q290 PolarHBondContact O-N 2.83Å; K287-Q290 VanDerWaalsContact O-N 3.17Å; K287-Y291 HydrophobicContact CG-CD2 4.27Å; K287-Y291 HydrophobicContact CG-CE2 4.17Å; K287-Y291 WeakPolarHBondContact O-CD2 3.24Å; K287-Y291 PolarHBondContact O-N 3.4Å
288L98.8Very high96.3Very high1 Ų156.9 Ų56.91%0.00528%0.278CS..Hα-helixtrans-56.8-42.9175.817462.7000112.1L225 I239 L241 N285 Q290 Y291 L292 F297L225-L288 HydrophobicContact CD1-CD2 4.11Å; L225-L288 HydrophobicContact CD2-CD1 3.92Å; I239-L288 HydrophobicContact CD1-CB 4.44Å; L241-L288 HydrophobicContact CD2-CD1 4.1Å; L241-L288 HydrophobicContact CD2-CD2 4.39Å; N285-L288 HydrophobicContact CB-CB 4.34Å; N285-L288 WeakPolarHBondContact O-CB 3.26Å; N285-L288 PolarHBondContact O-N 3.38Å; L288-Q290 VanDerWaalsContact C-N 3.31Å; L288-Q290 PolarHBondContact O-N 3.17Å; L288-Y291 PolarHBondContact O-N 2.88Å; L288-L292 HydrophobicContact CD1-CB 4.27Å; L288-L292 HydrophobicContact CD1-CD1 3.97Å; L288-L292 HydrophobicContact CD1-CG 4.46Å; L288-L292 PolarHBondContact O-N 3.13Å; L288-F297 HydrophobicContact CD2-CZ 3.89Å
289R98.6Very high97Very high69 Ų6959 Ų5926%0.2629%0.294SS..Hα-helixtrans-69.1-26.2179.8-67-60.3-173.1-174.81.5113.6N285 A286 K287 P293 F295N285-R289 PolarHBondContact ND2-NE 3.27Å; N285-R289 WeakPolarHBondContact O-CG 3.42Å; N285-R289 PolarHBondContact O-N 2.98Å; A286-R289 PolarHBondContact O-N 3.03Å; K287-R289 VanDerWaalsContact C-N 3.3Å; K287-R289 PolarHBondContact O-N 3.34Å; R289-P293 VanDerWaalsContact O-CA 3.27Å; R289-P293 WeakPolarHBondContact O-CA 3.45Å; R289-P293 WeakPolarHBondContact O-CB 3.33Å; R289-P293 WeakPolarHBondContact O-CD 3.38Å; R289-F295 PolarHBondContact NH1-O 3.07Å
290Q98.6Very high97.6Very high158 Ų15855.8 Ų55.874%0.73828%0.28SS*.Hα-helixtrans-67.2-39170.8-71.1172.20.100111.7A286 K287 L288A286-Q290 WeakPolarHBondContact O-CG 3.48Å; A286-Q290 PolarHBondContact O-N 2.81Å; K287-Q290 WeakPolarHBondContact O-CB 3.47Å; K287-Q290 PolarHBondContact O-N 2.83Å; K287-Q290 VanDerWaalsContact O-N 3.17Å; L288-Q290 VanDerWaalsContact C-N 3.31Å; L288-Q290 PolarHBondContact O-N 3.17Å
291Y98.8Very high98.1Very high84 Ų8458.2 Ų58.233%0.32929%0.288SS..Hα-helixtrans-80.2-40.5178.8-81.3-77.2000113.5W228 Y233 E235 I239 K287 L288W228-Y291 AromaticContact CH2-CD1 3.82Å; W228-Y291 HydrophobicContact CH2-CD1 3.82Å; W228-Y291 HydrophobicContact CH2-CD2 4.17Å; W228-Y291 AromaticContact CH2-CG 3.57Å; W228-Y291 HydrophobicContact CH2-CG 3.57Å; W228-Y291 AromaticContact CZ2-CD1 3.66Å; W228-Y291 HydrophobicContact CZ2-CD1 3.66Å; W228-Y291 AromaticContact CZ2-CG 3.77Å; W228-Y291 HydrophobicContact CZ2-CG 3.77Å; Y233-Y291 HydrophobicContact CD2-CD2 4.44Å; Y233-Y291 HydrophobicContact CD2-CE1 4.34Å; Y233-Y291 HydrophobicContact CD2-CE2 4.03Å; Y233-Y291 AromaticContact CD2-CZ 3.96Å; Y233-Y291 HydrophobicContact CE2-CD2 4.23Å; Y233-Y291 AromaticContact CE2-CE2 3.59Å; Y233-Y291 HydrophobicContact CE2-CE2 3.59Å; Y233-Y291 AromaticContact CE2-CZ 3.8Å; E235-Y291 WeakPolarHBondContact OE1-CE2 3.37Å; E235-Y291 PolarHBondContact OE1-OH 2.95Å; I239-Y291 HydrophobicContact CD1-CD2 4.23Å; K287-Y291 HydrophobicContact CG-CD2 4.27Å; K287-Y291 HydrophobicContact CG-CE2 4.17Å; K287-Y291 WeakPolarHBondContact O-CD2 3.24Å; K287-Y291 PolarHBondContact O-N 3.4Å; L288-Y291 PolarHBondContact O-N 2.88Å
292L98.7Very high98.4Very high36 Ų3661 Ų6119%0.18830%0.301CS..  trans-133.167.1-172.4-66.3179.1000110.8L225 W228 L288 D294 F295L225-L292 HydrophobicContact CD2-CD1 3.68Å; W228-L292 HydrophobicContact CB-CD1 4.49Å; W228-L292 HydrophobicContact CD2-CD1 3.62Å; W228-L292 HydrophobicContact CD2-CD2 4.45Å; W228-L292 HydrophobicContact CD2-CG 4.17Å; W228-L292 HydrophobicContact CE3-CD1 3.89Å; W228-L292 HydrophobicContact CG-CD1 3.86Å; W228-L292 HydrophobicContact CG-CD2 4.44Å; W228-L292 HydrophobicContact CZ2-CG 4.29Å; W228-L292 HydrophobicContact CZ3-CD1 4.46Å; L288-L292 HydrophobicContact CD1-CB 4.27Å; L288-L292 HydrophobicContact CD1-CD1 3.97Å; L288-L292 HydrophobicContact CD1-CG 4.46Å; L288-L292 PolarHBondContact O-N 3.13Å; L292-D294 PolarHBondContact O-N 3.4Å; L292-F295 HydrophobicContact CB-CB 3.97Å; L292-F295 PolarHBondContact O-N 2.72Å
293P98.3Very high98.5Very high75 Ų7560.5 Ų60.549%0.48730%0.298SS..THydrogen-bonded Turntrans-61.1-33.3-176.924-34000112.5R289R289-P293 VanDerWaalsContact O-CA 3.27Å; R289-P293 WeakPolarHBondContact O-CA 3.45Å; R289-P293 WeakPolarHBondContact O-CB 3.33Å; R289-P293 WeakPolarHBondContact O-CD 3.38Å
294D98.3Very high98.5Very high129 Ų12960.5 Ų60.569%0.6930%0.298SS*.THydrogen-bonded Turntrans-92.8-3.3-174-61.4-48.3000114.3L292 K296L292-D294 PolarHBondContact O-N 3.4Å; D294-K296 PolarHBondContact O-N 2.89Å
295F98.5Very high98.5Very high41 Ų4163.6 Ų63.618%0.1831%0.309CS..PPolyproline II helixtrans-60.6123178.6-176.1-88.9000110.5D221 R224 L225 R289 L292 F297D221-F295 HydrophobicContact CB-CE1 4.44Å; D221-F295 HydrophobicContact CB-CZ 4.27Å; R224-F295 HydrophobicContact CB-CE2 4.22Å; R224-F295 HydrophobicContact CB-CZ 4.49Å; L225-F295 HydrophobicContact CD1-CE1 4.04Å; L225-F295 HydrophobicContact CD1-CZ 4.19Å; L225-F295 HydrophobicContact CD2-CD1 4.11Å; L225-F295 HydrophobicContact CD2-CD2 3.83Å; L225-F295 HydrophobicContact CD2-CE1 4.02Å; L225-F295 HydrophobicContact CD2-CE2 3.72Å; L225-F295 HydrophobicContact CD2-CG 4.03Å; L225-F295 HydrophobicContact CD2-CZ 3.82Å; L225-F295 HydrophobicContact CG-CE1 4.03Å; L225-F295 HydrophobicContact CG-CE2 4.02Å; L225-F295 HydrophobicContact CG-CZ 3.71Å; R289-F295 PolarHBondContact NH1-O 3.07Å; L292-F295 HydrophobicContact CB-CB 3.97Å; L292-F295 PolarHBondContact O-N 2.72Å; F295-F297 HydrophobicContact CD1-CD1 4.33Å; F295-F297 HydrophobicContact CD1-CD2 4.06Å; F295-F297 HydrophobicContact CD1-CE1 4.16Å; F295-F297 AromaticContact CD1-CE2 3.87Å; F295-F297 HydrophobicContact CD1-CE2 3.87Å; F295-F297 HydrophobicContact CD1-CG 4.27Å; F295-F297 AromaticContact CD1-CZ 3.93Å; F295-F297 HydrophobicContact CD1-CZ 3.93Å; F295-F297 AromaticContact CE1-CD1 3.69Å; F295-F297 HydrophobicContact CE1-CD1 3.69Å; F295-F297 HydrophobicContact CE1-CD2 4.22Å; F295-F297 AromaticContact CE1-CE1 3.65Å; F295-F297 HydrophobicContact CE1-CE1 3.65Å; F295-F297 HydrophobicContact CE1-CE2 4.18Å; F295-F297 AromaticContact CE1-CG 3.98Å; F295-F297 HydrophobicContact CE1-CG 3.98Å; F295-F297 AromaticContact CE1-CZ 3.9Å; F295-F297 HydrophobicContact CE1-CZ 3.9Å
296K98.4Very high98.5Very high162 Ų16266.2 Ų66.270%0.70432%0.321SS*.PPolyproline II helixtrans-101.7120.6178.4-57.4-54.3179.4-171.30109D294D294-K296 PolarHBondContact O-N 2.89Å
297F98.7Very high98.5Very high22 Ų2263.8 Ų63.810%0.09630%0.301CS..PPolyproline II helixtrans-73.8150.7170.1-69-86000110I217 D221 L225 S242 V243 L288 F295I217-F297 HydrophobicContact CD1-CE1 3.87Å; I217-F297 HydrophobicContact CG1-CE1 4.24Å; D221-F297 HydrophobicContact CB-CD1 4.02Å; L225-F297 HydrophobicContact CD1-CE1 3.84Å; L225-F297 HydrophobicContact CD1-CZ 4.05Å; S242-F297 VanDerWaalsContact O-CZ 3.25Å; S242-F297 WeakPolarHBondContact O-CZ 3.46Å; V243-F297 HydrophobicContact CG1-CB 4.16Å; V243-F297 HydrophobicContact CG1-CD1 3.89Å; V243-F297 HydrophobicContact CG1-CD2 4.22Å; V243-F297 HydrophobicContact CG1-CE1 4.34Å; V243-F297 HydrophobicContact CG1-CG 3.82Å; L288-F297 HydrophobicContact CD2-CZ 3.89Å; F295-F297 HydrophobicContact CD1-CD1 4.33Å; F295-F297 HydrophobicContact CD1-CD2 4.06Å; F295-F297 HydrophobicContact CD1-CE1 4.16Å; F295-F297 AromaticContact CD1-CE2 3.87Å; F295-F297 HydrophobicContact CD1-CE2 3.87Å; F295-F297 HydrophobicContact CD1-CG 4.27Å; F295-F297 AromaticContact CD1-CZ 3.93Å; F295-F297 HydrophobicContact CD1-CZ 3.93Å; F295-F297 AromaticContact CE1-CD1 3.69Å; F295-F297 HydrophobicContact CE1-CD1 3.69Å; F295-F297 HydrophobicContact CE1-CD2 4.22Å; F295-F297 AromaticContact CE1-CE1 3.65Å; F295-F297 HydrophobicContact CE1-CE1 3.65Å; F295-F297 HydrophobicContact CE1-CE2 4.18Å; F295-F297 AromaticContact CE1-CG 3.98Å; F295-F297 HydrophobicContact CE1-CG 3.98Å; F295-F297 AromaticContact CE1-CZ 3.9Å; F295-F297 HydrophobicContact CE1-CZ 3.9Å
298T98.7Very high98.5Very high28 Ų2862.1 Ų62.117%0.17229%0.294CS..PPolyproline II helixtrans-65.8129.5170.5-55.90000108.4Y218 D221 F300 Q302 A303Y218-T298 HydrophobicContact CD1-CG2 4.16Å; Y218-T298 HydrophobicContact CE1-CG2 4.46Å; D221-T298 PolarHBondContact OD1-N 2.58Å; D221-T298 PolarHBondContact OD1-OG1 3.07Å; D221-T298 WeakPolarHBondContact OD2-CB 3.35Å; D221-T298 PolarHBondContact OD2-N 2.84Å; D221-T298 PolarHBondContact OD2-OG1 3.15Å; T298-F300 PolarHBondContact O-N 3.49Å; T298-Q302 HydrophobicContact CG2-CB 4.34Å; T298-Q302 HydrophobicContact CG2-CG 4.23Å; T298-A303 HydrophobicContact CG2-CB 3.9Å
299P98.5Very high98.5Very high76 Ų7665.6 Ų65.649%0.49431%0.312SS..PPolyproline II helixtrans-54.2133.6178.8-26.834.5000112R301 Q302 A303P299-R301 VanDerWaalsContact C-N 3.33Å; P299-R301 PolarHBondContact O-N 3.43Å; P299-Q302 HydrophobicContact CB-CB 4.23Å; P299-Q302 WeakPolarHBondContact O-CA 3.39Å; P299-Q302 WeakPolarHBondContact O-CB 3.27Å; P299-Q302 PolarHBondContact O-N 3.35Å; P299-A303 PolarHBondContact O-N 3.08Å
300F98.4Very high98.5Very high48 Ų4864.5 Ų64.521%0.21131%0.308CS..Hα-helixtrans-50.9-47.2-172.8174-110.7000113.8F173 L187 F216 V249 A254 A257 T298 Q302 A303 L304F173-F300 HydrophobicContact CE1-CD2 4.17Å; F173-F300 HydrophobicContact CE1-CE2 4.21Å; F173-F300 HydrophobicContact CZ-CD2 4.03Å; F173-F300 HydrophobicContact CZ-CE2 4.15Å; L187-F300 HydrophobicContact CD2-CE2 4.09Å; L187-F300 HydrophobicContact CD2-CZ 4.43Å; F216-F300 HydrophobicContact CB-CD2 4.1Å; F216-F300 HydrophobicContact CB-CE2 3.86Å; F216-F300 AromaticContact CD2-CE2 3.91Å; F216-F300 HydrophobicContact CD2-CE2 3.91Å; F216-F300 HydrophobicContact CD2-CZ 4.31Å; F216-F300 AromaticContact CG-CE2 3.99Å; F216-F300 HydrophobicContact CG-CE2 3.99Å; V249-F300 HydrophobicContact CG2-CE1 4.34Å; V249-F300 HydrophobicContact CG2-CZ 4.29Å; A254-F300 HydrophobicContact CB-CZ 4.25Å; A257-F300 HydrophobicContact CB-CE1 3.85Å; T298-F300 PolarHBondContact O-N 3.49Å; F300-Q302 VanDerWaalsContact C-N 3.32Å; F300-Q302 PolarHBondContact O-N 3.12Å; F300-A303 PolarHBondContact O-N 3.3Å; F300-L304 HydrophobicContact CE1-CD2 4.26Å; F300-L304 HydrophobicContact CZ-CD2 4.11Å; F300-L304 VanDerWaalsContact O-CB 3.28Å; F300-L304 WeakPolarHBondContact O-CB 3.13Å; F300-L304 PolarHBondContact O-N 2.64Å
301R98.1Very high98.5Very high124 Ų12457 Ų5747%0.46827%0.273SS..Hα-helixtrans-64.5-35.5178.9-67.8-170.7-175.4-86-7.1112.7E260 P299 K305E260-R301 IonicContact OE2-CZ 3.58Å; E260-R301 IonicContact OE2-NE 4Å; E260-R301 IonicContact OE2-NH1 2.64Å; E260-R301 PolarHBondContact OE2-NH1 3.04Å; P299-R301 VanDerWaalsContact C-N 3.33Å; P299-R301 PolarHBondContact O-N 3.43Å; R301-K305 WeakPolarHBondContact O-CB 3.31Å; R301-K305 PolarHBondContact O-N 3.48Å
302Q98.5Very high98.5Very high99 Ų9956.1 Ų56.146%0.46328%0.277SS..Hα-helixtrans-67-53.3176.2179.4-172.2-21.500110.4T298 P299 F300 L304 K305 E306T298-Q302 HydrophobicContact CG2-CB 4.34Å; T298-Q302 HydrophobicContact CG2-CG 4.23Å; P299-Q302 HydrophobicContact CB-CB 4.23Å; P299-Q302 WeakPolarHBondContact O-CA 3.39Å; P299-Q302 WeakPolarHBondContact O-CB 3.27Å; P299-Q302 PolarHBondContact O-N 3.35Å; F300-Q302 VanDerWaalsContact C-N 3.32Å; F300-Q302 PolarHBondContact O-N 3.12Å; Q302-L304 PolarHBondContact O-N 3Å; Q302-K305 WeakPolarHBondContact O-CB 3.36Å; Q302-K305 PolarHBondContact O-N 2.97Å; Q302-K305 VanDerWaalsContact O-N 3.07Å; Q302-E306 WeakPolarHBondContact CG-OE1 3.25Å; Q302-E306 PolarHBondContact NE2-OE1 3.49Å; Q302-E306 WeakPolarHBondContact O-CG 3.48Å; Q302-E306 PolarHBondContact O-N 3.34Å
303A98.6Very high98.4Very high0 Ų058.3 Ų58.30%030%0.3CS..Hα-helixtrans-57.7-38.2178.300000112F173 Y218 T298 P299 F300 T307F173-A303 HydrophobicContact CE2-CB 3.9Å; F173-A303 HydrophobicContact CZ-CB 3.59Å; Y218-A303 HydrophobicContact CD1-CB 3.74Å; Y218-A303 HydrophobicContact CD2-CB 3.81Å; Y218-A303 HydrophobicContact CE1-CB 4.16Å; Y218-A303 HydrophobicContact CE2-CB 4.27Å; Y218-A303 HydrophobicContact CG-CB 3.54Å; T298-A303 HydrophobicContact CG2-CB 3.9Å; P299-A303 PolarHBondContact O-N 3.08Å; F300-A303 PolarHBondContact O-N 3.3Å; A303-T307 WeakPolarHBondContact O-CB 3.38Å; A303-T307 PolarHBondContact O-N 3.22Å; A303-T307 PolarHBondContact O-OG1 2.92Å
304L98.4Very high98.4Very high0 Ų057.4 Ų57.40%029%0.291CS..Hα-helixtrans-67.7-40.8176.3-174.958.8000112.3F173 L187 I191 A257 V258 F300 Q302 T307 C308F173-L304 HydrophobicContact CE2-CB 4.32Å; F173-L304 HydrophobicContact CE2-CD1 4.44Å; L187-L304 HydrophobicContact CD1-CD1 4.04Å; L187-L304 HydrophobicContact CD2-CD1 4.01Å; L187-L304 HydrophobicContact CG-CD1 4.01Å; I191-L304 HydrophobicContact CD1-CD1 3.87Å; I191-L304 HydrophobicContact CG1-CD1 4.31Å; A257-L304 VanDerWaalsContact C-CD2 3.43Å; A257-L304 HydrophobicContact CB-CD2 3.41Å; A257-L304 VanDerWaalsContact CB-CD2 3.41Å; V258-L304 HydrophobicContact CG2-CD1 4.06Å; V258-L304 HydrophobicContact CG2-CD2 3.91Å; V258-L304 HydrophobicContact CG2-CG 4.41Å; F300-L304 HydrophobicContact CE1-CD2 4.26Å; F300-L304 HydrophobicContact CZ-CD2 4.11Å; F300-L304 VanDerWaalsContact O-CB 3.28Å; F300-L304 WeakPolarHBondContact O-CB 3.13Å; F300-L304 PolarHBondContact O-N 2.64Å; Q302-L304 PolarHBondContact O-N 3Å; L304-T307 PolarHBondContact O-N 3.07Å; L304-C308 WeakPolarHBondContact O-CB 3.4Å; L304-C308 PolarHBondContact O-N 2.71Å; L304-C308 PolarHBondContact O-SG 2.92Å
305K98.5Very high98.4Very high82 Ų8253.2 Ų53.236%0.35727%0.266SS..Hα-helixtrans-61-48.5174.9-178.360.5167.872.50111.2S261 R301 Q302 T307 C308 D309S261-K305 WeakPolarHBondContact O-CD 3.38Å; S261-K305 WeakPolarHBondContact O-CE 3.35Å; R301-K305 WeakPolarHBondContact O-CB 3.31Å; R301-K305 PolarHBondContact O-N 3.48Å; Q302-K305 WeakPolarHBondContact O-CB 3.36Å; Q302-K305 PolarHBondContact O-N 2.97Å; Q302-K305 VanDerWaalsContact O-N 3.07Å; K305-T307 VanDerWaalsContact C-N 3.29Å; K305-T307 PolarHBondContact O-N 3.31Å; K305-C308 PolarHBondContact O-N 2.66Å; K305-D309 IonicContact NZ-OD1 3.3Å; K305-D309 PolarHBondContact NZ-OD1 3.28Å; K305-D309 IonicContact NZ-OD2 3.89Å; K305-D309 PolarHBondContact NZ-OD2 2.99Å; K305-D309 WeakPolarHBondContact O-CB 3.07Å; K305-D309 VanDerWaalsContact O-CG 3.23Å; K305-D309 PolarHBondContact O-N 3.38Å
306E98.6Very high98.3Very high69 Ų6958 Ų5832%0.32229%0.293SS..Hα-helixtrans-58.3-41.9176.4-69.6172.5-162.700111.7Y218 Q302 D309 W310Y218-E306 WeakPolarHBondContact CE1-OE2 3.33Å; Y218-E306 PolarHBondContact OH-OE2 2.92Å; Q302-E306 WeakPolarHBondContact CG-OE1 3.25Å; Q302-E306 PolarHBondContact NE2-OE1 3.49Å; Q302-E306 WeakPolarHBondContact O-CG 3.48Å; Q302-E306 PolarHBondContact O-N 3.34Å; E306-D309 PolarHBondContact O-N 3.41Å; E306-W310 WeakPolarHBondContact O-CB 3.38Å; E306-W310 PolarHBondContact O-N 2.94Å
307T98.7Very high98.1Very high1 Ų155.7 Ų55.71%0.00629%0.293CS..Hα-helixtrans-66.3-43.1177.4-55.90000112.1F173 G174 F179 I191 A303 L304 K305 W310 F311F173-T307 HydrophobicContact CD2-CG2 4.41Å; G174-T307 WeakPolarHBondContact CA-OG1 3.22Å; F179-T307 HydrophobicContact CE1-CG2 4.43Å; F179-T307 HydrophobicContact CZ-CG2 4.21Å; I191-T307 HydrophobicContact CD1-CG2 3.88Å; A303-T307 WeakPolarHBondContact O-CB 3.38Å; A303-T307 PolarHBondContact O-N 3.22Å; A303-T307 PolarHBondContact O-OG1 2.92Å; L304-T307 PolarHBondContact O-N 3.07Å; K305-T307 VanDerWaalsContact C-N 3.29Å; K305-T307 PolarHBondContact O-N 3.31Å; T307-W310 PolarHBondContact O-N 3.35Å; T307-F311 WeakPolarHBondContact O-CB 3.49Å; T307-F311 PolarHBondContact O-N 3.41Å
308C98.5Very high98Very high0 Ų055 Ų550%029%0.292CS..Hα-helixtrans-61.5-46.2175.4-71.30000111.2S261 L262 L304 K305 W310 F311 V312S261-C308 VanDerWaalsContact CB-SG 3.58Å; L262-C308 HydrophobicContact CD2-CB 3.77Å; L262-C308 HydrophobicContact CG-CB 4.19Å; L304-C308 WeakPolarHBondContact O-CB 3.4Å; L304-C308 PolarHBondContact O-N 2.71Å; L304-C308 PolarHBondContact O-SG 2.92Å; K305-C308 PolarHBondContact O-N 2.66Å; C308-W310 VanDerWaalsContact C-N 3.35Å; C308-W310 PolarHBondContact O-N 3.2Å; C308-F311 PolarHBondContact O-N 2.93Å; C308-V312 WeakPolarHBondContact O-CG2 3.4Å; C308-V312 PolarHBondContact O-N 2.82Å
309D98.5Very high97.7Very high74 Ų7459.6 Ų59.640%0.39631%0.306SS..Hα-helixtrans-61.6-44.6178.6-70.3-18.2000111.2K305 E306 F311 V312 A313K305-D309 IonicContact NZ-OD1 3.3Å; K305-D309 PolarHBondContact NZ-OD1 3.28Å; K305-D309 IonicContact NZ-OD2 3.89Å; K305-D309 PolarHBondContact NZ-OD2 2.99Å; K305-D309 WeakPolarHBondContact O-CB 3.07Å; K305-D309 VanDerWaalsContact O-CG 3.23Å; K305-D309 PolarHBondContact O-N 3.38Å; E306-D309 PolarHBondContact O-N 3.41Å; D309-F311 VanDerWaalsContact C-N 3.34Å; D309-F311 PolarHBondContact O-N 3.27Å; D309-V312 PolarHBondContact O-N 2.92Å; D309-A313 VanDerWaalsContact O-CB 3.32Å; D309-A313 WeakPolarHBondContact O-CB 3.1Å; D309-A313 PolarHBondContact O-N 3.11Å
310W98.6Very high97.3Very high46 Ų4661.1 Ų61.117%0.17430%0.304CS..Hα-helixtrans-59.3-45.8174.3-177.591.6000111.5P175 H176 F179 E306 T307 C308 A313 N314 A318P175-W310 HydrophobicContact CB-CB 4.39Å; P175-W310 HydrophobicContact CB-CD2 3.66Å; P175-W310 HydrophobicContact CB-CE3 4.26Å; P175-W310 HydrophobicContact CB-CG 3.67Å; P175-W310 HydrophobicContact CG-CB 4.11Å; P175-W310 HydrophobicContact CG-CD2 4.35Å; P175-W310 HydrophobicContact CG-CG 3.89Å; H176-W310 HydrophobicContact CB-CH2 4.46Å; H176-W310 AromaticContact CE1-CZ2 3.51Å; H176-W310 AromaticContact CG-CZ2 3.76Å; H176-W310 VanDerWaalsContact N-CH2 3.26Å; H176-W310 VanDerWaalsContact N-CZ3 3.31Å; H176-W310 AromaticContact ND1-CH2 3.83Å; H176-W310 AromaticContact ND1-CZ2 3.34Å; H176-W310 VanDerWaalsContact ND1-CZ2 3.34Å; H176-W310 WeakPolarHBondContact ND1-CZ2 3.41Å; F179-W310 HydrophobicContact CE2-CE3 4.29Å; F179-W310 AromaticContact CE2-CZ3 3.73Å; F179-W310 HydrophobicContact CE2-CZ3 3.73Å; F179-W310 HydrophobicContact CZ-CE3 4.35Å; F179-W310 HydrophobicContact CZ-CZ3 4.24Å; E306-W310 WeakPolarHBondContact O-CB 3.38Å; E306-W310 PolarHBondContact O-N 2.94Å; T307-W310 PolarHBondContact O-N 3.35Å; C308-W310 VanDerWaalsContact C-N 3.35Å; C308-W310 PolarHBondContact O-N 3.2Å; W310-A313 PolarHBondContact O-N 2.91Å; W310-N314 HydrophobicContact CD2-CB 4.36Å; W310-N314 HydrophobicContact CH2-CB 4.17Å; W310-N314 HydrophobicContact CZ2-CB 3.96Å; W310-N314 HydrophobicContact CZ3-CB 4.48Å; W310-N314 PolarHBondContact NE1-ND2 2.87Å; W310-N314 VanDerWaalsContact O-CB 3.3Å; W310-N314 WeakPolarHBondContact O-CB 3.27Å; W310-N314 PolarHBondContact O-N 2.57Å; W310-N314 PolarHBondContact O-ND2 3.3Å; W310-A318 HydrophobicContact CH2-CB 4.2Å; W310-A318 HydrophobicContact CZ3-CB 4.05Å
311F98.4Very high97.3Very high0 Ų061.8 Ų61.80%031%0.309CS..Hα-helixtrans-62.8-43.8-179.8178.8-107.2000112.2F179 I191 H192 Y195 T307 C308 D309 N314 Y315 A318F179-F311 HydrophobicContact CB-CD2 4.1Å; F179-F311 HydrophobicContact CB-CE2 3.48Å; F179-F311 VanDerWaalsContact CB-CE2 3.48Å; F179-F311 HydrophobicContact CB-CZ 4.14Å; F179-F311 AromaticContact CD1-CD2 3.41Å; F179-F311 HydrophobicContact CD1-CD2 3.41Å; F179-F311 VanDerWaalsContact CD1-CD2 3.41Å; F179-F311 AromaticContact CD1-CE2 3.63Å; F179-F311 HydrophobicContact CD1-CE2 3.63Å; F179-F311 AromaticContact CD1-CG 3.95Å; F179-F311 HydrophobicContact CD1-CG 3.95Å; F179-F311 HydrophobicContact CD1-CZ 4.3Å; F179-F311 AromaticContact CD2-CD2 3.7Å; F179-F311 HydrophobicContact CD2-CD2 3.7Å; F179-F311 AromaticContact CD2-CE2 3.92Å; F179-F311 HydrophobicContact CD2-CE2 3.92Å; F179-F311 HydrophobicContact CE1-CB 3.99Å; F179-F311 AromaticContact CE1-CD2 3.65Å; F179-F311 HydrophobicContact CE1-CD2 3.65Å; F179-F311 HydrophobicContact CE1-CE2 4.34Å; F179-F311 AromaticContact CE1-CG 3.91Å; F179-F311 HydrophobicContact CE1-CG 3.91Å; F179-F311 AromaticContact CE2-CD2 3.94Å; F179-F311 HydrophobicContact CE2-CD2 3.94Å; F179-F311 AromaticContact CG-CD2 3.45Å; F179-F311 HydrophobicContact CG-CD2 3.45Å; F179-F311 VanDerWaalsContact CG-CD2 3.45Å; F179-F311 AromaticContact CG-CE2 3.39Å; F179-F311 HydrophobicContact CG-CE2 3.39Å; F179-F311 HydrophobicContact CG-CG 4.42Å; F179-F311 HydrophobicContact CG-CZ 4.31Å; F179-F311 HydrophobicContact CZ-CB 4.16Å; F179-F311 AromaticContact CZ-CD2 3.92Å; F179-F311 HydrophobicContact CZ-CD2 3.92Å; F179-F311 HydrophobicContact CZ-CG 4.36Å; I191-F311 HydrophobicContact CG2-CB 4.1Å; I191-F311 HydrophobicContact CG2-CD1 3.57Å; I191-F311 HydrophobicContact CG2-CE1 4.18Å; I191-F311 HydrophobicContact CG2-CG 3.92Å; H192-F311 HydrophobicContact CB-CE1 4.35Å; H192-F311 HydrophobicContact CB-CZ 3.92Å; H192-F311 AromaticContact CD2-CZ 3.63Å; H192-F311 AromaticContact CG-CZ 3.78Å; Y195-F311 HydrophobicContact CD1-CE1 4.24Å; Y195-F311 HydrophobicContact CD2-CE1 4.44Å; Y195-F311 AromaticContact CG-CE1 3.93Å; Y195-F311 HydrophobicContact CG-CE1 3.93Å; T307-F311 WeakPolarHBondContact O-CB 3.49Å; T307-F311 PolarHBondContact O-N 3.41Å; C308-F311 PolarHBondContact O-N 2.93Å; D309-F311 VanDerWaalsContact C-N 3.34Å; D309-F311 PolarHBondContact O-N 3.27Å; F311-N314 CarbonylContact O-C 3.52Å; F311-N314 PolarHBondContact O-N 3.02Å; F311-Y315 HydrophobicContact CD1-CD2 4.43Å; F311-Y315 AromaticContact CE1-CD2 3.66Å; F311-Y315 HydrophobicContact CE1-CD2 3.66Å; F311-Y315 AromaticContact CE1-CE2 3.9Å; F311-Y315 HydrophobicContact CE1-CE2 3.9Å; F311-Y315 HydrophobicContact CE2-CD2 4.02Å; F311-Y315 HydrophobicContact CE2-CE2 4.36Å; F311-Y315 AromaticContact CZ-CD2 3.44Å; F311-Y315 HydrophobicContact CZ-CD2 3.44Å; F311-Y315 VanDerWaalsContact CZ-CD2 3.44Å; F311-Y315 AromaticContact CZ-CE2 3.51Å; F311-Y315 HydrophobicContact CZ-CE2 3.51Å; F311-Y315 VanDerWaalsContact O-CA 3.23Å; F311-Y315 WeakPolarHBondContact O-CA 3.43Å; F311-Y315 PolarHBondContact O-N 3.23Å; F311-A318 HydrophobicContact CD2-CB 3.98Å; F311-A318 HydrophobicContact CE2-CB 4Å
312V97.9Very high97.2Very high67 Ų6758.5 Ų58.541%0.40630%0.301SS..Hα-helixtrans-62.6-46.7176.8171.80000110.7Y195 L262 C308 D309 N314Y195-V312 HydrophobicContact CD2-CG2 3.88Å; Y195-V312 HydrophobicContact CE2-CB 4.45Å; Y195-V312 HydrophobicContact CE2-CG1 4.31Å; Y195-V312 HydrophobicContact CE2-CG2 3.94Å; L262-V312 HydrophobicContact CD2-CG2 3.7Å; C308-V312 WeakPolarHBondContact O-CG2 3.4Å; C308-V312 PolarHBondContact O-N 2.82Å; D309-V312 PolarHBondContact O-N 2.92Å; V312-N314 VanDerWaalsContact C-N 3.28Å; V312-N314 PolarHBondContact O-N 2.69Å
313A98.3Very high97.2Very high81 Ų8156.3 Ų56.367%0.66929%0.292SS*.Hα-helixtrans-67.9-26.6-179.100000113.3D309 W310D309-A313 VanDerWaalsContact O-CB 3.32Å; D309-A313 WeakPolarHBondContact O-CB 3.1Å; D309-A313 PolarHBondContact O-N 3.11Å; W310-A313 PolarHBondContact O-N 2.91Å
314N98.1Very high97.1Very high56 Ų5659.6 Ų59.630%0.29931%0.309SS..THydrogen-bonded Turntrans-117.719.4-173.9-62.4-87.3000113.2W310 F311 V312 D316 T317 A318W310-N314 HydrophobicContact CD2-CB 4.36Å; W310-N314 HydrophobicContact CH2-CB 4.17Å; W310-N314 HydrophobicContact CZ2-CB 3.96Å; W310-N314 HydrophobicContact CZ3-CB 4.48Å; W310-N314 PolarHBondContact NE1-ND2 2.87Å; W310-N314 VanDerWaalsContact O-CB 3.3Å; W310-N314 WeakPolarHBondContact O-CB 3.27Å; W310-N314 PolarHBondContact O-N 2.57Å; W310-N314 PolarHBondContact O-ND2 3.3Å; F311-N314 CarbonylContact O-C 3.52Å; F311-N314 PolarHBondContact O-N 3.02Å; V312-N314 VanDerWaalsContact C-N 3.28Å; V312-N314 PolarHBondContact O-N 2.69Å; N314-D316 PolarHBondContact O-N 2.6Å; N314-T317 CarbonylContact O-C 3.53Å; N314-T317 PolarHBondContact O-N 2.71Å; N314-T317 PolarHBondContact O-OG1 3.27Å; N314-T317 VanDerWaalsContact O-OG1 3.05Å; N314-A318 WeakPolarHBondContact O-CB 3.05Å; N314-A318 PolarHBondContact O-N 3.05Å
315Y97Very high97Very high41 Ų4163.3 Ų63.316%0.16133%0.328CS..THydrogen-bonded Turntrans-52.2-38-170-177.7-102.8000113.7H192 Y195 F311 T317 K320H192-Y315 AromaticContact CD2-CE2 3.79Å; H192-Y315 AromaticContact NE2-CE2 3.57Å; H192-Y315 AromaticContact NE2-CZ 3.77Å; H192-Y315 PolarHBondContact NE2-OH 3.28Å; H192-Y315 VanDerWaalsContact NE2-OH 3.11Å; Y195-Y315 AromaticContact CD1-CD2 3.8Å; Y195-Y315 HydrophobicContact CD1-CD2 3.8Å; Y195-Y315 AromaticContact CD1-CE2 3.48Å; Y195-Y315 HydrophobicContact CD1-CE2 3.48Å; Y195-Y315 VanDerWaalsContact CD1-CE2 3.48Å; Y195-Y315 HydrophobicContact CE1-CD1 4.07Å; Y195-Y315 AromaticContact CE1-CD2 3.49Å; Y195-Y315 HydrophobicContact CE1-CD2 3.49Å; Y195-Y315 VanDerWaalsContact CE1-CD2 3.49Å; Y195-Y315 HydrophobicContact CE1-CE1 4Å; Y195-Y315 AromaticContact CE1-CE2 3.42Å; Y195-Y315 HydrophobicContact CE1-CE2 3.42Å; Y195-Y315 VanDerWaalsContact CE1-CE2 3.42Å; Y195-Y315 AromaticContact CE1-CG 3.83Å; Y195-Y315 HydrophobicContact CE1-CG 3.83Å; Y195-Y315 AromaticContact CE1-CZ 3.69Å; Y195-Y315 HydrophobicContact CG-CE2 4.46Å; Y195-Y315 AromaticContact CZ-CD2 3.99Å; F311-Y315 HydrophobicContact CD1-CD2 4.43Å; F311-Y315 AromaticContact CE1-CD2 3.66Å; F311-Y315 HydrophobicContact CE1-CD2 3.66Å; F311-Y315 AromaticContact CE1-CE2 3.9Å; F311-Y315 HydrophobicContact CE1-CE2 3.9Å; F311-Y315 HydrophobicContact CE2-CD2 4.02Å; F311-Y315 HydrophobicContact CE2-CE2 4.36Å; F311-Y315 AromaticContact CZ-CD2 3.44Å; F311-Y315 HydrophobicContact CZ-CD2 3.44Å; F311-Y315 VanDerWaalsContact CZ-CD2 3.44Å; F311-Y315 AromaticContact CZ-CE2 3.51Å; F311-Y315 HydrophobicContact CZ-CE2 3.51Å; F311-Y315 VanDerWaalsContact O-CA 3.23Å; F311-Y315 WeakPolarHBondContact O-CA 3.43Å; F311-Y315 PolarHBondContact O-N 3.23Å; Y315-T317 VanDerWaalsContact C-N 3.35Å; Y315-K320 HydrophobicContact CE1-CD 4.42Å; Y315-K320 VanDerWaalsContact CE1-NZ 3.3Å; Y315-K320 HydrophobicContact CE2-CD 4.24Å; Y315-K320 PolarHBondContact O-NZ 3.36Å
316D96.3Very high96.9Very high142 Ų14262.1 Ų62.176%0.75933%0.326SS*.THydrogen-bonded Turntrans-73.3-27.3-177.4-67.2-29.9000113.4N314N314-D316 PolarHBondContact O-N 2.6Å
317T95.5Very high96.8Very high114 Ų11461.6 Ų61.670%0.69933%0.327SS*.THydrogen-bonded Turntrans-102.2-13.7179.757.40000113.7N314 Y315N314-T317 CarbonylContact O-C 3.53Å; N314-T317 PolarHBondContact O-N 2.71Å; N314-T317 PolarHBondContact O-OG1 3.27Å; N314-T317 VanDerWaalsContact O-OG1 3.05Å; Y315-T317 VanDerWaalsContact C-N 3.35Å
318A95.4Very high96.6Very high8 Ų866.2 Ų66.27%0.06635%0.351CS..SBendtrans-65143.7177.500000110.8F179 W310 F311 N314 K320F179-A318 HydrophobicContact CD2-CB 4.39Å; W310-A318 HydrophobicContact CH2-CB 4.2Å; W310-A318 HydrophobicContact CZ3-CB 4.05Å; F311-A318 HydrophobicContact CD2-CB 3.98Å; F311-A318 HydrophobicContact CE2-CB 4Å; N314-A318 WeakPolarHBondContact O-CB 3.05Å; N314-A318 PolarHBondContact O-N 3.05Å; A318-K320 PolarHBondContact O-N 2.89Å
319R93.1Very high96.5Very high124 Ų12471.8 Ų71.847%0.46838%0.381SS..BIsolated β-bridgetrans-69.9118.6174.1-65166.561.7-154.70.3108.1F179F179-R319 WeakPolarHBondContact CA-O 3.29Å; F179-R319 WeakPolarHBondContact CB-O 3.26Å; F179-R319 PolarHBondContact N-O 2.71Å
320K90.7Very high96.3Very high108 Ų10871.5 Ų71.547%0.4738%0.379SS..  trans-144.50-173.365.9-170.6179-159.40111.5S180 Y315 A318S180-K320 WeakPolarHBondContact CA-OXT 3.46Å; S180-K320 VanDerWaalsContact CB-OXT 3.32Å; S180-K320 WeakPolarHBondContact CB-OXT 3.39Å; S180-K320 PolarHBondContact OG-OXT 2.76Å; Y315-K320 HydrophobicContact CE1-CD 4.42Å; Y315-K320 VanDerWaalsContact CE1-NZ 3.3Å; Y315-K320 HydrophobicContact CE2-CD 4.24Å; Y315-K320 PolarHBondContact O-NZ 3.36Å; A318-K320 PolarHBondContact O-N 2.89Å

Retrieved 320 of 320 residues in 226.4 ms (Link to these results)

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